Complete list of publications (.pdf) | Google Scholar | ORCID

Complete list of publications also on: AK Waldvogel | Johannes Gutenberg Universität Mainz

Recent Publications

2024

2023

Full publications list

Selected MPI CEC publications

• Tesch, M. F., Neugebauer, S., Narangoda, P. V., Schlögl, R.,  Mechler, A. K. (2023). The rotating disc electrode: measurement protocols and reproducibility in the evaluation of catalysts for the oxygen evolution reaction. ENERGY ADVANCES, 2(11), 1823-1830. doi:10.1039/d3ya00340j.
• Blume, R., Calvet, W., Ghafari, A., Mayer, T., Knop-Gericke, A.,  Schögl, R. (2023). Structural and Chemical Properties of NiOx Thin Films: Oxygen Vacancy Formation in O-2 Atmosphere. ChemPhysChem, e202300231, pp. 1-11. doi:10.1002/cphc.202300231.
• Rohner, C., Pratsch, C., Schlögl, R.,  Lunkenbein, T. (2023). Structural Identification and Observation of Dose Rate-Dependent Beam-Induced Structural Changes of Micro- and Nanoplastic Particles by Pair Distribution Function Analysis in the Transmission Electron Microscope (ePDF). Microscopy and Microanalysis, (29), 1566-1578. doi:10.1093/micmic/ozad087.
• Mom, R. V., Sandoval-Diaz, L.-E., Gao, D., Chuang, C.-H., Carbonio, E. A., Jones, T. E., Arrigo, R., Ivanov, D., Hävecker, M., Roldan Cuenya, B., Schlögl, R., Lunkenbein, T., Knop-Gericke, A.,Velasco Vélez, J. (2023). Assessment of the Degradation Mechanisms of Cu Electrodes during the CO2 Reduction Reaction. ACS Applied Materials and Interfaces, (15), 30052-30059. doi:10.1021/acsami.2c23007.
• Carbonio, E. A., Sulzmann, F., Klyushin, A. Y., Hävecker, M., Piccinin, S., Knop-Gericke, A., Schlögl, R., Jones, T. E. (2023). Adjusting the Chemical Reactivity of Oxygen for Propylene Epoxidation on Silver by Rational Design: The Use of an Oxyanion and Cl. ACS Catalysis, 13(9), 5906-5913. doi:10.1021/acscatal.3c00297.
• Velasco-Velez, J. J., Poon, J., Gao, D., Chuang, C.-H., Bergmann, A., Jones, T. E., Haw, S.-C., Chen, J.-M., Carbonio, E., Mom, R. V., Ivanov, D., Arrigo, R., Cuenya, B. R., Knop-Gericke, A.,  Schlögl, R. (2023). Cationic Copper Species Stabilized by Zinc during the Electrocatalytic Reduction of CO2 Revealed by In Situ X-Ray Spectroscopy. Advanced Sustainable Systems, 2200453, pp. 1-7. doi:10.1002/adsu.202200453.
• Esquius, J. R., Morgan, D. J., Siller, G. A., Gianolio, D., Aramini, M., Lahn, L., Kasian, O., Kondrat, S. A., Schlögl, R., Hutchings, G. J., Arrigo, R.,  Freakley, S. J. (2023). Lithium-Directed Transformation of Amorphous Iridium (Oxy)hydroxides To Produce Active Water Oxidation Catalysts. The Journal of Physical Chemistry A, (145), 6398-6409. doi:10.1021/jacs.2c13567.
• Foppa, L., Rüther, F., Geske, M., Koch, G., Girgsdies, F., Kube, P., Carey, S. J., Hävecker, M., Timpe, O., V. Tarasov, A., Scheffler, M., Rosowski, F., Schlögl, R.,  Trunschke, A. (2023). Data-Centric Heterogeneous Catalysis: Identifying Rules and Materials Genes of Alkane Selective Oxidation. Journal of the American Chemical Society, (145), 3427-3442. doi:10.1021/jacs.2c11117.
• Song, F., Straten, J. W., Lin, Y.-M., Ding, Y., Schlögl, R., Heumann, S., Mechler, A. K. (2023). Binder-Free N-Functionalized Carbon Electrodes for Oxygen Evolution Reaction. ChemElectroChem,(10) e202201075, pp. 1-10. doi:10.1002/celc.202201075.
• Kube, P., Dong, J., Sanchez Bastardo, N., Ruland, H., Schlögl, R., Margraf, J. T., Reuter, K.,  Trunschke, A. (2023). Green synthesis of propylene oxide directly from propane. Nature Communications, 13(1): 7504, pp. 1-8. doi:10.1038/s41467-022-34967-2.
• Klingenhof, M., Hauke, P., Kroschel, M., Wang, X., Merzdorf, T., Binninger, C., Thanh, T. N., Paul, B., Teschner, D., Schlögl, R., Strasser, P. (2022). Anion-Tuned Layered Double Hydroxide Anodes for Anion Exchange Membrane Water Electrolyzers: From Catalyst Screening to Performance. ACS Energy Letters, (7), 3415-3422. doi:10.1021/acsenergylett.2c01820.
• Righi, G., Plescher, J., Schmidt, F.-P., Campen, R. K., Fabris, S., Knop-Gericke, A., Schlögl, R., Jones, T. E., Teschner, D., Piccinin, S. (2022). On the origin of multihole oxygen evolution in haematite photoanodes. Nature Catalysis, (5), 888-899. doi:10.1038/s41929-022-00845-9.
• Kang, S., Im, C., Spanos, I., Schlögl, R., Ham, K., Lim, A., Jacobs, Timo , Lee, Jaeyoung (2022). Durable Nickel-Iron (Oxy)hydroxide Oxygen Evolution Electrocatalysts through Surface Functionalization with Tetraphenylporphyrin. (61): e202214541, pp. 1-10. doi:10.1002/anie.202214541.
• Žeradjanin, A. R., Narangoda, P., Masa, J.,  Schlögl, R. (2022). What Controls Activity Trends of Electrocatalytic Hydrogen Evolution Reaction?-Activation Energy Versus Frequency Factor. ACS CATALYSIS, (19), 11597-11605. doi:10.1021/acscatal.2c02964.
• Ghampson, I. T., Lundin, S.-T.-B., Vargheese, V., Kobayashi, Y., Huff, G. S., Schlögl, R., Trunschke, A.,  Oyama, S. T. (2022). Methane selective oxidation on metal oxide catalysts at low temperatures with O2 using an NO/NO2 oxygen atom shuttle. Journal of Catalysis, (408), 401-412. doi:10.1016/j.jcat.2021.07.014.
• Streibel, V., Velasco-Velez, J. J., Teschner, D., Carbonio, E. A., Knop-Gericke, A., Schlögl, R.,  Jones, T. E. (2022). Merging operando and computational X-ray spectroscopies to study the oxygen evolution reaction. Current Opinion in Electrochemistry, (35) 101039,  doi:10.1016/j.coelec.2022.101039.
• Choudhury, S. H., Ding, Y., Yi, Y., Rohner, C., Frandsen, W., Lunkenbein, T., Greiner, M., Schlögl, R., Heumann, S. (2022). Oxidation Behavior of Glassy Carbon in Acidic Electrolyte. ChemElectroChem, (9): e202200637, pp. 1-7. doi:10.1002/celc.202200637.
• Deerberg, G., Oles, M., Schlögl, R. (2022). Carbon2Chem (R) - A Key Building Block for Climate Protection. SI, 94(10), 1387-1387. doi:10.1002/cite.202271002.
• Türk, H., Götsch, T., Schmidt, F.-P., Hammud, A., Ivanov, D., de Haart, L. G. J., Vinke, I. C., Eichel, R.-A., Schlögl, R., Reuter, K., Knop-Gericke, A., Lunkenbein, T.,  Scheurer, C. (2022). Sr Surface Enrichment in Solid Oxide Cells - Approaching the Limits of EDX Analysis by Multivariate Statistical Analysis and Simulations. ChemCatChem, (14): e202200300, pp. 1-13. doi:10.1002/cctc.202200300.
• Hegen, O., Salazar Gomez, J. I., Gruenwald, C., Rettke, A., Sojka, M., Klucken, C., Pickenbrock, J., Filipp, J., Schlögl, R.,  Ruland, H. (2022). Bridging the Analytical Gap Between Gas Treatment and Reactor Plants in Carbon2Chem (R). CHEMIE INGENIEUR TECHNIK, (94), 1405-1412. doi:10.1002/cite.202200015.
• Ristig, S., Poschmann, M., Folke, J., Gomez-Capiro, O., Chen, Z., Sanchez-Bastardo, N., Schlögl, R., Heumann, S.,  Ruland, H. (2022). Ammonia Decomposition in the Process Chain for a Renewable Hydrogen Supply. Chemie-Ingenieur-Technik, (94), 1413-1425. doi:10.1002/cite.202200003.
• Lin, Y., Yu, L., Tang, L., Song, F., Schlögl, R., Heumann, S. (2022). In Situ Identification and Time-Resolved Observation of the Interfacial State and Reactive Intermediates on a Cobalt Oxide Nanocatalyst for the Oxygen Evolution Reaction. ACS Catalysis, 12(9), 5345-5355. doi:10.1021/acscatal.1c05598.
• Haase, F. T., Rabe, A., Schmidt, F.-P., Herzog, A., Jeon, H. S., Frandsen, W., Narangoda, P. V., Spanos, I., Ortega, K. F., Timoshenko, J., Lunkenbein, T., Behrens, M., Bergmann, A., Schlögl, R.,  Cuenya, B. R. (2022). Role of Nanoscale Inhomogeneities in Co2FeO4 Catalysts during the Oxygen Evolution Reaction. Journal of the American Chemical Society, 144(27), 12007-12019. doi:10.1021/jacs.2c00850.
• Papakonstantinou, G., Spanos, I., Dam, A. P., Schlögl, R., Sundmacher, K. (2022). Electrochemical evaluation of the de-/re-activation of oxygen evolving Ir oxide. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 24(23), 14579-14591. doi:10.1039/d2cp00828a.
• Sandoval-Diaz, L. E., Schlögl, R., Lunkenbein, T. (2022). Quo Vadis Dry Reforming of Methane?-A Review on Its Chemical, Environmental, and Industrial Prospects. Catalysts, 12(5): 465. doi:10.3390/catal12050465.
• Schlögl, R. (2022). Interfacial catalytic materials; challenge for inorganic synthetic chemistry. ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES, (xx), xx-xx. doi:10.1515/znb-2022-0070.
• Velasco Vélez, J., Bernsmeier, D., Jones, T. E., Zeller, P., Carbonio, E., Chuang, C.-H., Falling, L. J., Streibel, V., Mom V, R., Hammud, A., Hävecker, M., Arrigo, R., Stotz, E., Lunkenbein, T., Knop-Gericke, A., Krähnert, R.,  Schlögl, R. (2022). The rise of electrochemical NAPXPS operated in the soft X-ray regime exemplified by the oxygen evolution reaction on IrOx electrocatalysts. Faraday Discussions, (236), 103-125. doi:10.1039/d1fd00114k.
• Kenmoe, S., Douma, D. H., Raji, A. T., M'Passi-Mabiala, B., Goetsch, T., Girgsdies, F., Knop-Gericke, A., Schlögl, R.,  Spohr, E. (2022). X-ray Absorption Near-Edge Structure (XANES) at the O K-Edge of Bulk Co3O4: Experimental and Theoretical Studies. Nanomaterials, 12(6): 921, pp. 1-10. doi:10.3390/nano12060921.
• Codeco, C. F. S., Klyushin, A. Y., Carbonio, E. A., Knop-Gericke, A., Schlögl, R., Jones, T., Rocha, T. C. R. (2022). Insights into the electronic structure of hydroxyl on Ag(110) under near ambient conditions. Physical Chemistry Chemical Physics, 24(15), 8832-8838. doi:10.1039/d1cp02929k.
• Schlögl, R. (2022). Chemical Batteries with CO2. Angewandte Chemie, International Edition in English, (61): e202007397, pp. 1-23. doi:10.1002/anie.202007397.
• Arrigo, R., Blume, R., Streibel,V., Genovese, C., Roldan, A., Schuster, M. E., Ampelli, C., Perathoner, S., Velasco Vélez, J., Hävecker, M., Knop-Gericke, A., Schlögl, R.,  Centi, G. (2022). Dynamics at Polarized Carbon Dioxide-Iron Oxyhydroxide Interfaces Unveil the Origin of Multicarbon Product Formation. ACS Catalysis, (12), 411-430. doi:10.1021/acscatal.1c04296.
• Hegen, O., Salazar Gomez, J. I., Schlögl, R., Ruland, H. (2022). The potential of NO+ and O-2(+center dot) in switchable reagent ion proton transfer reaction time-of-flight mass spectrometry. Mass Spectrometry Reviews, e21770. doi:10.1002/mas.21770.
• Folke, J., Dembele, K., Girgsdies, F., Song, H., Eckert, R., Reitmeier, S., Reitzmann, A., Schlögl, R., Lunkenbein, T., Ruland, H. (2022). Promoter effect on the reduction behavior of wuestite-based catalysts for ammonia synthesis. Catalysis Today, (387) 12-22. doi:10.1016/j.cattod.2021.03.013.
• Wang, Y., Rosowski, F., Schlögl, R., Trunschke, A. (2022). Oxygen Exchange on Vanadium Pentoxide. The Journal of Physical Chemistry C, 126(7), 3443-3456. doi:10.1021/acs.jpcc.2c00174.
• Lange, T., Reichenberger, S., Ristig, S., Rohe, M., Strunk, J., Barcikowski, S., Schlögl, R. (2022). Zinc sulfide for photocatalysis: White angel or black sheep? Progress in Materials Science, 124: 100865. doi:10.1016/j.pmatsci.2021.100865.
• Sanchez-Bastardo, N., Schlögl, R.,  Ruland, H. (2021). Response to Comment on "Methane Pyrolysis for Zero-Emission Hydrogen Production: A Potential Bridge Technology from Fossil Fuels to a Renewable and Sustainable Hydrogen Economy". Industrial and Engineering Chemistry Research, 60(48), 17795-17796. doi:10.1021/acs.iecr.1c04435.
• Schlögl, R. (2021). Chemical Batteries with CO2. Angewandte Chemie, International Edition in English, (60), 2-25. doi:10.1002/anie.202007397.
• Dreyer, M., Cruz, D., Hagemann, U., Zeller, P., Heidelmann, M., Salamon, S., Landers,J., Rabe,A., Ortega,K.F. , Najafishirtari,S., Wende,H., Hartmann,N., Knop-Gericke,A., Schlögl,R., Behrens,M.  (2021) The Effect of Water on the 2-Propanol Oxidation Activity of Co-Substituted LaFe1-CoxO3 Perovskites. SI, (27) 17127 - 17144 doi:10.1002/chem.202102791.
• Narangoda, P., Spanos, I., Masa, J., Schlögl, R., Zeradjanin, A. R. (2021) Electrocatalysis Beyond 2020: How to Tune the Preexponential Frequency Factor. ChemElectroChem, (8), 1-9. doi:10.1002/celc.202101278.
• Schlögl, R. (2021) Material Science for catalysis: Quo vadis? Zeitschrift für anorganische und allgemeine Chemie, (647) 1998-2000. doi:10.1002/zaac.202100277.
• Ronge, E., Ohms, J., Roddatis, V., Jones, T., Sulzmann, F., Knop-Gericke, A., Schlögl. R., Kurz, P.,Jooss, C., Skorupska, K. (2021) Operation of calcium-birnessite water-oxidation anodes: interactions of the catalyst with phosphate buffer anions. Sustainable Energy & Fuels, (5) 5535-5547. doi:10.1039/d1se01076j.
• Koch, G., Hävecker, M., Kube, P., Tarasov, A., Schlögl, R., Trunschke, A. (2021). The Influence of the Chemical Potential on Defects and Function of Perovskites in Catalysis. Frontiers in Chemistry, 9, 746229-746229. doi:10.3389/fchem.2021.746229.
• Zeradjanin, A. R., Narangoda, P., Spanos, I., Masa, J.,  Schlögl, R. (2021). How to minimise destabilising effect of gas bubbles on water splitting electrocatalysts? CURRENT OPINION IN ELECTROCHEMISTRY, 30: 100797. doi:10.1016/j.coelec.2021.100797.
• Salazar Gomez, J. I., Sojka, M., Klucken, C., Schlögl, R.,  Ruland, H. (2021). Determination of trace compounds and artifacts in nitrogen background measurements by proton transfer reaction time-of-flight mass spectrometry under dry and humid conditions. Journal of Mass Spectrometry, 56(8): e4777, pp. 1-22. doi:10.1002/jms.4777.
• Sanchez-Bastardo, N., Schlögl, R.,  Ruland, H. (2021). Methane Pyrolysis for Zero-Emission Hydrogen Production: A Potential Bridge Technology from Fossil Fuels to a Renewable and Sustainable Hydrogen Economy. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 60(32), 11855-11881. doi:10.1021/acs.iecr.1c01679.
• Türk, H., Schmidt, F. P., Götsch, T., Girgsdies, F., Hammud, A., Ivanov, D., Vinke, I.,de Haart, L.G.J.,Eichel, R.A., Reuter, K., Schlögl, R., Knop-Gericke, A., Scheurer, C., Lunkenbein, T. (2021). Complexions at the Electrolyte/Electrode Interface in Solid Oxide Cells. Advanced Materials Interfaces, 8 (18): 2100967, pp. 1-9. doi:10.1002/admi.202100967.
• Ronge, E., Ohms, J., Roddatis, V., Jones, T., Sulzmann, F., Knop-Gericke, A., Schlögl, R., Kurz, P., Jooss, C., Skorupska, K. (2021). Operation of calcium-birnessite water-oxidation anodes: interactions of the catalyst with phosphate buffer anions. Sustainable Energy & Fuels (5) 5535-5547. doi:10.1039/d1se01076j.
• Foppa, L., Ghiringhelli, L. M., Girgsdies, F., Hashagen, M., Kube, P., Hävecker, M., Carey, S., Tarasov, A., Kraus, P., Rosowski, F., Schlögl, R., Trunschke, A., Scheffler, M. (2021) Materials genes of heterogeneous catalysis from clean experiments and artificial intelligence. MRS Bulletin (46) 1016-1026. doi:10.1557/s43577-021-00165-6.
• Velasco Vélez, J., Carbonio, E. A., Chuang, C.-H., Hsu, C.-J., Lee, J.-F., Arrigo, R., Hävecker, M., Wang, R., Plodinec, M., Wamg, F.R., Centeno, A., Zurutuza, A., Falling, L.J., Mom, V., Hofmann, S., Schlögl, R., Knop-Gericke, A., Jones, T.,(2021). Surface Electron-Hole Rich Species Active in the Electrocatalytic Water Oxidation. Journal of the American Chemical Society, 143(32) 12524-12534 . doi:10.1021/jacs.1c01655.
• Zeradjanin, A. R., Narangoda, P., Spanos, I., Masa, J., Schlögl, R. (2021). Expanding the frontiers of hydrogen evolution electrocatalysis & ndash;searching for the origins of electrocatalytic activity in the anomalies of the conventional model. ELECTROCHIMICA ACTA, 388: 138583. doi:10.1016/j.electacta.2021.138583.
• Schlögl, R. (2021). Quo vadis carbocatalysis? Journal of Energy Chemistry, 61, 219-227. doi:10.1016/j.jechem.2021.02.024.
• Hausmann, J. N., Schlögl, R., Menezes, P. W.,  Driess, M. (2021). Is direct seawater splitting economically meaningful? Energy & Environmental Science, (14), 3679-3685. doi:10.1039/d0ee03659e.
• Hartwig, C., Schweinar, K., Jones, T. E., Beeg, S., Schmidt, F.-P., Schlögl, R., Greiner, M . (2021). Isolated Pd atoms in a silver matrix: Spectroscopic and chemical properties. The Journal of Chemical Physics, 154(18): 184703, pp. 1-10. doi:10.1063/5.0045936.
• Fan, H., Folke, J., Liu, Z., Girgsdies, F., Ruland, H., Imlau, R., Ruland,H., Heumann, S., Granwehr, J., Eichel,R.- A., Schlögl, R., Frei, E.,Xing, H. (2021) Ultrathin 2D Fe-Nanosheets Stabilized by 2D Mesoporous Silica: Synthesis and Application in Ammonia Synthesis. ACS Appl. Mater. Inerfaces, 13(25), 30187-30197. doi:10.1021/acsami.1c06771
• Huang, X., Jones, T., Federov, A., Farra, R., Coperet, C., Schlögl, R., Willinger,M.-G. (2021). Phase Coexistence and Structural Dynamics of Redox Metal Catalysts Revealed by Operando TEM. Advanced Materials,(33) 2101772, pp. 1-11. doi:10.1002/adma.202101772.
• Ding, Y., Zhang, L., Gu, Q., Spanos, I., Pfänder, N., Wu, K. H., Schlögl, R., Heumann, S. (2021). Tuning of Reciprocal Carbon-Electrode Properties for an Optimized Hydrogen Evolution. ChemSusChem, 14(12), 2547-2553. doi:10.1002/cssc.202100654.
• Pielsticker, L., Nicholls, R., Beeg, S., Hartwig, C., Klihm, G., Schlögl, R., Tougaard, S., Greiner, M.(2021). Inelastic electron scattering by the gas phase in near ambient pressure XPS measurements. Surface and Interface Analysis, (53) 605-617. doi:10.1002/sia.6947.
• Chee, S. W., Lunkenbein, T., Schlögl, R., Cuenya, B. R. (2021). In situ and operando electron microscopy in heterogeneous catalysis-insights into multi-scale chemical dynamics. Journal of Physics: Condensed Matter, 33(15): 153001, pp. 1-28. doi:10.1088/1361-648X/abddfd.
• Lange, T., Reichenberger, S., Rohe, M., Bartsch, M., Kampermann, L., Klein, J., Schlögl, R.,  Barcikowski, S. (2021). Alumina-Protected, Durable and Photostable Zinc Sulfide Particles from Scalable Atomic Layer Deposition. Advanced Functional Materials, 31(14): 2009323, pp. 1-15. doi:10.1002/adfm.202009323.
• Schlögl, R. (2021). Chemical energy storage enables the transformation of fossil energy systems to sustainability. Green Chemistry, 23(4), 1584-1593. doi:10.1039/d0gc03171b.
• Zeradjanin, A. R., Masa, J., Spanos, I., Schlögl, R. (2021). Activity and Stability of Oxides During Oxygen Evolution Reaction---From Mechanistic Controversies Toward Relevant Electrocatalytic Descriptors. Frontiers in Energy Research, 8, 613092. https://doi:10.3389/fenrg.2020.613092.
• Nong, H. N., Falling, L. J., Bergmann, A., Klingenhof, M., Tran, H. P., Spori, C., Mom, R., Timoshenko, J., Zichittella, G., Knop-Gericke, A., Piccinin, S., Perez-Ramirez, J., Cuenya, B. R., Schlögl, R., Strasser, P., Teschner, D., Jones, T. E. (2021). Key role of chemistry versus bias in electrocatalytic oxygen evolution (vol 587, pg 408, 2020). Nature, E8. https://www.nature.com/articles/s41586-020-03141-3.pdf
• Spanos, I., Masa, J., Zeradjanin, A., Schlögl, R. (2021). The Effect of Iron Impurities on Transition Metal Catalysts for the Oxygen Evolution Reaction in Alkaline Environment: Activity Mediators or Active Sites? Catalysis Letters 151, 1843-1856 https://doi.org/10.1007/s10562-020-03478-4
• Klingenhof, M., Hauke, P., Brückner, S., Dresp, S., Wolf, E., Nong, H.N., Spöri, Merzdorf, T., Bernsmeier, D., Teschner, D., Schlögl, R., Strasser, P. (2021). Modular Design of Highly Active Unitized Reversible Fuel Cell Electrocatalysts ACS Energy Letters 6(1), 177-183.   https://doi.org/10.1021/acsenergylett.0c02203
• Ruiz Esquius, J., Algara-Siller, G., Spanos, I., Freakley, S.J., Schlögl, R., Hutchings, G.J. (2020). Preparation of Solid Solution and Layered IrO_x–Ni(OH)₂ Oxygen Evolution Catalysts: Toward Optimizing Iridium Efficiency for OER ACS Catalysis 10(24), 14640-146448. https://doi.org/10.1021/acscatal.0c03866
• Boniface, M., Plodinec, M., Schlögl, R., Lunkenbein, T. (2020). Quo Vadis Micro-Electro-Mechanical Systems for the Study of Heterogeneous Catalysts Inside the Electron Microscope? Topics in Catalysis 63(15-18), 1623-1643. https://doi.org/10.1007/s11244-020-01398-6
• Nong, H.N., Falling, L.J., Bergmann, A., Klingenhof, M., Tran, H.P., Spöri, C., Mom, R., Timoshenko, J., Zichittella, G., Knop-Gericke, A., Piccinin, S., Pérez-Ramírez, J., Roldan Cuenya, B., Schlögl, R., Strasser, P., Teschner, D., Jones, T.E. (2020). Key role of chemistry versus bias in electrocatalytic oxygen evolution Nature 587, 408-413. https://doi.org/10.1038/s41586-020-2908-2
• Barrios Jiménez, A.M., Burkhardt, U., Cardoso-Gil, R., Höfer, K., Altendorf, S.G., Schlögl, R., Grin, Y., Antonyshyn, I. (2020). Hf₂B₂Ir₅: A Self-Optimizing Catalyst for the Oxygen Evolution Reaction  ACS Applied Energy Materials 3(11), 11042-11052. https://doi.org/10.1021/acsaem.0c02022
• Schlögl, R. (2020). Mobilität CO₂ neutral? Bunsen-Magazin 4, 74-78. https://bunsen.de/fileadmin/user_upload/media/Aspekte-Artikel/Aspekte_Schloegl.pdf
• Masliuk, L., Schmidt, F.-P., Hetaba, W., Plodinec, M., Auffermann, G., Hermann, K., Teschner, D., Girgsdies, F., Trunschke, A., Schlögl, R., Lunkenbein, T. (2020). Compositional Decoupling of Bulk and Surface in Open-Structured Complex Mixed Oxides The Journal of Physical Chemistry C 124(42), 23069-23077. https://doi.org/10.1021/acs.jpcc.0c04777
• Trunschke, A., Bellini, G., Boniface, M., Carey, S.J., Dong, J., Erdem, E., Foppa, L., Frandsen, W., Geske, M., Ghiringhello, L.M., Girgsdies, F., Hanna, R., Hashagen, M., Hävecker, M., Huff, G., Knop-Gericke, A., Koch, G., Kraus, P., Kröhnert, J., Kube, P., Lohr, S., Lunkenbein, T., Masliuk, L., d’Alnoncourt, R.N., Omojola, T., Pratsch, C., Richter, S., Rohner, C., Rosowski, F., Rüther, F., Scheffler, M., Schlögl, R., Tarasov, A., Teschner, D., Timpe, O., Trunschke, P., Wang, Y., Wrabetz, S. (2020). Towards Experimental Handbooks in Catalysis Topics in Catalysis 63(19-20), 1683-1699. https://doi.org/10.1007/s11244-020-01380-2
• Papakonstantinou, G., Algara-Siller, G., Teschner, D., Vidaković-Koch, T., Schlögl, R., Sundmacher, K. (2020). Degradation study of a proton exchange membrane water electrolyzer under dynamic operation conditions Applied Energy 280, 115911. https://doi.org/10.1016/j.apenergy.2020.115911
• Deeberg, G., Oles, M., Schlögl, R. (2020). Carbon2Chem^® – A Successful Cross‐Industrial Network for Sustainable Climate Protection and Preservation of Competitiveness Chemie Ingenieur Technik 92(10), 1379. https://doi.org/10.1002/cite.202071002
• Velasco-Vélez, J.J., Chuang, C.-H., Gao, D., Zhu, Q., Ivanov, D., Jeon, H.S., Arrigo, R., Mom, R.V., Stotz, E., Wu, H.-L., Jones, T.E., Roldan Cuenya, B., Knop-Gericke, A., Schlögl, R. (2020). On the activity/selectivity and phase-stability of thermally-grown copper oxides during the electrocatalytic reduction of CO₂ ACS Catalysis 10(19), 11510-11518. https://doi.org/10.1021/acscatal.0c03484
• Zeradjanin, A.R., Spanos, I., Masa, J., Rohwerder, M., Schlögl, R. (2020). Perspective on experimental evaluation of adsorption energies at solid/liquid interfaces Journal of Solid State Electrochemistry. https://doi.org/10.1007/s10008-020-04815-8
• Fuentes-Landete, V., Rasti, S., Schlögl, R., Meyer, J., Loerting, T. (2020). Calorimetric Signature of Deuterated Ice II: Turning an Endotherm to an Exotherm The Journal of Physical Chemistry Letters 11(19), 8268-8274. https://doi.org/10.1021/acs.jpclett.0c02368
• Salazar Gómez, J.I., Klucken, C., Sojka, M., von der Waydbrink, G., Schlögl, R., Ruland, H. (2020). The HüGaProp‐Container: Analytical Infrastructure for the Carbon2Chem^® Challenge Chemie Ingenieur Technik 92(10), 1514-1524. https://doi.org/10.1002/cite.202000101
• Sánchez-Bastardo, N., Schlögl, R., Ruland, H. (2020). Methane Pyrolysis for CO₂‐Free H₂ Production: A Green Process to Overcome Renewable Energies Unsteadiness Chemie Ingenieur Technik 92(10), 1596-1609. https://doi.org/10.1002/cite.202000029
• Schlögl, R. (2020). Chemische Batterien mit CO₂ Angewandte Chemie International Edition. https://doi.org/10.1002/anie.202007397
• Salazar Gómez, J.I., Takhtehfouladi, E.S., Schlögl, R., Ruland, H. (2020). Design and Implementation of a Gas Generating System for Complex Gas Mixtures and Calibration Gases Chemie Ingenieur Technik 92(10), 1574-1585. https://doi.org/10.1002/cite.202000110
• Falling, L.J., Mom, R.V., Sandoval Diaz, L.E., Nakhaie, S., Stotz, E., Ivnaov, D., Hävecker, M., Lunkenbein, T., Knop-Gericke, A., Schlögl, R., Velasco-Vélez, J.-J. (2020). Graphene-capped liquid thin films for electrochemical operando X-ray spectroscopy and scanning electron microscopy ACS Applied Materials & Interfaces 12(33), 37680-37692. https://doi.org/10.1021/acsami.0c08379
• He, J., Laudenschleger, D., Schittkowski, J., Machoke, A., Song, H., Muhler, M., Schlögl, R., Ruland, H. (2020). Influence of Contaminants in Steel Mill Exhaust Gases on Cu/ZnO/Al₂O₃ Catalysts Applied in Methanol Synthesis Chemie Ingenieur Technik 92(10), 1525-1532. https://doi.org/10.1002/cite.202000045
• Folke, M., Song, H., Schittkowski, J., Schlögl, R., Ruland, H. (2020). Oxygen Poisoning in Laboratory Testing of Iron‐Based Ammonia Synthesis Catalysts and its Potential Sources Chemie Ingenieur Technik 92(10), 1567-1573. https://doi.org/10.1002/cite.202000100
• Cao, J., Plodinec, M., Huang, X., Willinger, E., Hammud, A., Hieke, S., Beeg, S., Greogoratti, L., Clobea, C., Schlögl, R., Antonietti, M., Greiner, M., Willinger, M. (2020). In situ observation of oscillatory redox dynamics of copper Nature Communications 11, 3554. https://doi.org/10.1038/s41467-020-17346-7
• Schlögl, R. (2020). Chemisch-katalytische Konversion CO₂ und CO – Nachhaltige Kohlenstoffquellen für die Kreislaufwirtschaft 77-98. https://doi.org/10.1007/978-3-662-60649-0_6
• Hetaba, W., Klyushin, A.Y., Falling, L.J., Shin, D., Mechler, A.K., Willinger, M.-G., Schlögl, R. (2020). Investigation of Electrocatalysts Produced by a Novel Thermal Spray Deposition Method Materials 13(12), 2746. https://doi.org/10.3390/ma13122746
• Koch, G., Hävecker, M., Teschner, D., Carey, S.J., Wang, Y., Kube, P., Hetaba, W., Lunkenbein, T., Auffermann, G., Timpe, O., Rosowski, F., Schlögl, R., Trunschke, A. (2020). Surface Conditions that Constrain Alkane Oxidation on Perovskites ACS Catalysis 10(13), 7007-7020. https://doi.org/10.1021/acscatal.0c01289
• Velasco-Vélez, J.-J., Mom, R.K., Sandoval, L., Falling, L.J., Chuang, C.-H., Gao, D., Jones, T.E., Zhu, Q., Arrigo, R., Cuenya, B.R., Knop-Gericke, A., Lunkenbein, T., Schlögl, R. (2020). Revealing the active phase of copper during the electroreduction of CO₂ in aqueous electrolyte by correlating in situ X-ray spectroscopy and in situ electron microscopy ACS Energy Letters 5(6), 2106-2111. https://doi.org/10.1021/acsenergylett.0c00802
• Antonyshyn, I., Barrios Jiménez, A.M., Sichevych, O., Burkhardt, U., Veremchuk, I., Schmidt, M., Ormeci, A., Spanos, I., Tarasov, A., Teschner, D., Algara-Siller, G., Schlögl, R., Grin, Y. (2020). Al2Pt for Oxygen Evolution in Water Splitting: a Strategy for Creating Multi‐functionality in Electrocatalysis Angewandte Chemie International Edition 59(38), 16770-16776. https://doi.org/10.1002/anie.202005445
• Lamoth, M., Gries, T., Girgsdies, F., Seitz, F., Hashagan, M., Rosowski, F., Schlögl, R., Frei, E. (2020). Transition of 2‐D to 3‐D SBA‐15 by high temperature fluoride addition and its impact on the surface reactivity probed by isopropanol conversion Chemistry – A European Journal. https://doi.org/10.1002/chem.202001646
• Ding, Y., Greiner, M., Schlögl, R., Heumann, S. (2020). A Metal Free Electrode: From Biomass Derived Carbon to Hydrogen ChemSusChem 13(16), 4064-4048. https://doi.org/10.1002/cssc.202000714
• Frei, E., Gaur, A., Lichtenberg, H., Zwiener, L., Scherzer, M., Girgsdies, F., Lunkenbein, T., Schlögl, R. (2020). Cu‐Zn alloy formation as unfavored state for efficient methanol catalysts ChemCatChem 12(16), 4029-4033. https://doi.org/10.1002/cctc.202000777
• Schweinar, K., Beeg, S., Hartwig, C., Rajamathi, C.R., Kasian, O., Piccinin, S., Prieto, M.J., Tanase, L.C., Gottlob, D.M., Schmidt, T., Raabe, D., Schlögl, R., Gault, B., Jones, T.E., Greiner, M.T. (2020). Formation a 2D meta-stable oxide by differential oxidation of AgCu alloys ACS Applied Materials & Interfaces 12(20), 23595-23605. https://doi.org/10.1021/acsami.0c03963
• Heenemann, M., Millet, M-M., Girgsdies, F., Eichelbaum, M., Risse, T., Schlögl, R., Jones, T.E, Frei, E. (2020). The mechanism of interfacial CO₂ activation on Al doped Cu/ZnO ACS Catalysis 10(10), 5672-5680. https://doi.org/10.1021/acscatal.0c00574
• Lamoth, M., Jones, T., Plodinec, M., Machoke, A., Wrabetz, S., Krämer, M., Karpov, A., Rosowski, F., Piccinin, S., Schlögl, R., Frei. E. (2020). Nanocatalysts unravel the selective state of Ag ChemCatChem 12(11), 2977-2988. https://doi.org/10.1002/cctc.202000035
• Ruland, H., Song, H., Laudenschleger, D., Stürmer, S., Schmidt, S., He, J., Kähler, K., Muhler, M., Schlögl, R. (2020). CO₂ hydrogenation with Cu/ZnO/Al₂O₃: A benchmark study ChemCatChem 12(12), 3216-3222. https://doi.org/10.1002/cctc.202000195
• Sandoval-Diaz, L., Plodinec, M., Ovanov, D., Poitel, S., Hammud, A., Nerl, H.C., Schlögl, R., Lunkenbein, T. (2020). Visualizing the importance of oxide-metal phase transitions in the production of synthesis gas over Ni catalysts Journal of Energy Chemistry 50, 178-186. https://doi.org/10.1016/j.jechem.2020.03.013
• Lunkenbein, T., Masliuk, L., Plodinec, M., Algara-Siller, G., Jung, S., Jastak, M., Kube, P., Trunschke, A., Schlögl, R. (2020). Site specific and localized structural displacements in open structured multimetallic oxides Nanoscale 12(12), 6759-6766. https://doi.org/10.1039/C9NR09041J
• Plodinec, M., Nerl, H.C., Farra, R., Willinger, M.G., Stotz, E., Schlögl, R., Lunkenbein, T. (2020). Versatile Homebuilt Gas Feed and Analysis System for Operando TEM of Catalysts at Work Microscopy and Microanalysis 26(2), 220-228. https://doi.org/10.1017/S143192762000015X
• Plodinec, M., Nerl, H.C., Girgsdies, F., Schlögl, R., Lunkenbein, T. (2020). Insights into Chemical Dynamics and Their Impact on the Reactivity of Pt Nanoparticles during CO Oxidation by Operando TEM ACS Catalysis 10(5), 3183-3193. https://doi.org/10.1021/acscatal.9b03692
• Tarasov, A.V., Klyushin, A.Y., Friedrich, M., Girgsdies, F., Schlögl, R., Frei, E. (2020). Oxygen Diffusion in Cu-based Catalysts: A Probe for Metal Support Interactions Applied Catalysis A: General 594, 117460. https://doi.org/10.1016/j.apcata.2020.117460
• Carbonio, E.A., Velasco-Vélez, J.J., Schlögl, R., Knop-Gericke, A. (2020). Perspective—Outlook on Operando Photoelectron and Absorption Spectroscopy to Probe Catalysts at the Solid-Liquid Electrochemical Interface Journal of the Electrochemical Society 167(5), 054509. https://doi.org/10.1149/1945-7111/ab68d2
• Park, H., Uluca-Yazgi, B., Heumann, S., Schlögl, R., Granwehr, J., Heise, H., Schleker, P.P.M. (2020). Heteronuclear cross-relaxation effect modulated by the dynamics of N-functional groups in the solid state under ¹⁵N DP-MAS DNP Journal of Magnetic Resonance 312, 106688. https://doi.org/10.1016/j.jmr.2020.106688
• Anke, S., Falk, T., Bendt, G., Sinev, I., Hävecker, M., Antoni, H., Zegkinoglou, I., Jeon, H., Knop-Gericke, A., Schlögl, R., Cuenya, B.R., Schulz, S., Muhler, M. (2020). On the reversible deactivation of cobalt ferrite spinel nanoparticles applied in selective 2-propanol oxidation Journal of Catalysis 382, 57-68. https://doi.org/10.1016/j.jcat.2019.12.007
• Köck, E.-M., Bernard, J., Podewitz, M., Dinu, D.F., Huber, R.G., Liedl, K.R., Grothe, H., Bertel, E., Schlögl, R., Loerting, T. (2020). Alpha carbonic acid revisited: Carbonic acid monomethyl ester as a solid and its conformational isomerism in the gas phase Chemistry – A European Journal 26(1), 285-305. https://doi.org/10.1002/chem.201904142
• Ding, Y., Gu, Q., Klyushin, A., Huang, X., Choudhury, S.H., Spanos, I., Song, F., Mom, R., Düngen, P., Mechler, A.K., Schlögl, R., Heumann, S. (2020). Dynamic carbon surface chemistry: revealing the role of carbon in electrolytic water oxidation Journal of Energy Chemistry 47, 155-159. https://doi.org/10.1016/j.jechem.2019.12.006
• Nong H.N., Tran, H.P., Spöri, C., Klingenhof, M., Frevel, L., Jones, T.R., Cottre, T., Jaegermann, W., Schlögl, R., Teschner, D., Strasser, P. (2020). The Role of Surface Hydroxylation, Lattice Vacancies and Bond Covalency in the Electrochemical Oxidation of Water (OER) on Ni-Depleted Iridium Oxide Catalysts Zeitschrift für Physikalische Chemie 234(5), 787-812. https://doi.org/10.1515/zpch-2019-1460
• Kraus, P., Massué, C., Heumann, S., Schlögl, R. (2019). Reliable long-term performance assessment of commercial photovoltaic modules tested under field conditions over 5 years Journal of Renewable and Sustainable Energy 11, 063501. https://doi.org/10.1063/1.5128171
• Salazar Gómez, J.I., Klucken, C., Sojka, M., Masliuk, L., Lunkenbein, T., Schlögl, R., Ruland, H. (2019). Elucidation of artefacts in proton-transfer-reaction time-of-flight mass spectrometers Journal of Mass Spectrometry 54(12), 987-1002. https://doi.org/10.1002/jms.4479
• Park, H., Schleker, P.P.M., Liu, Z., Kowalew, N., Stamm, T., Schlögl, R., Eichel, R.-A., Heumann, S., Granwehr, J. (2019). Insights on Water Interaction at the Interface of Nitrogen Functionalized Hydrothermal Carbons The Journal of Physical Chemistry C 23(41), 25146-25156. https://doi.org/10.1021/acs.jpcc.9b05323
• Amakawa, K., Wang, Y., Kröhnert, J., Schlögl, R., Trunschke, A. (2019). Acid sites on silica-supported molybdenum oxides probed by ammonia adsorption: Experiment and theory Molecular Catalysis 478, 110580. https://doi.org/10.1016/j.mcat.2019.110580
• Götsch, T., Köpfle, N., Schlicker, L., Carbonio, E.A., Hävecker, M., Knop-Gericke, A., Schlögl, R., Bekheet, M.F., Gurlo, A., Doran, A., Bernardi, J., Klötzer, B., Penner, S. (2019). Treading in the Limited Stability Regime of Lanthanum Strontium Ferrite — Reduction, Phase Change and Exsolution ECS Transactions 91(1), 1771-1781. https://doi.org/10.1149/09101.1771ecst
• Millet, M.-M., Tarasov, A.V., Girgsdies, F., Algara-Siller, G., Schlögl, R., Frei, E. (2019). Highly dispersed Ni⁰/Ni_xMg_1-xO catalysts derived from solid solutions: How metal and support control the CO₂ hydrogenation ACS Catalysis 9, 8534-8546. https://doi.org/10.1021/acscatal.9b02332
• Spanos, I., Tesch, M.F., Yu, M., Tüysüz, H., Zhang, J., Feng, X., Müllen, K., Schlögl, R., Mechler, A.K. (2019). A facile protocol for alkaline electrolyte purification and its influence on a Ni-Co oxide catalyst for the oxygen evolution reaction ACS Catalysis 9, 8165-8170. https://doi.org/10.1021/acscatal.9b01940
• Huang, X., Farra, R., Schlögl, R., Willinger, M.-G. (2019). Growth and Termination Dynamics of Multi-Walled Carbon Nanotubes at Near Ambient Pressure: An In Situ TEM Study Nano Letters 19(8), 5380-5387. https://doi.org/10.1021/acs.nanolett.9b01888
• Abdel-Mageed, A.M., Klyushin, A., Knop-Gericke, A., Schlögl, R., Behm, R.J. (2019). Influence of CO on the Activation, O-Vacancy Formation, and Performance of Au/ZnO Catalysts in CO₂ Hydrogenation to Methanol The Journal of Physical Chemistry Letters 10, 3645-3653. https://doi.org/10.1021/acs.jpclett.9b00925
• Ding, Y., Schlögl, R., Heumann, S. (2019). The role of supported atomically distributed metal species in electrochemistry and how to create them ChemElectroChem 6(15), 3860-3877. https://doi.org/10.1002/celc.201900598
• Dilla, M., Moustakas, N.G., Becerikli, A.E., Peppel, T., Springer, A., Schlögl, R., Strunk, J., Ristig, S. (2019). Judging the feasibility of TiO₂ as photocatalyst for chemical energy conversion by quantitative reactivity determinants Physical Chemistry Chemical Physics 21, 13144-13150. doi.org/10.1039/c9cp00981g
• Tarasov, A., Seitz, F., Schlögl, R., Frei, E. (2019). In-situ quantification of reaction adsorbates in low-temperature methanol synthesis on a high performance Cu/ZnO:Al catalyst ACS Catalysis 9(6), 5537-5544. https://doi.org/10.1021/acscatal.9b01241
• Scherzer, M., Girgsdies, F., Stotz, E., Willinger, M.-G., Frei, E., Schlögl, R., Pietsch, U., Lunkenbein, T. (2019). Electrochemical Surface Oxidation of Copper Studied by In Situ Grazing Incidence X-ray Diffraction The Journal of Physical Chemistry C 123, 13253-13262. https://doi.org/10.1021/acs.jpcc.9b00282
• Huang, X., Teschner, D., Dimitrakopoulou, M., Fedorov, A., Frank, B.,Kraehnert, R., Rosowski, F., Kaiser, H., Schunk, S., Kuretschka, C., Schlögl, R., Willinger, M.-G., Trunschke, A. (2019). Atomic Scale Observation of the Metal-Promoter Interaction in Rh-Based Syngas Upgrading Catalysts Angewandte Chemie International Edition 58(26), 8709-8713. https://doi.org/10.1002/anie.201902750 
• Wernbacher, A.M., Kube, P., Hävecker, M., Schlögl, R., Trunschke, A. (2019). Electronic and Dielectric Properties of MoV-Oxide (M1 Phase) under Alkane Oxidation Conditions The Journal of Physical Chemistry C 123, 13269-13282. https://doi.org/10.1021/acs.jpcc.9b01273
• Dilla, M., Jakubowski, A., Ristig, S., Strunk, J., Schlögl, R. (2019). The Fate of O₂ in Photocatalytic CO₂ Reduction on TiO₂ under Conditions of Highest Purity Physical Chemistry Chemical Physics 21, 15949-15957. https://doi.org/10.1039/c8cp07765g
• Fu, T., Wang, Y., Wernbacher, A.M., Schlögl, R., Trunschke, A. (2019). Single-site vanadyl species isolated within molybdenum oxide monolayers in propane oxidation ACS Catalysis 9, 4875–4886. https://doi.org/10.1021/acscatal.9b00326
• Abdel-Mageed, A.M., Klyushin, A., Rezvani, A., Knop-Gericke, A., Schlögl, R., Behm, R.J. (2019). Negative Charging of Au Nanoparticles during Methanol Synthesis from CO₂/H₂ on a Au/ZnO Catalyst: Insights from Operando Infrared and Near‐ambient Pressure XPS and XAS Angewandte Chemie International Edition 131(30), 10431-10436. https://doi.org/10.1002/ange.201900150
• Lin, Y., Lu, Q., Song, F., Yu, L., Mechler, A.K., Schlögl, R., Heumann, S. (2019). Oxygen Evolution Reaction at Carbon Edge Sites: Activity Evolution and Structure‐Function Relationships Clarified by Polycyclic Aromatic Hydrocarbons Angewandte Chemie International Edition 58(26), 8917-8921. https://doi.org/10.1002/anie.201902884
• Lamoth, M., Plodinec, M., Scharfenberg, L., Wrabetz, S., Girgsdies, F., Jones, T., Rosowski, F., Horn, R., Schlögl, R., Frei, E. (2019). Supported Ag Nanoparticles and Clusters for CO Oxidation: Size Effects and Influence of the Silver-Oxygen Interactions ACS Applied Nano Materials 2, 2909-2920. https://doi.org/10.1021/acsanm.9b00344
• Zwiener, L., Jones, T., Wolf, E.H., Girgsdies, F., Plodinec, M., Klyushin, A.Y., Willinger, E., Rosowski, F., Schlögl, R., Frei, E. (2019). Synthesis and characterization of Ag-delafossites AgBO₂ (B: Al, Ga, In) from rapid hydrothermal process European Journal of Inorganic Chemistry 2019(18), 2333-2345. https://doi.org/10.1002/ejic.201900052
• Zwiener, L., Girgsdies, F., Brennecke, D., Teschner, D., Machoke, A.G.F., Schlögl, R., Frei, E. (2019). Evolution of zincian malachite synthesis by low temperature co-precipitation and its catalytic impact on the methanol synthesis Applied Catalysis B: Environmental 249, 218-226. https://doi.org/10.1016/j.apcatb.2019.02.023
• Lee, S., Halder, A., Ferguson, G.A., Seifert, S., Winans, R.E., Teschner, D., Schlögl, R., Papaefthimiou, Greeley, J., Curtiss, L.A., Vajda, S. (2019). Subnanometer cobalt oxide clusters as selective low temperature oxidative dehydrogenation catalysts Nature Communications 10, 954. https://doi.org/10.1038/s41467-019-08819-5
• Frei, E., Gaur, A., Lichtenberg, H., Heine, C., Friedrich, M., Greiner, M., Lunkenbein, T., Grunwaldt, J.-D., Schlögl, R. (2019). Activating a Cu/ZnO:Al Catalyst – much more than Reduction: Decomposition, Self‐doping and Polymorphism ChemCatChem 11(6), 1587-1592. https://doi.org/10.1002/cctc.201900069
• Dilla, M., Becerikli, A.E., Jakubowski, A., Schlögl, R., Ristig, S. (2019). Development of a Tubular Continuous Flow Reactor for the Investigation of Improved Gas-Solid Interaction in Photocatalytic CO₂ Reduction on TiO₂ Photochemical & Photobiological Science 18, 314-318. https://doi.org/10.1039/C8PP00518D
• Millet, M.-M., Algara-Siller, G., Wrabetz, S., Mazheika, A., Girgsdies, F., Teschner, D., Seitz, F., Tarasiv, A., Levchenko, S.V., Schlögl, R., Frei, E. (2019). Ni single atom catalysts for CO₂ activation Journal of the American Chemical Society 141(6), 2251-2461. https://doi.org/10.1021/jacs.8b11729
• Velasco-Vélez, J.J., Jones, T.E., Streibel, V., Hävecker, M., Chuang, C.-H., Frevel, L., Plodinec, M., Centeno, A., Zurutuza, A., Wand, R., Arrigo, R., Mom, R., Hofmann, S., Schlögl, R., Knop-Gericke, A. (2019). Electrochemically active Ir NPs on graphene for OER in acidic aqueous electrolyte investigated by in situ and ex situ spectroscopies Surface Science 681, 1-8. https://doi.org/10.1016/j.susc.2018.10.021
• Schlögl, R. (2019). Put the Sun in the Tank: Future Developments in Sustainable Energy Systems Angewandte Chemie International Edition 58(1), 343-348. https://doi.org/10.1002/anie.201808799
• Velasco-Vélez, J.-J., Jones, T., Gao, D., Carbonio, E., Arrigo, R., Hsu, C.-J., Huang, Y.-C., Dong, C.-L., Chen, J.-M., Lee, J.-F., Strasser, P., Roldan Cuenya, B., Schlögl, R., Knop-Gericke, A., Chuang, C.-H. (2019). The role of the copper oxidation state in the electrocatalytic reduction of CO₂ into valuable hydrocarbons ACS Sustainable Chemistry & Engineering 7(1), 1485-1492. https://doi.org/10.1021/acssuschemeng.8b05106
• Tesch, M.F., Bonke, S.A., Jones, T.E., Shaker, M.N., Xiao, J., Skorupska, K., Mom, R., Melder, J., Kurz, P., Knop-Gericke, A., Schlögl, R., Hocking, R., Simonov, A.N. (2019). Evolution of oxygen‐metal electron transfer and metal electronic states during Mn‐oxide catalyzed water oxidation revealed with in situ soft X‐ray spectroscopy Angewandte Chemie International Edition 131(11), 3464-3470. https://doi.org/10.1002/anie.201810825
• Li, X., Teschner, D., Streibel, V., Lunkenbein, T., Masliuk, L., Fu, T., Wang, Y., Jones, T., Seitz, F., Girgsdies, F., Rosowski, F., Schlögl, R., Trunschke, A. (2019). How to control selectivity in alkane oxidation? Chemical Science 10(8), 2429-2443. https://doi.org/10.1039/c8sc04641g
• Gu, Q., Ding, Y., Liu, Z., Lin, Y., Schlögl, R., Heumann, S., Su, D. (2019). Probing the intrinsic catalytic activity of carbon nanotubes for the metal-free oxidation of aromatic thiophene compounds in ionic liquids Journal of Energy Chemistry 32, 131-137. https://doi.org/10.1016/j.jechem.2018.07.004
• Marianski, M., Seo, J., Mucha, E., Thomas, D.A., Jung, S., Schlögl, R., Meijer, G., Trunschke, A., von Helden, G. (2019). Structural Characterization of Molybdenum Oxide Nanoclusters Using Ion Mobility Spectrometry-Mass Spectrometry and Infrared Action Spectroscopy The Journal of Physical Chemistry C 123(13), 7845-7853. https://doi.org/10.1021/acs.jpcc.8b06985
• Wernbacher, A.M., Eichelbaum, M., Risse, T., Cap, S., Trunschke, A., Schlögl, R. (2019). Operando Electrical Conductivity and Complex Permittivity Study on Vanadia Oxidation Catalysts The Journal of Physical Chemistry C 123(13), 8005-8017. https://doi.org/10.1021/acs.jpcc.8b07417
• Plodenic, M., Stotz, E., Sandoval-Diaz, L., Schlögl, R., Lunkenbein, T. (2019). Multimodal Operando Electron Microscopy Approach to Study Pt Catalyst During CO Oxidation Reaction Microscopy and Microanalysis 25(S2), 1448-1449. https://doi.org/10.1017/S1431927619007979
• Rosol, C., Steininger, B., Renn, J. Schlögl, R. (2018). On the age of computation in the epoch of humankind Nature 563, 7733. https://www.nature.com/articles/d42473-018-00286-8
• Rodenas, T., Beeg, S., Spanos, I., Neugebauer, S., Girgsdies, F., Algara-Siller, G., Schleker, P.P.M., Jakes, P., Pfänder, N., Willinger, M., Greiner, M., Prieto, G., Schlögl, R., Heumann, S. (2018). 2D Metal Organic Framework-Graphitic Carbon Nanocomposites as Precursors for High-Performance O₂-Evolution Electrocatalysts Advanced Energy Materials 8(35), 1802404. https://doi.org/10.1002/aenm.201802404
• Velasco-Vélez, J.-J., Teschner, D., Girgsdies, F., Hävecker, M., Streibe, V. Willinger, M.G., Cao, J., Lamoth, M., Frei, E., Wang, R., Centeno, A., Zurutuza, A., Hofmann, S., Schlögl, R., Knop-Gericke, A. (2018). The Role of Adsorbed and Subsurface Carbon Species for the Selective Alkyne Hydrogenation Over a Pd-Black Catalyst: An Operando Study of Bulk and Surface Topics in Catalysis 61(20), 2052-2061. https://doi.org/10.1007/s11244-018-1071-6 Correction: 2062-2062. https://doi.org/10.1007/s11244-018-1090-3
• Millet, M., Frei, E., Algara-Siller, G., Schlögl, R., Tarasov, A. (2018). Surface titration of supported Ni catalysts by O₂-pulse thermal analysis Applied Catalysis A: General 566, 155-163. https://doi.org/10.1016/j.apcata.2018.08.023
• Streibel, V., Hävecker, M., Yi, Y., Velasco Vélez, J.J., Skorupska, K., Stotz, E., Knop-Gericke, A., Schlögl, R., Arrigo, R. (2018). In Situ Electrochemical Cells to Study the Oxygen Evolution Reaction by Near Ambient Pressure X-ray Photoelectron Spectroscopy Topics in Catalysis 61(20), 2064-2084. https://doi.org/10.1007/s11244-018-1061-8
• Lin, Y., Wu, K.-H., Lu, Q., Gu, Q., Zhang, L., Zhang, B., Sheng Su, D., Plodinec, M., Schlögl, R., Heumann, S. (2018). Electrocatalytic Water Oxidation at Quinone-on-Carbon: A Model System Study Journal of the American Chemical Society 140(44), 14717-14724. https://doi.org/10.1021/jacs.8b07627
• Deeberg, G., Oles, M., Schlögl, R. (2018). The Project Carbon2Chem^® Chemie Ingenieur Technik 90(10), 1365-1368 https://doi.org/10.1002/cite.201800060
• Masliuk, L., Swoboda, M., Algara-Siller, G., Schlögl, R., Lunkenbein, T. (2018). A quasi in situ TEM grid reactor for decoupling catalytic gas phase reactions and analysis Ultramicroscopy 195, 121-128. https://doi.org/10.1016/j.ultramic.2018.09.001
• Greiner, M.T., Jones, T.E., Beeg, S., Zwiener, L., Scherzer, M., Girgsdies, F., Piccinin, S., Armbrüster, M., Knop-Gericke, A., Schlögl, R. (2018). Free-atom-like d states in single-atom alloy catalysts Nature Chemistry 10, 1008-1015. https://doi.org/10.1038/s41557-018-0125-5
• Schittkowski, J., Ruland, H., Laudenschleger, D., Girod, K., Kähler, K., Kaluza, S., Muhler, M., Schlögl, R. (2018). Methanol Synthesis from Steel Mill Exhaust Gases: Challenges for the Industrial Cu/ZnO/Al₂O₃ Catalyst Chemie Ingenieur Technik 90(10), 1419-1429. https://doi.org/10.1002/cite.201800017
• Zwiener, L., Girgsdies, F., Schlögl, R., Frei, E. (2018). nvestigations of Cu/Zn Oxalates from Aqueous Solution: Single Phase Precursors and Beyond Chemistry – A European Journal 25(56), 15080-15088. https://doi.org/10.1002/chem.201803124
• Cao, J., Wang, Z.-J., Huang, X., Rinaldi, A., Greiner, M., Moldovan, G., Joachimi, W., Schlögl, R., Willinger, M. (2018). The ESEM as In Situ Platform for the Study of Gas-Solid Interactions Microscopy and Microanalysis 24(S1), 344-345. https://doi.org/10.1017/S1431927618002210
• Lukashuk, L., Yigit, N., Rameshan, R., Kolar, E., Teschner, D., Hävecker, M., Knop‑Gericke, A., Schlögl, R., Föttinger, K., Repprechter, G. (2018). Operando insights into CO oxidation on cobalt oxide catalysts by NAP-XPS, FTIR and XRD ACS Catalysis 8(9), 8630-8641. https://doi.org/10.1021/acscatal.8b01237
• Klyushin, A.Y., Jones, T.E., Lunkenbein, T., Kube, P., Li, X., Hävecker, M., Knop-Gericke, A., Schlögl, R. (2018). Strong Metal Support Interaction as a key factor of Au activation in CO oxidation ChemCatChem 10(18), 3985-3989. https://doi.org/10.1002/cctc.201800972 
• Huang, X., Liu, Z., Millet, M-M., Dong, J., Plodine, M., Ding, F., Schlögl, R., Willinger, M-G. (2018). In Situ Atomic-Scale Observation of Surface Tension Induced Structural Transformation of Ag-NiP_x Core-Shell Nanocrystals ACS Nano 12(7), 7197-7205. https://doi.org/10.1021/acsnano.8b03106
• Dimitrakopoulou, M., Huang, X., Kröhnert, J., Teschner, D., Praetz, S., Schlesiger, C., Malzer, W., Janke, C., Schwab, E., Rosowski, F., Kaiser, H., Schunk, S., Schlögl, R., Trunschke, A. (2018). Insights into structure and dynamics of (Mn,Fe)O_x-promoted Rh nanoparticles Faraday Discussions 208, 207-225. https://doi.org/10.1039/c7fd00215g
• Saveleva, V.A., Wang, L., Teschner, D., Jones, T., Gago, A.S., Friedrich, K.A., Zafeiratos, S., Schlögl, R., Savinova, E.R. (2018). Operando Evidence for a Universal Oxygen Evolution Mechanism on Thermal and Electrochemical Iridium Oxides The Journal of Physical Chemistry Letter 9(11), 3154-3160. https://doi.org/10.1021/acs.jpclett.8b00810
• Spanos, I., Neugebauer, S., Guterman, R., Yuan, J., Schlögl, R., Antonietti, M. (2018). Poly(ionic liquid) Binders as Ion conductors and Polymer Electrolyte Interface for Enhanced Electrochemical Performance of Water Splitting Electrodes Sustainable Energy & Fuels 2, 1446-1451. https://doi.org/10.1039/C8SE00110C
• Düngen, P., Greiner, M., Böhm, K.H., Spanos, I., Huang, X., Auer, A.A., Schlögl, R., Heumann, S. (2018). Atomically dispersed vanadium oxides on multiwalled carbon nanotubes via atomic layer deposition: A multiparameter optimization Journal of Vacuum Science & Technology A 36(1), 01A126. https://doi.org/10.1116/1.5006783
• Ding, Y., Klyushin, A., Huang, X., Jones, T., Teschner, D., Girgsdies, F., Rodenas, T., Schlögl, R., Heumann, S. (2018). Cobalt Bridged with Ionic Liquid Polymer on Carbon Nanotube for Enhanced Oxygen Evolution Reaction Activity Angewandte Chemie International Edition 57(13), 3514-3518. https://doi.org/10.1002/anie.201711688
• Düngen, P., Schlögl, R., Heumann, S. (2018). Non-linear thermogravimetric mass spectrometry of carbon materials providing direct speciation separation of oxygen functional groups Carbon 130, 614-622. https://doi.org/10.1016/j.carbon.2018.01.047
• Greiner, M.T., Cao, J., Jones, T.E., Beeg, S., Skorupska, K., Carbonio, E.A., Sezen, H., Amati, M., Gregoratti, L., Willinger, M.G., Knop-Gericke, A., Schlögl, R. (2018). Phase coexistence of multiple copper oxides on AgCu catalysts during ethylene epoxidation ACS Catalysis 8(3), 2286-2295. https://doi.org/10.1021/acscatal.7b04187
• Heenemann, M., Heine, C., Hävecker, M., Trunschke, A., Schlögl, R. (2018). Influence of Steam on a Vanadyl Pyrophosphate Catalyst during Propane Oxidation Journal of Physical Chemistry B 122(2), 695-704. https://doi.org/10.1021/acs.jpcb.7b06314
• Velasco-Vélez, J.J., Skorupska, K., Frei, E., Huang, Y.C., Dong, C.L., Su, B.J., Hsu, C.J., Chou, H.Y., Chen, J. M., Strasser, P., Schlögl, R., Knop-Gericke, A., Chuang, C.H. (2018). The Electro-Deposition/Dissolution of CuSO₄ Aqueous Electrolyte Investigated by In Situ Soft X-ray Absorption Spectroscopy Journal of Physical Chemistry B 122(2), 780-787. https://doi.org/10.1021/acs.jpcb.7b06728
• Straten, J.W., Schlecker., P., Krasowska, M., Veroutis, E., Granwehr, J., Auer, A.A., Hetaba, W., Becker, S., Schlögl, R., Heumann, S. (2018). N-Funtionalized Hydrothermal Carbon Materials using Urotropine as N-Precursor Chemistry - A European Journal 24(47), 12298-12317. https://doi.org/10.1002/chem.201800341
• Deerberg, G., Oles, M., Schlögl, R. (2018). Sustainable solutions and technical Implementation on a large Scale are needed quickly to achieve the Climate Goals Chemie Ingenieur Technik 90(10), 1351. https://doi.org/10.1002/cite.201871002
• Auer, A.A., Cap, S., Antonietti, M., Cherevko, S., Deng, X., Papakonstantinou, G., Sundmacher, K., Brüller, S., Antonyshyn, I., Dimitratos, N., Davis, R.J., Böhm, K.-H., Fechler, N., Freakley, S., Grin, Y., Gunnoe, B.T., Haj-Hariri, H., Hutchings, G., Liang, H., Mayrhofer, K.J.J., Müllen, K., Neese, F., Ranjan, C., Sankar, M., Schlögl, R., Schüth, F., Spanos, I., Stratmann, M., Tüysüz, H., Vidakovic-Koch, T., Yi, Y., Zangari, G. (2018). MAXNET Energy – Focusing Research in Chemical Energy Conversion on the Electrocatlytic Oxygen Evolution Energy Online https://doi.org/10.1515/energyo.0028.00079
• Wang, F., Widmann, D., Heenemann, M., Diemant, T., Biskupek, J., Schlögl, R., Behn, R.J. (2017). The role of electronic metal-support interactions and its temperature dependence: CO adsorption and CO oxidation on Au/TiO₂ catalysts in the presence of TiO₂ bulk defects Journal of Catalysis 354, 46-60. https://doi.org/10.1016/j.jcat.2017.07.029
• Bukhtiyarova, M., Lunkenbein, T., Kähler, K., Schlögl, R. (2017). Methanol Synthesis from Industrial CO₂ Sources: A Contribution to Chemical Energy Conversion Catalysis Letters 147(2), 416-427. https://doi.org/10.1007/s10562-016-1960-x
• Velasco-Vélez, J.J., Jones, T.E., Pfeifer, V., Dong, C.L., Chen, Y.X., Chen, C.M., Chen, H.Y., Lu, Y.R., Chen, J.M., Schlögl, R., Knop-Gericke, A., Chuang, C.H. (2017). Trends in reactivity of electrodeposited 3d transition metals on gold revealed by operando soft X-ray absorption spectroscopy during water splitting Journal of Physics D - Applied Physics 50(2), 24002. https://doi.org/10.1088/1361-6463/50/2/024002
• Hävecker, M., Düngen, P., Buller, S., Knop-Gericke, A., Trunschke, A., Schlögl, R. (2017). Restructuring of silica supported vanadia during propane oxidative dehydrogenation studied by combined synchrotron radiation based in situ soft X-ray absorption and photoemission Catalysis Structure and Reactivity 3, 104-111. https://doi.org/10.1080/2055074X.2017.1287535
• Kaichev, V.V., Saraev, A.A., Gladky, A.Y., Prosvirin, I.P., Blume, R., Teschner, D., Hävecker, M., Knop-Gericke, A., Schlögl, R., Bukhtiyarov, V.I. (2017). Reversible Bulk Oxidation of Ni Foil During Oscillatory Catalytic Oxidation of Propane: A Novel Type of Spatiotemporal Self-Organization Physical Review Letters 119(2), 26001. https://doi.org/10.1103/PhysRevLett.119.026001
• Willinger, E., Tarasov, A., Blume, R., Rinaldi, A., Timpe, O., Massué, C., Scherzer, M., Noack, J., Schlögl, R., Willinger, M.G. (2017). Characterization of the Platinum-Carbon Interface for Electrochemical Applications ACS Catalysis 7(7), 4395-4407. https://doi.org/10.1021/acscatal.7b00614
• Spanos, I., Auer, A.A., Neugebauer, S., Deng, X.H., Tüysüz, H., Schlögl, R. (2017). Standardized Benchmarking of Water Splitting Catalysts in a Combined Electrochemical Flow Cell/Inductively Coupled Plasma-Optical Emission Spectrometry (ICP-OES) Setup ACS Catalysis 7(6), 3768-3778. https://doi.org/10.1021/acscatal.7b00632
• Massué, C., Pfeifer, V., Huang, X., Noack, J., Tarasov, A., Cap, S., Schlögl, R. (2017). High-Performance Supported Iridium Oxohydroxide Water Oxidation Electrocatalysts ChemSusChem 10(9), 1943-1957. https://doi.org/10.1002/cssc.201601817
• Massué, C., Huang, X., Tarasov, A., Ranjan, C., Cap, S., Schlögl, R. (2017). Microwave-Assisted Synthesis of Stable and Highly Active Ir Oxohydroxides for Electrochemical Oxidation of Water ChemSusChem 10(9), 1958-1968. https://doi.org/10.1002/cssc.201601864
• Völter, J., Schlögl, R. (2017). 50 Years of German Catalysis Meetings: From Twin Roots to a Joint Success Story ChemCatChem, 9(4), 527-532. https://doi.org/10.1002/cctc.201700011
• Schlögl, R. (2017). Catalysis 4.0 ChemCatChem 9(4), 533-541. https://doi.org/10.1002/cctc.201700026
• Kube, P., Frank, B., Wrabetz, S., Kröhnert, J., Hävecker, M., Velasco-Vélez, J.J., Noack, J., Schlögl, R., Trunschke, A. (2017). Functional Analysis of Catalysts for Lower Alkane Oxidation ChemCatChem 9(4), 573-585. https://doi.org/10.1002/cctc.201601194
• Ortega, K.F., Rein, D., Lüttmann, C., Heese, J., Özcan, F., Heidelmann, M., Folke, J., Kähler, K., Schlögl, R., Behrens, M. (2017). Ammonia Decomposition and Synthesis over Multinary Magnesioferrites: Promotional Effect of Ga on Fe Catalysts for the Decomposition Reaction ChemCatChem 9(4), 659-671. https://doi.org/10.1002/cctc.201601355
• Massué, C., Pfeifer, V., van Gastel, M., Noack, J., Algara-Siller, G., Cap, S., Schlögl, R. (2017). Reactive Electrophilic O^I- Species Evidenced in High-Performance Iridium Oxohydroxide Water Oxidation Electrocatalysts ChemSusChem 10(23), 4786-4798. https://doi.org/10.1002/cssc.201701291
• Schumann, J., Kröhnert, J., Frei, E., Schlögl, R., Trunschke, A. (2017). IR-Spectroscopic Study on the Interface of Cu-Based Methanol Synthesis Catalysts: Evidence for the Formation of a ZnO Overlayer Topics in Catalysis 60(19-20), 1735-1743. https://doi.org/10.1007/s11244-017-0850-9
• Pavlovic, Z., Ranjan, C., van Gastel, M., Schlögl, R. (2017). The active site for the water oxidising anodic iridium oxide probed through in situ Raman spectroscopy Chemical Communications 53(92), 12414-12417. https://doi.org/10.1039/c7cc05669a
• Masliuk, L., Heggen, M., Noack, J., Girgsdies, F., Trunschke, A., Hermann, K.E., Willinger, M.G., Schlögl, R., Lunkenbein, T. (2017). Structural Complexity in Heterogeneous Catalysis: Cataloging Local Nanostructures Journal of Physical Chemistry C 121(43), 24093-24103. https://doi.org/10.1021/acs.jpcc.7b08333
• Fan, H., Huang, X., Kähler, K., Folke, J., Girgsdies, F., Teschner, D., Ding, Y., Hermann, K., Schlögl, R., Frei, E. (2017). In-Situ Formation of Fe Nanoparticles from FeOOH Nanosheets on γ-Al₂O₃ as Efficient Catalysts for Ammonia Synthesis ACS Sustainable Chemistry and Engineering 5(11), 10900-10909. https://doi.org/10.1021/acssuschemeng.7b02812
• Yi, Y.M., Weinberg, G., Prenzel, M., Greiner, M., Heumann, S., Becker, S., Schlögl, R. (2017). Electrochemical corrosion of a glassy carbon electrode Catalysis Today 295, 32-40. https://doi.org/10.1016/j.cattod.2017.07.013
• Kubas, A., Noak, J., Trunschke, A., Schlögl, R., Neese, F., Maganas, D. (2017). A combined experimental and theoretical spectroscopic protocol for determination of the structure of heterogeneous catalysts: developing the information content of the resonance Raman spectra of M1 MoVO_x Chemical Science 8(9), 6338-6353. https://doi.org/10.1039/c7sc01771e
• Willinger, E., Massué, C., Schlögl, R., Willinger, M.G. (2017). Identifying Key Structural Features of IrO_x Water Splitting Catalysts Journal of the American Chemical Society 139(34), 12093-12101. https://doi.org/10.1021/jacs.7b07079
• Schlögl, R. (2017). E-Mobility and the Energy Transition Angewandte Chemie International Edition 56(37), 11019-11022. https://doi.org/10.1002/anie.201701633
• Su, D.S., Wen, G., Wu, S., Peng, F., Schlögl, R. (2017). Carbocatalysis in Liquid‐Phase Reactions Angewandte Chemie International Edition 56(4), 936-964. https://doi.org/10.1002/anie.201600906
• Chakrapani, K., Bendt, G., Hajiyani, H., Schwarzrock, I., Lunkenbein, T., Salamon, S., Landers, J., Wende, H., Schlögl, R., Pentcheva, R., Behrens, M., Schulz, S. (2017). Role of Composition and Size of Cobalt Ferrite Nanocrystals in the Oxygen Evolution Reaction ChemCatChem 9(15), 2988-2995. https://doi.org/10.1002/cctc.201700376
• Düngen, P., Prenzel, M., Van Stappen, C., Pfänder, N., Heumann, S., Schlögl, R. (2017). Investigation of Different Pre-Treated Multi-Walled Carbon Nanotubes by Raman Spectroscopy Materials Sciences and Applications 8, 628-641 https://doi.org/10.4236/msa.2017.88044
• Knop-Gericke, A., Pfeifer, V., Velasco-Vélez, J.J., Jones, T., Arrigo, R., Hävecker, M., Schlögl, R. (2017). In situ X-ray photoelectron spectroscopy of electrochemically active solid-gas and solid-liquid interfaces Journal of Electron Spectroscopy and Related Phenomena 221, 10-17. https://doi.org/10.1016/j.elspec.2017.03.010
• Rudi, S., Teschner, D., Beermann, V., Hetaba, W., Can, L., Cui, C., Gliech, M., Schlögl, R., Strasser, P. (2017). pH-Induced versus Oxygen-Induced Surface Enrichment and Segregation Effects in Pt–Ni Alloy Nanoparticle Fuel Cell Catalysts ACS Catalysis 7(9), 6376-6384. https://doi.org/10.1021/acscatal.7b00996
• Farra, R., Cao, J., Rinaldi, A., Wang, Z.-J., Willinger, E., Huang, X., Greiner, M., Schlögl, R., Willinger, M.-G. (2017). Multi-Scale Red-Ox Dynamics of Active Metal Catalysts Revealed by a Combination of In Situ Scanning and Transmission Electron Microscopy Microscopy and Microanalysis 23(Suppl 1), 922-923. https://doi.org/10.1017/S143192761700527X
• Bernard, J., Köck, E.-M., Huber, R.G., Liedl, K.R., Call, L., Schlögl, R., Grothe, H., Loerting, T. (2017). Carbonic acid monoethyl ester as a pure solid and its conformational isomerism in the gas-phase RSC Advances 7, 22222-22233. https://doi.org/10.1039/C7RA02792C
• Leitner, W., Quadrelli, E.A., Schlögl, R. (2017). Editorial: Harvesting renewable energy with chemistry Green Chemistry 19, 2307-2308. https://doi.org/10.1039/c7gc90045g
• Pfeifer, V., Jones, T.E., Velasco-Vélez, J.J., Arrigo, R., Piccinin, S., Hävecker, M., Knop-Gericke, A., Schlögl, R. (2017). In situ observation of reactive oxygen species forming on oxygen-evolving iridium surfaces Chemical Science 8, 2143-2149. https://doi.org/10.1039/c6sc04622c
• Pavlovic, Z., Ranjan, C., Gao, Q., van Gastel, M., Schlögl, R. (2016). Probing the Structure of a Water-Oxidizing Anodic Iridium Oxide Catalyst using Raman Spectroscopy ACS Catalysis 6(12), 8098-8105. https://doi.org/10.1021/acscatal.6b02343
• Galván, C.A., Schumann, J., Behrens, M., Fierro, J.L.G., Schlögl, R., Frei, E. (2016). Reverse water-gas shift reaction at the Cu/ZnO interface: Influence of the Cu/Zn ratio on structure-activity correlations Applied Catalysis B - Environmental 195, 104-111. https://doi.org/10.1016/j.apcatb.2016.05.007
• Delmonde, M.V.F., Sallum, L.F., Perini, N., Gonzalez, E.R., Schlögl, R., Varela, H. (2016). Electrocatalytic Efficiency of the Oxidation of Small Organic Molecules under Oscillatory Regime Journal of Physical Chemistry C 120(39), 22365-22374. https://doi.org/10.1021/acs.jpcc.6b06692
• Lunkenbein, T., Girgsdies, F., Kandemir, T., Thomas, N., Behrens, M., Schlögl, R., Frei, E. (2016). Bridging the Time Gap: A Copper/Zinc Oxide/Aluminum Oxide Catalyst for Methanol Synthesis Studied under Industrially Relevant Conditions and Time Scales Angewandte Chemie International Edition 55(41), 12708-12712. https://doi.org/10.1002/anie.201603368
• Velasco-Vélez, J.J., Davaasuren, B., Scherzer, M., Cap, S., Willinger, M., Guo, J.H., Schlögl, R., Knop-Gericke, A. (2016). Exploring the incorporation of nitrogen in titanium and its influence on the electrochemical corrosion resistance in acidic media Surface Science 650, 272-278. https://doi.org/10.1016/j.susc.2016.01.007
• Johnson, B., Ranjan, C., Greiner, M., Arrigo, R., Schuster, M.E., Höpfner, B., Gorgoi, M., Lauermann, I., Willinger, M., Knop-Gericke, A., Schlögl, R. (2016). Characterization of Platinum and Iridium Oxyhydrate Surface Layers from Platinum and Iridium Foils ChemSusChem 9(13), 1634-1646. https://doi.org/10.1002/cssc.201600143
• Velasco-Vélez, J.J., Pfeifer, V., Hävecker, M., Wang, R., Centeno, A., Zurutuza, A., Algara-Siller, G., Stotz, E., Skorupska, K., Teschner, D., Kube, P., Braeuninger-Weimer, P., Hofmann, S., Schlögl, R., Knop-Gericke, A. (2016). Atmospheric pressure X-ray photoelectron spectroscopy apparatus: Bridging the pressure gap Review of Scientific Instruments 87(5), 53121. https://doi.org/10.1063/1.4951724
• Willinger, E., Yi, Y., Tarasov, A., Blume, R., Massué, C., Girgsdies, F., Querner, C., Schwab, E., Schlögl, R., Willinger, M.-G. (2016). Atomic-Scale Insight on the Increased Stability of Tungsten-Modified Platinum/Carbon Fuel Cell Catalysts ChemCatChem 8(8), 1575-1582. doi.org/10.1002/cctc.201600068
• Buller, S., Heise-Podleska, M., Pfänder, N., Willinger, M., Schlögl, R. (2016). Carbon nanotubes as conducting support for potential Mn-oxide electrocatalysts: Influences of pre-treatment procedures Journal of Energy Chemistry 25(2), 265-271. https://doi.org/10.1016/j.jechem.2016.01.022
• Lee, J., Eiswirth, M., Schlögl, R. (2016). Preface: Surface analysis and dynamics Catalysis Today, 260, 1-2. https://doi.org/10.1016/j.cattod.2015.10.008
• Maganas, D., Trunschke, A., Schlögl, R., Neese, F. (2016). A unified view on heterogeneous and homogeneous catalysts through a combination of spectroscopy and quantum chemistry Faraday Discussions 188, 181-197. https://doi.org/10.1039/c5fd00193e
• Arrigo, R., Schuster, M.E., Abate, S., Giorgianni, G., Centi, G., Perathoner, S., Wrabetz, S., Pfeifer, V., Antonietti, M., Schlögl, R. (2016). Pd Supported on Carbon Nitride Boosts the Direct Hydrogen Peroxide Synthesis ACS Catalysis 6(10), 6959-6966. https://doi.org/10.1021/acscatal.6b01889
• Mette, K., Kühl, S., Tarasov, A., Willinger, M.-G., Kröhnert, J., Wrabetz, S., Trunschke, A., Scherzer, M., Girgsdies, F., Düdder, H., Kähler, K., Ortega, K.F., Muhler, M., Schlögl, R., Behrens, M., Lunkenbein, T. (2016). High-Temperature Stable Ni Nanoparticles for the Dry Reforming of Methane ACS Catalysis 6(10), 7238-7248. https://doi.org/10.1021/acscatal.6b01683
• Klyushin, A.Y., Greiner, M.T., Huang, X., Lunkenbein, T., Li, X., Timpe, O., Friedrich, M., Hävecker, M., Knop-Gericke, A., Schlögl, R. (2016). Is Nanostructuring Sufficient To Get Catalytically Active Au? ACS Catalysis 6(5), 3372-3380. https://doi.org/10.1021/acscatal.5b02631
• Schlögl, R. (2016). Sustainable Energy Systems: The Strategic Role of Chemical Energy Conversion Topics in Catalysis 59(8-9), 772-786. https://doi.org/10.1007/s11244-016-0551-9
• Pfeifer, V., Jones, T.E., Velasco-Vélez J.J., Massué, C., Arrigo, R., Teschner, D., Girgsdies, F., Scherzer, M., Greiner, M.T., Allan, J., Hashagen, M., Weinberg, G., Piccinin, S., Hävecker, M., Knop-Gericke, A., Schlögl, R. (2016). The electronic structure of iridium and its oxides Surface and Interface Analysis 48(5), 261-273. https://doi.org/10.1002/sia.5895
• Schumann, J., Tarasov, A., Thomas, N., Schlögl, R., Behrens, M. (2016). Cu,Zn-based catalysts for methanol synthesis: On the effect of calcination conditions and the part of residual carbonates Applied Catalysis A - General 516, 117-126. https://doi.org/10.1016/j.apcata.2016.01.037
• Pfeifer, V., Jones, T.E., Velasco-Vélez, J.J., Massué, C., Greiner, M.T., Arrigo, R., Teschner, D., Girgsdies, F., Scherzer, M., Allan, J., Hashagen, M., Weinberg, G., Piccinin, S., Hävecker, M., Knop-Gericke, A., Schlögl, R. (2016). The electronic structure of iridium oxide electrodes active in water splitting Physical Chemistry Chemical Physics 18(4), 2292-2296. https://doi.org/10.1039/c5cp06997a 
• Pfeifer, V., Jones, T.E., Wrabetz, S., Massué, C., Velasco-Vélez, J.J., Arrigo, R., Scherzer, M., Piccinin, S., Hävecker, M., Knop-Gericke, A., Schlögl, R. (2016). Reactive oxygen species in iridium-based OER catalysts Chemical Science 7(11), 6791-6795. https://doi.org/10.1039/c6sc01860b

Full publications list | ORCID | ResearcherID

Selected MPI CEC publications

• Song, F., Straten, J. W., Lin, Y.-M., Ding, Y., Schlögl, R., Heumann, S., Mechler, A. K. (2023). Binder-Free N-Functionalized Carbon Electrodes for Oxygen Evolution Reaction. ChemElectroChem, (10) e202201075, pp. 1-10. doi:10.1002/celc.202201075.
• Choudhury, S. H., Ding, Y., Yi, Y., Rohner, C., Frandsen, W., Lunkenbein, T., Greiner, M., Schlögl, R., Heumann, S. (2022). Oxidation Behavior of Glassy Carbon in Acidic Electrolyte. ChemElectroChem, (9): e202200637, pp. 1-7. doi:10.1002/celc.202200637.
• Ristig, S., Poschmann, M., Folke, J., Gomez-Capiro, O., Chen, Z., Sanchez-Bastardo, N., Schlögl, R., Heumann, S.,  Ruland, H. (2022). Ammonia Decomposition in the Process Chain for a Renewable Hydrogen Supply. Chemie-Ingenieur-Technik, (94), 1-14. doi:10.1002/cite.202200003.
• Lin, Y., Yu, L., Tang, L., Song, F., Schlögl, R., Heumann, S. (2022). In Situ Identification and Time-Resolved Observation of the Interfacial State and Reactive Intermediates on a Cobalt Oxide Nanocatalyst for the Oxygen Evolution Reaction. ACS Catalysis, 12(9), 5345-5355. doi:10.1021/acscatal.1c05598.
• Fan, H., Folke, J., Liu, Z., Girgsdies, F., Ruland, H., Imlau, R., Ruland,H., Heumann, S., Granwehr, J., Eichel,R.- A., Schlögl, R., Frei, E.,Xing, H. (2021) Ultrathin 2D Fe-Nanosheets Stabilized by 2D Mesoporous Silica: Synthesis and Application in Ammonia Synthesis. ACS Appl. Mater. Inerfaces, 13(25), 30187-30197. doi:10.1021/acsami.1c06771
• Ding, Y., Zhang, L., Gu, Q., Spanos, I., Pfänder, N., Wu, K. H., Schlögl, R., Heumann, S. (2021). Tuning of Reciprocal Carbon-Electrode Properties for an Optimized Hydrogen Evolution. ChemSusChem, 14(12), 2547-2553. doi:10.1002/cssc.202100654.
• Lin, Y., Liu, Z., Yu, L., Zhang, G.-R., Tan, H., Wu, K.-H., Song, F., Mechler, A.K., Schleker, P.P.M., Lu, Q., Zhang, B., Heumann, S. (2021). Overall oxygen electrocatalysis on nitrogen‐modified carbon catalysts: identification of active sites and in situ observation of reactive intermediates Angewandte Chemie International Edition, 60,3299–3306 . https://doi.org/10.1002/anie.202012615
• Wu, K.-H., Zhang, Q., Lin, Y., Ali, M.A., Zhao, S., Heumann, S., Centi, G. (2020). Real‐time CO Detection using a Rotating Gold Ring Electrode: A Feasibility Study ChemElectroChem 7(21), 4417-4422. https://doi.org/10.1002/celc.202001263
• Ding, Y., Zhang, P., Xiong, H., Sun, X., Klyushin, A., Zhang, B., Liu, Z., Zhang, J., Zhu, H., Xiao, Z.-A., Heumann, S., Dai, S. (2020). Tuning Regioselective Oxidation toward Phenol via Atomically Dispersed Iron Sites on Carbon Green Chemistry 22(18), 6025-6032. https://doi.org/10.1039/D0GC01717E
• Ding, Y., Greiner, M., Schlögl, R., Heumann, S. (2020). A Metal Free Electrode: From Biomass Derived Carbon to Hydrogen ChemSusChem 13(16), 4064-4048. https://doi.org/10.1002/cssc.202000714
• Park, H., Uluca-Yazgi, B., Heumann, S., Schlögl, R., Granwehr, J., Heise, H., Schleker, P.P.M. (2020). Heteronuclear cross-relaxation effect modulated by the dynamics of N-functional groups in the solid state under ¹⁵N DP-MAS DNP Journal of Magnetic Resonance 312, 106688. https://doi.org/10.1016/j.jmr.2020.106688
• Ding, Y., Gu, Q., Klyushin, A., Huang, X., Choudhury, S.H., Spanos, I., Song, F., Mom, R., Düngen, P., Mechler, A.K., Schlögl, R., Heumann, S. (2020). Dynamic carbon surface chemistry: revealing the role of carbon in electrolytic water oxidation Journal of Energy Chemistry 47, 155-159. https://doi.org/10.1016/j.jechem.2019.12.006
• Kraus, P., Massué, C., Heumann, S., Schlögl, R. (2019). Reliable long-term performance assessment of commercial photovoltaic modules tested under field conditions over 5 years Journal of Renewable and Sustainable Energy 11, 063501. https://doi.org/10.1063/1.5128171
• Lin, Y., Liu, Z., Niu, Y., Zhang, B., Lu, Q., Wu, S., Centi, G., Perathoner, S., Heumann, S., Lu, Y., Su, D.S. (2019). Highly Efficient Metal-Free Nitrogen-Doped Nanocarbons with Unexpected Active Sites for Aerobic Catalytic Reactions ACS Nano. https://doi.org/10.1021/acsnano.9b05856
• Park, H., Schleker, P.P.M., Liu, Z., Kowalew, N., Stamm, T., Schlögl, R., Eichel, R.-A., Heumann, S., Granwehr, J. (2019). Insights on Water Interaction at the Interface of Nitrogen Functionalized Hydrothermal Carbons The Journal of Physical Chemistry C 123(41), 25146-25156. https://doi.org/10.1021/acs.jpcc.9b05323
• Ding, Y., Schlögl, R., Heumann, S. (2019). The role of supported atomically distributed metal species in electrochemistry and how to create them ChemElectroChem 6(15), 3860-3877. https://doi.org/10.1002/celc.201900598
• Lin, Y., Lu, Q., Song, F., Yu, L., Mechler, A.K., Schlögl, R., Heumann, S. (2019). Oxygen Evolution Reaction at Carbon Edge Sites: Activity Evolution and Structure‐Function Relationships Clarified by Polycyclic Aromatic Hydrocarbons Angewandte Chemie International Edition 58(26), 8917-8921. https://doi.org/10.1002/anie.201902884
• Gu, Q., Ding, Y., Liu, Z., Lin, Y., Schlögl, R., Heumann, S., Su, D. (2019). Probing the intrinsic catalytic activity of carbon nanotubes for the metal-free oxidation of aromatic thiophene compounds in ionic liquids Journal of Energy Chemistry 32, 131-137. https://doi.org/10.1016/j.jechem.2018.07.004
• Rodenas, T., Beeg, S., Spanos, I., Neugebauer, S., Girgsdies, F., Algara-Siller, G., Schleker, P.P.M., Jakes, P., Pfänder, N., Willinger, M., Greiner, M., Prieto, G., Schlögl, R., Heumann, S. (2018). 2D Metal Organic Framework-Graphitic Carbon Nanocomposites as Precursors for High-Performance O₂-Evolution Electrocatalysts Advanced Energy Materials 8(35), 1802404. https://doi.org/10.1002/aenm.201802404
• Lin, Y., Wu, K.-H., Lu, Q., Gu, Q., Zhang, L., Zhang, B., Sheng Su, D., Plodinec, M., Schlögl, R., Heumann, S. (2018). Electrocatalytic Water Oxidation at Quinone-on-Carbon: A Model System Study Journal of the American Chemical Society 140(44), 14717-14724. https://doi.org/10.1021/jacs.8b07627
• Düngen, P., Greiner, M., Böhm, K.H., Spanos, I., Huang, X., Auer, A.A., Schlögl, R., Heumann, S. (2018). Atomically dispersed vanadium oxides on multiwalled carbon nanotubes via atomic layer deposition: A multiparameter optimization Journal of Vacuum Science & Technology A 36(1), 01A126. https://doi.org/10.1116/1.5006783
• Ding, Y., Klyushin, A., Huang, X., Jones, T., Teschner, D., Girgsdies, F., Rodenas, T., Schlögl, R., Heumann, S. (2018). Cobalt Bridged with Ionic Liquid Polymer on Carbon Nanotube for Enhanced Oxygen Evolution Reaction Activity Angewandte Chemie International Edition 57(13), 3514-3518. https://doi.org/10.1002/anie.201711688
• Düngen, P., Schlögl, R., Heumann, S. (2018). Non-linear thermogravimetric mass spectrometry of carbon materials providing direct speciation separation of oxygen functional groups Carbon 130, 614-622. https://doi.org/10.1016/j.carbon.2018.01.047
• Straten, J.W., Schlecker., P., Krasowska, M., Veroutis, E., Granwehr, J., Auer, A.A., Hateba, W., Becker, S., Schlögl, R., Heumann, S. (2018). N-Funtionalized Hydrothermal Carbon Materials using Urotropine as N-Precursor Chemistry - A European Journal 24(47), 12298-12317. https://doi.org/10.1002/chem.201800341
• Gu, Q.Q., Lin, Y.M., Heumann, S., Su, D.S. (2017). Nanocarbons for Catalytic Desulfurization Chemistry - An Asian Journal 12(22), 2876-2883. https://doi.org/10.1002/asia.201700995
• Yi, Y.M., Weinberg, G., Prenzel, M., Greiner, M., Heumann, S., Becker, S., Schlögl, R. (2017). Electrochemical corrosion of a glassy carbon electrode Catalysis Today 295, 32-40. https://doi.org/10.1016/j.cattod.2017.07.013
• Lin, Y.M., Wu, K.H., Yu, L.H., Heumann, S., Su, D.S. (2017). Efficient and Highly Selective Solvent-Free Oxidation of Primary Alcohols to Aldehydes Using Bucky Nanodiamond ChemSusChem 10(17), 3497-3505. https://doi.org/10.1002/cssc.201700968
• Düngen, P., Prenzel, M., Van Stappen, C., Pfänder, N., Heumann, S., Schlögl, R. (2017). Investigation of Different Pre-Treated Multi-Walled Carbon Nanotubes by Raman Spectroscopy Materials Sciences and Applications 8, 628-641. https://doi.org/10.4236/msa.2017.88044
• Hävecker, M., Düngen, P., Buller, S., Knop-Gericke, A., Trunschke, A., Schlögl, R. (2017). Restructuring of silica supported vanadia during propane oxidative dehydrogenation studied by combined synchrotron radiation based in situ soft X-ray absorption and photoemission Catalysis Structure and Reactivity 3, 104-111. https://doi.org/10.1080/2055074X.2017.1287535
• Buller, S., Strunk, J. (2016). Nanostructure in energy conversion Journal of Energy Chemistry 25(2), 171-190. https://doi.org/10.1016/j.jechem.2016.01.025
• Buller, S., Heise-Podleska, M., Pfänder, N., Willinger, M., Schlögl, R. (2016). Carbon nanotubes as conducting support for potential Mn-oxide electrocatalysts: Influences of pre-treatment procedures Journal of Energy Chemistry 25(2), 265-271. https://doi.org/10.1016/j.jechem.2016.01.022

Full publications list | ORCID

Selected MPI CEC publications

• Pielsticker, L., Nicholls, R. L., DeBeer, S., Greiner, M. (2023). Convolutional neural network framework for the automated analysis of transition metal X-ray photoelectron spectra. Analytica Chimica Acta, 1271(xx): 341433, pp. xx-xx. doi:10.1016/j.aca.2023.341433.
• Afonso, J. R., Greiner, M., Lunca-Popa, P., Raskin, J.-P., Lenoble, D. (2023). Ultra-low-energy catalytic degradation of ozone by off-stoichiometric delafossite Cu-Cr-O for highly selective low-temperature solid-state O3 sensors. Materials today advances, 18(18): 100366, pp. 1-10. doi:10.1016/j.mtadv.2023.100366.
• Choudhury, S. H., Ding, Y., Yi, Y., Rohner, C., Frandsen, W., Lunkenbein, T., Greiner, M., Schlögl, R., Heumann, S. (2022). Oxidation Behavior of Glassy Carbon in Acidic Electrolyte. ChemElectroChem, 9): e202200637, pp. 1-7. doi:10.1002/celc.202200637.
• Rao, R. G., Blume, R., Greiner, M., Liu, P., Hansen, T. W., Dryer, K. S., Hibbitts, D. D., Tessonnier, J.-P. (2022). Oxygen-Doped Carbon Supports Modulate the Hydrogenation Activity of Palladium Nanoparticles through Electronic Metal- Support Interactions. ACS Catalysis, (12), 7344-7356. doi:10.1021/acscatal.2c01063.
• Scheffler, M., Aeschlimann, M., Albrecht, M., Bereau, T., Bungartz, H.-J., Felser, C., Greiner, M., Gross, A., Koch, C. T., Kremer, K., Nagel, W. E., Scheidgen, M., Wöll, C.,  Draxl, C. (2022). FAIR data enabling new horizons for materials research. Nature, 604(7907), 635-642. doi:10.1038/s41586-022-04501-x.
• Fairley, N., Fernandez, V., Richard-Plouet, M., Guillot-Deudon, C., Walton, J., Smith, E., Smith, E., Flahaut, D., Greiner, M., Biesinger, M., Tougaar, S., Morgan, D., Baltrusaitis, J. (2021). Systematic and collaborative approach to problem solving using X-ray photoelectron spectroscopy. Applied Surface Science Advances, (5): 100112, pp. 1-9. doi:10.1016/j.apsadv.2021.100112
• Toghan, A., Greiner, M., Knop-Gericke, A., Imbihl, R. (2021). Identification of the surface species in electrochemical promotion: ethylene oxidation over a Pt/YSZ catalyst. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 23(38), 21591-21598. doi:10.1039/d1cp02757c.
• Hartwig, C., Schweinar, K., Jones, T. E., Beeg, S., Schmidt, F.-P., Schlögl, R., Greiner, M . (2021). Isolated Pd atoms in a silver matrix: Spectroscopic and chemical properties. The Journal of Chemical Physics, 154(18): 184703, pp. 1-10. doi:10.1063/5.0045936.
• Pielsticker, L., Nicholls, R., Beeg, S., Hartwig, C., Klihm, G., Schlögl, R., Tougaard, S., Greiner, M.(2021). Inelastic electron scattering by the gas phase in near ambient pressure XPS measurements. Surface and Interface Analysis, (53) 605-617 . doi:10.1002/sia.6947.
• Bargiela, P., Fernandez, V., Cardinaud, C., Walton, J., Greiner, M., Morgan, D., Fairley,N., Baltrusaitis, J. (2021). Towards a reliable assessment of charging effects during surface analysis: Accurate spectral shapes of ZrO2 and Pd/ZrO2 via X-ray Photoelectron Spectroscopy. Applied Surface Science, (566): 150728. doi:10.1016/j.apsusc.2021.150728.
• Major, G. H., Avval, T. G., Patel, D. I., Shah, D., Roychowdhury, T., Barlow, A. J., Pigram, Paul J., Greiner, M., Fernandez, V., Herrera-Gomez, A. Linford, M. R.(2021). A discussion of approaches for fitting asymmetric signals in X-ray photoelectron spectroscopy (XPS), noting the importance of Voigt-like peak shapes. Surface and Interface Analysis, (53), 689-707. doi:10.1002/sia.6958.
• Amati, M., Gregoratti, L., Zeller, P., Greiner, M., Scardamaglia, M., Junker, B., Russ, T., Weimar, U., Barsan, N., Favaro, M., Alharbi, A., Jensen, I. J. T., Ali, A., Belle, B. D. (2021). Near ambient pressure photoelectron spectro-microscopy: from gas-solid interface to operando devices. Journal of Physics D: Applied Physics, 54(20): 204004, pp. 1-14. doi:10.1088/1361-6463/abe5e2.
• Ma, Y., Ren, Y., Zhou, Y., Liu, W., Baaziz, W., Ersen, O., Pham-Huu, C., Greiner, M., Chu, W., Wang, A., Zhang, T Liu, Y. (2020). High‐Density and Thermally Stable Palladium Single‐atom Catalysts for Chemoselective Hydrogenations Angewandte Chemie International Edition 59(48), 21613-21619. https://doi.org/10.1002/anie.202007707
• Cao, J., Plodinec, M., Huang, X., Willinger, E., Hammud, A., Hieke, S., Beeg, S., Greogoratti, L., Clobea, C., Schlögl, R., Antonietti, M., Greiner, M., Willinger, M. (2020). In situ observation of oscillatory redox dynamics of copper Nature Communications 11, 3554. https://doi.org/10.1038/s41467-020-17346-7
• Tougaard, S., Greiner, M. (2020). Method to correct ambient pressure XPS for the distortion caused by the gas Applied Surface Science 530, 147243. https://doi.org/10.1016/j.apsusc.2020.147243
• Ding, Y., Greiner, M., Schlögl, R., Heumann, S. (2020). A Metal Free Electrode: From Biomass Derived Carbon to Hydrogen ChemSusChem 13(16), 4064-4048. https://doi.org/10.1002/cssc.202000714
• Schweinar, K., Beeg, S., Hartwig, C., Rajamathi, C.R., Kasian, O., Piccinin, S., Prieto, M.J., Tanase, L.C., Gottlob, D.M., Schmidt, T., Raabe, D., Schlögl, R., Gault, B., Jones, T.E., Greiner, M.T. (2020). Formation of a 2D meta-stable oxide by differential oxidation of AgCu alloys ACS Applied Materials & Interfaces 12(20), 23595-23605. https://doi.org/10.1021/acsami.0c03963
• Schweinar, K., Nicholls, R.L., Rajamathi, C.R., Zeller, P., Amati, M., Gregoratti, L., Raabe, D., Greiner, M., Gault, B., Kasian, O. (2020). Probing catalytic surfaces by correlative scanning photoemission electron microscopy and atom probe tomography Journal of Materials Chemistry A 8(1), 388-400. https://doi.org/10.1039/c9ta10818a
• Frei, E., Gaur, A., Lichtenberg, H., Heine, C., Friedrich, M., Greiner, M., Lunkenbein, T., Grunwaldt, J.-D., Schlögl, R. (2019). Activating a Cu/ZnO:Al Catalyst – much more than Reduction: Decomposition, Self‐doping and Polymorphism ChemCatChem 11(6), 1587-1592. https://doi.org/10.1002/cctc.201900069
• Schweiner, K., Kasian, O., Nicholls, R.L., Rajamathi, C.R., Zeller, P., Amati, M., Gregoratti, L., Raabe, D., Greiner, M., Gault, B. (2019). An Integrated Workflow To Investigate Electrocatalytic Surfaces By Correlative X-ray Photoemission Spectroscopy, Scanning Photoemission Electron Microscopy and Atom Probe Tomography Microscopy and Microanalysis 25(S2), 306-307. https://doi.org/10.1017/S1431927619002265
• Rodenas, T., Beeg, S., Spanos, I., Neugebauer, S., Girgsdies, F., Algara-Siller, G., Schleker, P.P.M., Jakes, P., Pfänder, N., Willinger, M., Greiner, M., Prieto, G., Schlögl, R., Heumann, S. (2018). 2D Metal Organic Framework-Graphitic Carbon Nanocomposites as Precursors for High-Performance O₂-Evolution Electrocatalysts Advanced Energy Materials 8(35), 1802404. https://doi.org/10.1002/aenm.201802404
• Greiner, M.T., Jones, T.E., Beeg, S., Zwiener, L., Scherzer, M., Girgsdies, F., Piccinin, S., Armbrüster, M., Knop-Gericke, A., Schlögl, R. (2018). Free-atom-like d states in single-atom alloy catalysts Nature Chemistry 10, 1008-1015. https://doi.org/10.1038/s41557-018-0125-5
• Cao, J., Wang, Z.-J., Huang, X., Rinaldi, A., Greiner, M., Moldovan, G., Joachimi, W., Schlögl, R., Willinger, M. (2018). The ESEM as In Situ Platform for the Study of Gas-Solid Interactions Microscopy and Microanalysis 24(S1), 344-345. https://doi.org/10.1017/S1431927618002210
• Düngen, P., Greiner, M., Böhm, K.H., Spanos, I., Huang, X., Auer, A.A., Schlögl, R., Heumann, S. (2018). Atomically dispersed vanadium oxides on multiwalled carbon nanotubes via atomic layer deposition: A multiparameter optimization Journal of Vacuum Science & Technology A 36(1), 01A126. https://doi.org/10.1116/1.5006783
• Chakrapani, K., Bendt, G., Hajiyani, H., Lunkenbein, T., Greiner, M.T., Masliuk, L., Salamon, S., Landers, J., Schlögl, R., Wende, H., Pentcheva, R., Schulz, S., Behrens, M. (2018). The Role of Composition of Uniform and Highly Dispersed Cobalt Vanadium Iron Spinel Nanocrystals for Oxygen Electrocatalysis ACS Catalysis 8(2), 1259-1267. https://doi.org/10.1021/acscatal.7b03529
• Greiner, M.T., Cao, J., Jones, T.E., Beeg, S., Skorupska, K., Carbonio, E.A., Sezen, H., Amati, M., Gregoratti, L., Willinger, M.G., Knop-Gericke, A., Schlögl, R. (2018). Phase coexistence of multiple copper oxides on AgCu catalysts during ethylene epoxidation ACS Catalysis 8(3), 2286-2295. https://doi.org/10.1021/acscatal.7b04187
• Yi, Y., Weinberg, G., Prenzel, M., Greiner, M., Heumann, S., Becker, S., Schlögl, R. (2017). Electrochemical corrosion of a glassy carbon electrode Catalysis Today 295, 32-40. https://doi.org/10.1016/j.cattod.2017.07.013

Full publications list | ORCID

Selected MPI CEC publications

• Gomez-Capiro, O., Ristig, S., Folke, J.,  Ruland, H. (2023). Challenges in Laboratory Catalytic Testing for Ammonia Decomposition under Industrially Relevant Conditions. Energy Technology, (xx): 2300996, pp. 1-11. doi:10.1002/ente.202300996.
• Hegen, O., Salazar Gomez, J. I., Gruenwald, C., Rettke, A., Sojka, M., Klucken, C., Pickenbrock, J., Filipp, J., Schlögl, R., Ruland, H. (2022). Bridging the Analytical Gap Between Gas Treatment and Reactor Plants in Carbon2Chem (R). CHEMIE INGENIEUR TECHNIK, (94), 1405-1412. doi:10.1002/cite.202200015.
• Ristig, S., Poschmann, M., Folke, J., Gomez-Capiro, O., Chen, Z., Sanchez-Bastardo, N., Schlögl, R., Heumann, S.,  Ruland, H. (2022). Ammonia Decomposition in the Process Chain for a Renewable Hydrogen Supply. Chemie-Ingenieur-Technik, (94), 1413-1425. doi:10.1002/cite.202200003.
• Hegen, O., Salazar Gomez, J. I., Schlögl, R., Ruland, H. (2022). The potential of NO+ and O-2(+center dot) in switchable reagent ion proton transfer reaction time-of-flight mass spectrometry. Mass Spectrometry Reviews, e21770. doi:10.1002/mas.21770.
• Folke, J., Dembele, K., Girgsdies, F., Song, H., Eckert, R., Reitmeier, S., Reitzmann, A., Schlögl, R., Lunkenbein, T., Ruland, H. (2022). Promoter effect on the reduction behavior of wuestite-based catalysts for ammonia synthesis. Catalysis Today, 387, 12-22. doi:10.1016/j.cattod.2021.03.013.
• Sanchez-Bastardo, N., Schlögl, R.,  Ruland, H. (2021). Response to Comment on "Methane Pyrolysis for Zero-Emission Hydrogen Production: A Potential Bridge Technology from Fossil Fuels to a Renewable and Sustainable Hydrogen Economy". Industrial and Engineering Chemistry Research, 60(48), 17795-17796. doi:10.1021/acs.iecr.1c04435.
• Salazar Gomez, J. I., Sojka, M., Klucken, C., Schlögl, R.,  Ruland, H. (2021). Determination of trace compounds and artifacts in nitrogen background measurements by proton transfer reaction time-of-flight mass spectrometry under dry and humid conditions. Journal of Mass Spectrometry, 56(8): e4777, pp. 1-22. doi:10.1002/jms.4777.
• Fan, H., Folke, J., Liu, Z., Girgsdies, F., Ruland, H., Imlau, R., Ruland,H., Heumann, S., Granwehr, J., Eichel,R.- A., Schlögl, R., Frei, E.,Xing, H. (2021) Ultrathin 2D Fe-Nanosheets Stabilized by 2D Mesoporous Silica: Synthesis and Application in Ammonia Synthesis. ACS Appl. Mater. Inerfaces, 13(25), 30187-30197. doi:10.1021/acsami.1c06771
• Salazar Gómez, J.I., Klucken, C., Sojka, M., von der Waydbrink, G., Schlögl, R., Ruland, H. (2020). The HüGaProp‐Container: Analytical Infrastructure for the Carbon2Chem^® Challenge Chemie Ingenieur Technik 92(10), 1514-1524. https://doi.org/10.1002/cite.202000101
• Sánchez-Bastardo, N., Schlögl, R., Ruland, H. (2020). Methane Pyrolysis for CO₂‐Free H₂ Production: A Green Process to Overcome Renewable Energies Unsteadiness Chemie Ingenieur Technik 92(10), 1596-1609. https://doi.org/10.1002/cite.202000029
• Salazar Gómez, J.I., Takhtehfouladi, E.S., Schlögl, R., Ruland, H. (2020). Design and Implementation of a Gas Generating System for Complex Gas Mixtures and Calibration Gases Chemie Ingenieur Technik 92(10), 1574-1585. https://doi.org/10.1002/cite.202000110
• Laudenschleger, D., Ruland, H., Muhler, M. (2020). Identifying the nature of the active sites in methanol synthesis over Cu/ZnO/Al₂O₃ catalysts Nature Communications 11, 3898. https://doi.org/10.1038/s41467-020-17631-5
• He, J., Laudenschleger, D., Schittkowski, J., Machoke, A., Song, H., Muhler, M., Schlögl, R., Ruland, H. (2020). Influence of Contaminants in Steel Mill Exhaust Gases on Cu/ZnO/Al₂O₃ Catalysts Applied in Methanol Synthesis Chemie Ingenieur Technik 92(10), 1525-1532. https://doi.org/10.1002/cite.202000045
• Folke, M., Song, H., Schittkowski, J., Schlögl, R., Ruland, H. (2020). Oxygen Poisoning in Laboratory Testing of Iron‐Based Ammonia Synthesis Catalysts and its Potential Sources Chemie Ingenieur Technik 92(10), 1567-1573. https://doi.org/10.1002/cite.202000100
• Ruland, H., Song, H., Laudenschleger, D., Stürmer, S., Schmidt, S., He, J., Kähler, K., Muhler, M., Schlögl, R. (2020). CO₂ hydrogenation with Cu/ZnO/Al₂O₃: A benchmark study ChemCatChem 12(12), 3216-3222. https://doi.org/10.1002/cctc.202000195
• Salazar Gómez, J.I., Klucken, C., Sojka, M., Masliuk, L., Lunkenbein, T., Schlögl, R., Ruland, H. (2019). Elucidation of artefacts in proton-transfer-reaction time-of-flight mass spectrometers Journal of Mass Spectrometry. https://doi.org/10.1002/jms.4479
• Schittkowski, J., Ruland, H., Laudenschleger, D., Girod, K., Kähler, K., Kaluza, S., Muhler, M., Schlögl, R. (2018). Methanol Synthesis from Steel Mill Exhaust Gases: Challenges for the Industrial Cu/ZnO/Al₂O₃ Catalyst Chemie Ingenieur Technik 90(10), 1419-1429. https://doi.org/10.1002/cite.201800017
• Song, H., Watermann, C., Laudenschleger, D., Yang, F., Ruland, H., Muhler, M. (2018). The effect of the thermal pretreatment on the performance of ZnO/Cr₂O₃ catalysts applied in high-temperature methanol synthesis Molecular Catalysis 451, 76-86. https://doi.org/10.1016/j.mcat.2017.10.033

Full publications list | ORCID | ResearcherID

Selected MPI CEC publications

• Song, F., Straten, J. W., Lin, Y.-M., Ding, Y., Schlögl, R., Heumann, S., Mechler, A. K. (2023). Binder-Free N-Functionalized Carbon Electrodes for Oxygen Evolution Reaction. ChemElectroChem, e202201075, pp. 1-10. doi:10.1002/celc.202201075.
• Ding, Y., Gu, Q., Klyushin, A., Huang, X., Choudhury, S.H., Spanos, I., Song, F., Mom, R., Düngen, P., Mechler, A.K., Schlögl, R., Heumann, S. (2020). Dynamic carbon surface chemistry: revealing the role of carbon in electrolytic water oxidation Journal of Energy Chemistry 47, 155-159. https://doi.org/10.1016/j.jechem.2019.12.006
• Spanos, I., Tesch, M.F., Yu, M., Tüysüz, H., Zhang, J., Feng, X., Müllen, K., Schlögl, R., Mechler, A.K. (2019). A facile protocol for alkaline electrolyte purification and its influence on a Ni-Co oxide catalyst for the oxygen evolution reaction ACS Catalysis 9(9), 8165-8170. https://doi.org/10.1021/acscatal.9b01940
• Lin, Y., Lu, Q., Song, F., Yu, L., Mechler, A.K., Schlögl, R., Heumann, S. (2019) Oxygen Evolution Reaction at Carboon Edge Sites: Activity Evolution and Structure-Function Relationships Clarified by Polycyclic Aromatic Hydrocarbons Angewandte Chemie International Edition 58(26), 8917 8921. https://doi.org/10.1002/anie.201902884
• Mechler, A.K., Sahraie, N.R., Armel, V., Zitolo, A., Sougrati, M.T., Schwämmlein, J.N., Jones, D.J., Jaouen, F. (2018). Stabilization of Iron-Based Fuel Cell Catalysts by Non-Catalytic Platinum Journal of the Electrochemical Society 165(13), F1084-F1091. https://doi.org/10.1149/2.0721813jes

Full publications list | ORCID | ResearcherID | Google Scholar Profile

Newest publications

2025

Fang, W., Zhang, Y., Kang, L., DeBeer, S., Leitner, W., Bordet, A., Risager, A. (2025). Molecularly modified aluminum phosphates as support materials for Ru nanoparticles in selective hydrogenation. Journal of Catalysis, 442, 115911. doi:10.1016/j.jcat.2024.115911.

Sengupta, K., Joyce, J. P., Decamps, L., Kang, L. Q., Björnsson, R., Rüdiger, O., DeBeer, S. (2025). Investigating the Molybdenum Nitrogenase Mechanistic Cycle Using Spectroelectrochemistry. Journal of the American Chemical Society. doi:10.1021/jacs.4c16047.

McCubbin Stephanic, O., Pollock, C. J., Zielinski, K. A., Foschi, W., Rice, D. B., Lois, P., DeBeer, S. (2025). Implementation of simultaneous ultraviolet/visible and x-ray absorption spectroscopy with microfluidics. Review of Scientific Instruments, 96 (1) 015107. doi:10.1063/5.0218572.

2024

Zhang, Y. Y., Levin, N., Kang, L. Q., Müller, F., Zobel, M., DeBeer, S., Leitner, W., Bordet, A. (2024). Design and Understanding of Adaptive Hydrogenation Catalysts Triggered by the H₂CO₂-Formic Acid Equilibrium. Journal of the American Chemical Society, 146 (44), 30057-30067. doi:10.1021/jacs.4c06765.

Zhang, B. F., Joyce, J. P., Wolford, N. J., Brennessel, W. W., DeBeer, S., Neidig, M. L. (2024). Unusual S=1 Four-Coordinate Fe(IV) Complexes Supported by Bisamide Ligands: Syntheses, Characterization, and Electronic Structures. Angewandte Chemie-International Edition, 63 (36). doi:10.1002/anie.202405113.

Zenner, J., Tran, K., Kang, L. Q., Kinzel, N. W., Werle, C., DeBeer, S., Bordet, A., Leitner, W. (2024). Synthesis, Characterization, and Catalytic Application of Colloidal and Supported Manganese Nanoparticles. Chemistry-a European Journal, 30 (25). doi:10.1002/chem.202304228.

Wilson, D. W. N., Fataftah, M. S., Mathe, Z., Mercado, B. Q., DeBeer, S., Holland, P. L. (2024). Three-Coordinate Nickel and Metal-Metal Interactions in a Heterometallic Iron-Sulfur Cluster. Journal of the American Chemical Society, 146 (6), 4013-4025. doi:10.1021/jacs.3c12157.

Wahl, I. M., Sengupta, K., van Gastel, M., Decamps, L., DeBeer, S. (2024). Understanding the P-Cluster of Vanadium Nitrogenase: an EPR and XAS Study of the Holo vs. Apo Forms of the Enzyme. ChemBioChem. e202400833. doi:10.1002/cbic.202400833.

Van Stappen, C., Van Kuiken, B. E., Mörtel, M., Ruotsalainen, K. O., Maganas, D., Khusniyarov, M. M., DeBeer, S. (2024). Correlating Valence and 2p3d RIXS Spectroscopies: A Ligand-Field Study of Spin-Crossover Iron(II). Inorganic Chemistry, 63 (16), 7386-7400. doi:10.1021/acs.inorgchem.4c00435.

Tamhankar, A., Wensien, M., Jannuzzi, S. A. V., Chatterjee, S., Lassalle-Kaiser, B., Tittmann, K., DeBeer, S. (2024). In Solution Identification of the Lysine-Cysteine Redox Switch with a NOS Bridge in Transaldolase by Sulfur K-Edge X-ray Absorption Spectroscopy. Journal of Physical Chemistry Letters, 15 (16), 4263-4267. doi:10.1021/acs.jpclett.4c00484.

Tagliavini, V., Duan, P. C., Chatterjee, S., Ferretti, E., Dechert, S., Demeshko, S., Kang, L. Q., Peredkov, S., DeBeer, S., Meyer, F. (2024). Cooperative Sulfur Transformations at a Dinickel Site: A Metal Bridging Sulfur Radical and Its H-Atom Abstraction Thermochemistry. Journal of the American Chemical Society, 146 (33), 23158-23170. doi:10.1021/jacs.4c05113.

Souilah, C., Jannuzzi, S. A. V., Becker, F. J., Demirbas, D., Jenisch, D., Ivlev, S., Xie, X. L., Peredkov, S., Lichtenberg, C., DeBeer, S., Casitas, A. (2024). Synthesis of Iron(IV) Alkynylide Complexes and Their Reactivity to Form 1,3-Diynes. Angewandte Chemie-International Edition. doi:10.1002/anie.202421222.

Salati, M., Dorchies, F., Wang, J. W., Ventosa, M., González-Carrero, S., Bozal-Ginesta, C., Holub, J., Rüdiger, O., DeBeer, S., Gimbert-Suriñach, C., Durrant, J. R., Ertem, M. Z., Gil-Sepulcre, M., Llobet, A. (2024). Covalent Triazine-Based Frameworks with Ru-tda Based Catalyst Anchored via Coordination Bond for Photoinduced Water Oxidation. Small. doi:10.1002/smll.202406375.

Roemelt, C., Peredkov, S., Neese, F., Roemelt, M., DeBeer, S. (2024). Valence-to-core X-ray emission spectroscopy of transition metal tetrahalides: mechanisms governing intensities. Physical Chemistry Chemical Physics, 26 (29), 19960-19975. doi:10.1039/d4cp00967c.

Rice, D. B., Wong, D. N., Weyhermüller, T., Neese, F., DeBeer, S. (2024). The spin-forbidden transition in iron(IV)-oxo catalysts relevant to two-state reactivity. Science Advances, 10 (26). doi:10.1126/sciadv.ado1603.

Reichle, S., Kang, L. Q., Demirbas, D., Weidenthaler, C., Felderhoff, M., DeBeer, S., Schüth, F. (2024). Mechanocatalytic Synthesis of Ammonia: State of the Catalyst During Reaction and Deactivation Pathway. Angewandte Chemie-International Edition, 63 (14). doi:10.1002/anie.202317038.

Rana, A., Peredkov, S., Behrens, M., DeBeer, S. (2024). Probing the Local Environment in Potassium Salts and Potassium-Promoted Catalysts by Potassium Valence-to-Core X-ray Emission Spectroscopy. Inorganic Chemistry, 63 (35), 16217-16223. doi:10.1021/acs.inorgchem.4c02069.

Puja De, G., Singh, K. K., Jannuzzi, S. A. V., Mohanty, A., Velasco, L., Kulbir, Kumar, P., Marco, J. F., Nagarajan, K., Pecharromán, C., Rodríguez-Pascual, P. M., DeBeer, S., Moonshiram, D., Sen Gupta, S., Dasgupta, J. (2024). Trapping an Elusive Fe(IV)-Superoxo Intermediate Inside a Self-Assembled Nanocage in Water at Room Temperature. J. Am. Chem. Soc., 146 (31), 21729-21741. doi:10.1021/jacs.4c05849.

Porte, V., Milunovic, M. N. M., Knof, U., Leischner, T., Danzl, T., Kaiser, D., Gruene, T., Zalibera, M., Jelemenska, I., Bucinsky, L., Jannuzzi, S. A. V., DeBeer, S., Novitchi, G., Maulide, N., Arion, V.B. (2024). Chemical and Redox Noninnocence of Pentane - 2,4- dione Bis(S- methylisothiosemicarbazone) in Cobalt Complexes and Their Application in Wacker-Type Oxidation. JACS Au, 4 (3), 1166-1183. doi:10.1021/jacsau.4c00005.

Peredkov, S., Pereira, N., Grötzsch, D., Hendel, S., Wallacher, D., DeBeer  S. (2024). PINK: a tender X-ray beamline for X-ray emission spectroscopy. Journal of Synchrotron Radiation, 31, 622-634. doi:10.1107/s1600577524002200.

Munzone, A., Pujol, M., Tamhankar, A., Joseph, C., Mazurenko, I., Réglier, M., Jannuzzi, S. A. V., Royant, A., Sicoli, G., DeBeer, S., Orio, M., Simaan, A. J., Decroos, C. (2024). Integrated Experimental and Theoretical Investigation of Copper Active Site Properties of a Lytic Polysaccharide Monooxygenase from Serratia marcescens. Inorganic Chemistry, 63 (24), 11063-11078. doi:10.1021/acs.inorgchem.4c00602.

Luo, Z. M., Wang, J. W., Nikolaou, V., Garcia-Padilla, E., Gil-Sepulcre, M., Benet-Buchholz, J., Rüdiger, O., DeBeer, S., Maseras, F., Llobet, A. (2024). Molecular Hybrid Materials for Selective CO₂ Electroreduction to Multicarbon Products. Advanced Energy Materials, 14 (43). doi:10.1002/aenm.202402070.

Le, L. N. V., Joyce, J. P., Oyala, P. H., DeBeer, S., Agapie, T. (2024). Highly Activated Terminal Carbon Monoxide Ligand in an Iron-Sulfur Cluster Model of FeMco with Intermediate Local Spin State at Fe. Journal of the American Chemical Society, 146 (8), 5045-5050. doi:10.1021/jacs.3c12025.

Kumar, A., Gil-Sepulcre, M., Lee, J. S., Bui, V. Q., Wang, Y., Rüdiger, O., Kim, M. G., DeBeer, S., Tüysüz, H. (2024). Iridium Single-Atom-Ensembles Stabilized on Mn-Substituted Spinel Oxide for Durable Acidic Water Electrolysis. Advanced Materials, 36 (46). doi:10.1002/adma.202401648.

Kumar, A., Gil-Sepulcre, M., Fandré, J. P., Rüdiger, O., Kim, M. G., DeBeer, S., Tüysüz, H. (2024). Regulating Local Coordination Sphere of Ir Single Atoms at the Atomic Interface for Efficient Oxygen Evolution Reaction. Journal of the American Chemical Society, 146 (48), 32953-32964. doi:10.1021/jacs.4c08847.

Keilwerth, M., Mao, W. Q., Malischewski, M., Jannuzzi, S. A. V., Breitwieser, K., Heinemann, F. W., Scheurer, A., DeBeer, S., Munz, D., Bill, E., Meyer, K. (2024). The synthesis and characterization of an iron(VII) nitrido complex. Nature Chemistry, 16 (4). doi:10.1038/s41557-023-01418-4.

He, B., Hosseini, P., Escalera-López, D., Schulwitz, J., Rüdiger, O., Hagemann, U., Heidelmann, M., DeBeer, S., Muhler, M., Cherevko, S., Tschulik, K., Li, T. (2024). Effects of Dynamic Surface Transformation on the Activity and Stability of Mixed Co-Mn Cubic Spinel Oxides in the Oxygen Evolution Reaction in Alkaline Media. Advanced Energy Materials. doi:10.1002/aenm.202403096.

Hahn, A. W., Zsombor-Pindera, J., Kennepohl, P., DeBeer, S. (2024). Introducing SpectraFit: An Open-Source Tool for Interactive Spectral Analysis. Acs Omega, 9 (22), 23252-23265. doi:10.1021/acsomega.3c09262.

Geoghegan, B. L., Bilyj, J. K., Bernhardt, P. V., DeBeer, S., Cutsail, G. E., III (2024). X-ray absorption and emission spectroscopy of N₂S₂ Cu(ii)/(iii) complexes. Dalton Transactions, 53 (18), 7828-7838. doi:10.1039/d4dt00085d.

Fataftah, M. S., Wilson, D. W. N., Mathe, Z., Gerard, T. J., Mercado, B. Q., DeBeer, S., Holland, P. L. (2024). Inserting Three-Coordinate Nickel into 4Fe-4S Clusters. ACS Central Science, 10 (10), 1910-1919. doi:10.1021/acscentsci.4c00985.

Debnath, S., Laxmi, S., Stepanic, O. M., Quek, S. Y., van Gastel, M., DeBeer, S., Kramer, T., England, J. (2024). A Four-Coordinate End-On Superoxocopper(II) Complex: Probing the Link between Coordination Number and Reactivity. Journal of the American Chemical Society, 146 (34), 23704-23716. doi:10.1021/jacs.3c12268.

Chen, Z., Fan, Q., Wang, X., Kang, L., Wan, W., Avaro, J. T., Zhang, S., Scheu, C., Zhou, J., DeBeer, S., Heumann, S., Huang, M., Jiang, H., Cölfen, H. (2024). Mechanistic insights into the formation of hydroxides with unconventional coordination environments to achieve their cost-effective synthesis. National Science Review, nwae427. doi: 10.1093/nsr/nwae427.

Chen, S. L., Jelic, J., Rein, D., Najafishirtari, S., Schmidt, F. P., Girgsdies, F., Kang, L. Q., Wandzilak, A., Rabe, A., Doronkin, D. E., Wang, J. H., Ortega, K. F., DeBeer, S., Grunwaldt, J. D., Schlögl, R., Lunkenbein, T., Studt, F., Behrens, M. (2024). Highly loaded bimetallic iron-cobalt catalysts for hydrogen release from ammonia. Nature Communications, 15 (1). doi:10.1038/s41467-023-44661-6.

Castillo, R. G., Van Kuiken, B. E., Weyhermüller, T., DeBeer, S. (2024). Experimentally Assessing the Electronic Structure and Spin-State Energetics in MnFe Dimers Using 1s3p Resonant Inelastic X-ray Scattering. Inorganic Chemistry, 63 (39), 18468-18483. doi:10.1021/acs.inorgchem.4c01538.

2023

Zhang, Y. Y., El Sayed, S., Kang, L. Q., Sanger, M., Wiegand, T., Jessop, P. G., DeBeer, S., Bordet, A., Leitner, W. (2023). Adaptive Catalysts for the Selective Hydrogenation of Bicyclic Heteroaromatics using Ruthenium Nanoparticles on a CO₂-Responsive Support. Angewandte Chemie-International Edition, 62 (48). doi:10.1002/anie.202311427.

Yogendra, S., Wilson, D. W. N., Hahn, A. W., Weyhermüller, T., Van Stappen, C., Holland, P., DeBeer, S. (2023). Sulfur-Ligated 2Fe-2C Clusters as Synthetic Model Systems for Nitrogenase. Inorganic Chemistry, 62 (6), 2663-2671. doi:10.1021/acs.inorgchem.2c03693.

Wandzilak, A., Grubel, K., Skubi, K. L., McWilliams, S. F., Bessas, D., Rana, A., Hugenbruch, S., Dey, A., Holland, P. L., DeBeer, S. (2023). Mossbauer and Nuclear Resonance Vibrational Spectroscopy Studies of Iron Species Involved in N-N Bond Cleavage. Inorganic Chemistry, 62 (45), 18449-18464. doi:10.1021/acs.inorgchem.3c02594.

Velasco, L., Liu, C. M., Zhang, X. Y., Grau, S., Gil-Sepulcre, M., Gimbert-Suriñach, C., Picón, A., Llobet, A., DeBeer, S., Moonshiram, D. (2023). Mapping the Ultrafast Mechanistic Pathways of Co Photocatalysts in Pure Water through Time-Resolved X-ray Spectroscopy. ChemSusChem, 16 (21), e202300719. doi:10.1002/cssc.202300719.

Van Stappen, C., Benediktsson, B., Rana, A., Chumakov, A., Yoda, Y., Bessas, D., Decamps, L., Bjornsson, R., DeBeer, S. (2023). Structural correlations of nitrogenase active sites using nuclear resonance vibrational spectroscopy and QM/MM calculations. Faraday Discussions, 243 (0), 253-269. doi:10.1039/d2fd00174h.

Sodreau, A., Zahedi, H. G., Dervisoglu, R., Kang, L. Q., Menten, J., Zenner, J., Terefenko, N., DeBeer, S., Wiegand, T., Bordet, A., Leitner, W. (2023). A Simple and Versatile Approach for the Low-Temperature Synthesis of Transition Metal Phosphide Nanoparticles from Metal Chloride Complexes and P(SiMe₃)₃. Advanced Materials, 35 (49). doi:10.1002/adma.202306621.

Pielsticker, L., Nicholls, R. L., DeBeer, S., Greiner, M. (2023). Convolutional neural network framework for the automated analysis of transition metal X-ray photoelectron spectra. Analytica Chimica Acta, 1271. doi:10.1016/j.aca.2023.341433.

Pang, Y., Nöthling, N., Leutzsch, M., Kang, L. Q., Bill, E., van Gastel, M., Reijerse, E., Goddard, R., Wagner, L., SantaLucia, D., DeBeer, S., Neese, F., Cornella, J. (2023). Synthesis and isolation of a triplet bismuthinidene with a quenched magnetic response. Science, 380 (6649), 1043-1048. doi:10.1126/science.adg2833.

Martini, M. A., Bikbaev, K., Pang, Y. J., Lorent, C., Wiemann, C., Breuer, N., Zebger, I., DeBeer, S., Span, I., Bjornsson, R., Birrell, J. A., Rodríguez-Maciá, P. (2023). Binding of exogenous cyanide reveals new active-site states in FeFe hydrogenases. Chemical Science, 14 (11), 2826-2838. doi:10.1039/d2sc06098a.

Mao, W. Q., Zhang, Z. H., Fehn, D., Jannuzzi, S. A. V., Heinemann, F. W., Scheurer, A., van Gastel, M., DeBeer, S., Munz, D., Meyer, K. (2023). Synthesis and Reactivity of a Cobalt-Supported Singlet Nitrene. Journal of the American Chemical Society, 145 (25), 13650-13662. doi:10.1021/jacs.3c01478.

Liu, Y., Chatterjee, S., Cutsail, G. E., III, Peredkov, S., Gupta, S. K., Dechert, S., DeBeer, S., Meyer, F. (2023). Cu₄S Cluster in "0-Hole" and "1-Hole" States: Geometric and Electronic Structure Variations for the Active Cu_Z* Site of N₂O Reductase. Journal of the American Chemical Society. doi:10.1021/jacs.3c04893.

Kovel, C. B., Darmon, J. M., Stieber, S. C. E., Pombar, G., Pabst, T. P., Theis, B., Turner, Z. R., Üngör, Ö., Shatruk, M., DeBeer, S., Chirik, P. J. (2023). Bimolecular Reductive Elimination of Ethane from Pyridine(diimine) Iron Methyl Complexes: Mechanism, Electronic Structure, and Entry into 2+2 Cycloaddition Catalysis. Journal of the American Chemical Society. doi:10.1021/jacs.2c10547.

Keilwerth, M., Mao, W. Q., Jannuzzi, S. A. V., Grunwald, L., Heinemann, F. W., Scheurer, A., Sutter, J., DeBeer, S., Munz, D., Meyer, K. (2023). From Divalent to Pentavalent Iron Imido Complexes and an Fe(V) Nitride via N-C Bond Cleavage. Journal of the American Chemical Society, 145 (2), 873-887. doi:10.1021/jacs.2c09072.

Hou, K. P., Börgel, J., Jiang, H. Z. H., SantaLucia, D. J., Kwon, H., Zhuang, H., Chakarawet, K., Rohde, R. C., Taylor, J. W., Dun, C. C., Paley, M. V., Turkiewicz, A. B., Park, J. G., Mao, H. Y., Zhu, Z. T., Alp, E. E., Zhao, J. Y., Hu, M. Y., Lavina, B., Peredkov, S., Lv, X. D., Oktawiec, J., Meihaus, K. R., Pantazis, D. A., Vandone, M., Colombo, V., Bill, E., Urban, J. J., Britt, R. D., Grandjean, F., Long, G. J., DeBeer, S., Neese, F., Reimer, J. A., Long, J. R. (2023). Reactive high-spin iron(IV)-oxo sites through dioxygen activation in a metal-organic framework. Science, 382 (6670), 547-553. doi:10.1126/science.add7417.

Hau, J. L., Kaltwasser, S., Muras, V., Casutt, M. S., Vohl, G., Claussen, B., Steffen, W., Leitner, A., Bill, E., Cutsail, G. E., DeBeer, S., Vonck, J., Steuber, J., Fritz, G. (2023). Conformational coupling of redox-driven Na⁺-translocation in Vibrio cholerae NADH:quinone oxidoreductase. Nature Structural & Molecular Biology, 30 (11). doi:10.1038/s41594-023-01099-0.

Hall, K. R., Joseph, C., Ayuso-Fernández, I., Tamhankar, A., Rieder, L., Skaali, R., Golten, O., Neese, F., Rohr, Å., Jannuzzi, S. A. V., DeBeer, S., Eijsink, V. G. H., Sorlie, M. (2023). A Conserved Second Sphere Residue Tunes Copper Site Reactivity in Lytic Polysaccharide Monooxygenases. Journal of the American Chemical Society. doi:10.1021/jacs.3c05342.

Ghaida, F. A., Brinkert, K., Chen, P., DeBeer, S., Hoffman, B. M., Holland, P. L., Laxmi, S., MacFarlane, D., Peters, J. C., Peters, J. W., Pickett, C. J., Seefeldt, L. C., Shylin, S. I., Stephens, I. E. L., Vincent, K. A., Wang, Q. R., Westhead, O. (2023). Enzymatic N₂ activation: general discussion. Faraday Discussions, 243, 287-295. doi:10.1039/d3fd90011h.

Genoux, A., Pauly, M., Rooney, C. L., Choi, C., Shang, B., McGuigan, S., Fataftah, M. S., Kayser, Y., Suhr, S. C. B., DeBeer, S., Wang, H. L., Maggard, P. A., Holland, P. L. (2023). Well-Defined Iron Sites in Crystalline Carbon Nitride. Journal of the American Chemical Society, 145 (38), 20739-20744. doi:10.1021/jacs.3c05417.

Erbe, A., Tesch, M. F., Ruediger, O., Kaiser, B., DeBeer, S., Rabe, M. (2023). Operando studies of Mn oxide based electrocatalysts for the oxygen evolution reaction. Physical Chemistry Chemical Physics, 25 (40), 26958-26971. doi:10.1039/d3cp02384b.

Chrysina, M., Drosou, M., Castillo, R. G., Reus, M., Neese, F., Krewald, V., Pantazis, D. A., DeBeer, S. (2023). Nature of S-States in the Oxygen-Evolving Complex Resolved by High-Energy Resolution Fluorescence Detected X-ray Absorption Spectroscopy. Journal of the American Chemical Society, 145 (47), 25579-25594. doi:10.1021/jacs.3c06046.

Caserta, G., Hartmann, S., Van Stappen, C., Karafoulidi-Retsou, C., Lorent, C., Yelin, S., Keck, M., Schoknecht, J., Sergueev, I., Yoda, Y., Hildebrandt, P., Limberg, C., DeBeer, S., Zebger, I., Frielingsdorf, S., Lenz, O. (2023). Stepwise assembly of the active site of NiFe-hydrogenase. Nature  Chemical Biology, 19 (4), 498. doi:10.1038/s41589-022-01226-w.

Anandaraj, S. J. L., Kang, L. Q., DeBeer, S., Bordet, A., Leitner, W. (2023). Catalytic Hydrogenation of CO₂ to Formate Using Ruthenium Nanoparticles Immobilized on Supported Ionic Liquid Phases. Small, 19 (18). doi:10.1002/smll.202206806.

2022

Yu, M. Q., Weidenthaler, C., Wang, Y., Budiyanto, E., Sahin, E. O., Chen, M. M., DeBeer, S., Rüdiger, O., Tüysüz, H. (2022). Surface Boron Modulation on Cobalt Oxide Nanocrystals for Electrochemical Oxygen Evolution Reaction. Angewandte Chemie-International Edition, 61 (42). doi:10.1002/anie.202211543.

Xiang, W. K., Yang, N. T., Li, X. P., Linnemann, J., Hagemann, U., Ruediger, O., Heidelmann, M., Falk, T., Aramini, M., DeBeer, S., Muhler, M., Tschulik, K., Li, T. (2022). 3D atomic-scale imaging of mixed Co-Fe spinel oxide nanoparticles during oxygen evolution reaction. Nature Communications, 13 (1). doi:10.1038/s41467-021-27788-2.

Van Stappen, C., Jiménez-Vicente, E., Pérez-González, A., Yang, Z. Y., Seefeldt, L. C., DeBeer, S., Dean, D. R., Decamps, L. (2022). A conformational role for NifW in the maturation of molybdenum nitrogenase P-cluster. Chemical Science, 13 (12), 3489-3500. doi:10.1039/d1sc06418e.

Souilah, C., Jannuzzi, S. A. V., Demirbas, D., Ivlev, S., Swart, M., DeBeer, S., Casitas, A. (2022). Synthesis of Fe^III and Fe^IV Cyanide Complexes Using Hypervalent Iodine Reagents as Cyano-Transfer One-Electron Oxidants. Angewandte Chemie-International Edition, 61 (22), e202201699. doi:10.1002/anie.202201699.

Sisodiya-Amrute, S., Van Stappen, C., Rengshausen, S., Han, C. H., Sodreau, A., Weidenthaler, C., Tricard, S., DeBeer, S., Chaudret, B., Bordet, A., Leitner, W. (2022). Bimetallic M_xRu_100-x nanoparticles (M = Fe, Co) on supported ionic liquid phases (M_xRu_100-x @SILP) as hydrogenation catalysts: Influence of M and M: Ru ratio on activity and selectivity. Journal of Catalysis, 407, 141-148. doi:10.1016/j.jcat.2022.01.030.

Mao, W. Q., Fehn, D., Heinemann, F. W., Scheurer, A., van Gastel, M., Jannuzzi, S. A., DeBeer, S., Munz, D., Meyer, K. (2022). Umpolung in a Pair of Cobalt(III) Terminal Imido/Imidyl Complexes. Angewandte Chemie-International Edition, 61 (36). doi:10.1002/anie.202206848.

Levin, N., Casadevall, C., Cutsail, G. E., Lloret-Fillol, J., DeBeer, S., Rüdiger, O. (2022). XAS and EPR in Situ Observation of Ru(V) Oxo Intermediate in a Ru Water Oxidation Complex**. Chemelectrochem, 9 (3). doi:10.1002/celc.202101271.

Jedrzkiewicz, D., Mai, J., Langer, J., Mathe, Z., Patel, N., DeBeer, S., Harder, S. (2022). Access to a Labile Monomeric Magnesium Radical by Ball-Milling. Angewandte Chemie-International Edition, 61 (15). doi:10.1002/anie.202200511.

Henthorn, J. T., DeBeer, S. (2022). Selenium Valence-to-Core X-ray Emission Spectroscopy and Kβ HERFD X-ray Absorption Spectroscopy as Complementary Probes of Chemical and Electronic Structure. Inorganic Chemistry, 61 (6), 2760-2767. doi:10.1021/acs.inorgchem.1c02802.

Henthorn, J. T., Cutsail, G. E., Weyhermüller, T., DeBeer, S. (2022). Stabilization of intermediate spin states in mixed-valent diiron dichalcogenide complexes. Nature Chemistry, 14 (3), 328. doi:10.1038/s41557-021-00853-5.

Geoghegan, B. L., Liu, Y., Peredkov, S., Dechert, S., Meyer, F., DeBeer, S., Cutsail, G. E. (2022). Combining Valence-to-Core X-ray Emission and Cu K-edge X-ray Absorption Spectroscopies to Experimentally Assess Oxidation State in Organometallic Cu(I)/(II)/(III) Complexes. Journal of the American Chemical Society, 144 (6), 2520-2534. doi:10.1021/jacs.1c09505.

Decamps, L., Rice, D. B., DeBeer, S. (2022). An Fe₆C Core in All Nitrogenase Cofactors. Angewandte Chemie-International Edition, 61 (41). doi:10.1002/anie.202209190.

Czastka, K., Oughli, A. A., Rüdiger, O., DeBeer, S. (2022). Enzymatic X-ray absorption spectroelectrochemistry. Faraday Discussions, 234, 214-231. doi:10.1039/d1fd00079a.

Cutsail, G. E., DeBeer, S. (2022). Challenges and Opportunities for Applications of Advanced X-ray Spectroscopy in Catalysis Research. Acs Catalysis, 12 (10), 5864-5886. doi:10.1021/acscatal.2c01016.

Cutsail, G. E., III, Banerjee, R., Rice, D. B., Stepanic, O. M., Lipscomb, J. D., DeBeer, S. (2022). Determination of the iron(IV) local spin states of the Q intermediate of soluble methane monooxygenase by Kβ X-ray emission spectroscopy. Journal of Biological Inorganic Chemistry, 27 (6), 573-582. doi:10.1007/s00775-022-01953-4.

Cutsail, G., III, Schott-Verdugo, S., Müller, L., DeBeer, S., Groth, G., Gohlke, H. (2022). Spectroscopic and QM/MM studies of the Cu(I) binding site of the plant ethylene receptor ETR1. Biophysical Journal, 121 (20), 3862-3873. doi:10.1016/j.bpj.2022.09.007.

Chatterjee, S., Harden, I., Bistoni, G., Castillo, R. G., Chabbra, S., van Gastel, M., Schnegg, A., Bill, E., Birrell, J. A., Morandi, B., Neese, F., DeBeer, S. (2022). A Combined Spectroscopic and Computational Study on the Mechanism of Iron-Catalyzed Aminofunctionalization of Olefins Using Hydroxylamine Derived N-O Reagent as the "Amino" Source and "Oxidant". Journal of the American Chemical Society, 144 (6), 2637-2656. doi:10.1021/jacs.1c11083.

Bowker, M., DeBeer, S., Dummer, N. F., Hutchings, G. J., Scheffler, M., Schüth, F., Taylor, S. H., Tüysüz, H. (2022). Advancing Critical Chemical Processes for a Sustainable Future: Challenges for Industry and the Max Planck-Cardiff Centre on the Fundamentals of Heterogeneous Catalysis (FUNCAT). Angewandte Chemie-International Edition, 61 (50), e202209016. doi:10.1002/anie.202209016.

Anilkumar, A., Ash, P., Chakravarty, A. R., Comba, P., DeBeer, S., Dey, A., Draksharapu, A., Goswami, D., Itoh, S., Karlin, K., Lakshmi, K. V., Mazumdar, S., Pantazis, D., Parker, D., Que, L. C., Rajaraman, G., Rath, S. P., Sastri, C., Sen Gupta, S., Solomon, E. I. (2022). Electron transfer, spectroscopy and theory: general discussion. Faraday Discussions, 234 (0), 245-263. doi:10.1039/d2fd90013k.

Alkan, B., Braun, M., Landrot, G., Rüdiger, O., Andronescu, C., DeBeer, S., Schulz, C., Wiggers, H. (2022). Spray-flame-synthesized Sr- and Fe-substituted LaCoO₃ perovskite nanoparticles with enhanced OER activities. Journal of Materials Science, 57 (40), 18923-18936. doi:10.1007/s10853-022-07738-z.

Aldous, L., Comba, P., DeBeer, S., Dey, A., Draksharapu, A., Duboc, C., Itoh, S., Karlin, K., Kundu, S., Domene, R. L., Maréchal, J. D., Mazumdar, S., Mukherjee, R., Parker, D., Pordea, A., Que, L. C., Rath, S. P., Sadler, P., Sastri, C., Schindler, S., Schünemann, V., Sen Gupta, S., Solomon, E. I., Stack, T. D. P. (2022). Small molecule activation and synthetic analogues: general discussion. Faraday Discussions, 234 (0), 129-142. doi:10.1039/d2fd90012b.

Full publications list | ORCID

Selected MPI CEC publications

• Chongdar, N., Rodriguez-Macia, P., Reijerse, E. J., Lubitz, W., Ogata, H., Birrell, J. A. (2023). Redox tuning of the H-cluster by second coordination sphere amino acids in the sensory [FeFe] hydrogenase from Thermotoga maritima. Chemical Science, (14), 3682-3692. doi:10.1039/d2sc06432d.
• Martini, M. A., Bikbaev, K., Pang, Y., Lorent, C., Wiemann, C., Breuer, N., Zebger, I., DeBeer, S., Span, I., Bjornsson, R., Birrell, J. A.,  Rodriguez-Macia, P. (2023). Binding of exogenous cyanide reveals new active-site states in [FeFe] hydrogenases. Chemical Science, (14) 2826-2838.
• Becker, J. M., Lielpetere, A., Szczesny, J., Junqueira, J. R. C., Rodriguez-Macia, P., Birrell, J. A., Conzuelo, F.,  Schuhmann, W. (2022). Bioelectrocatalytic CO2 Reduction by Redox Polymer-Wired Carbon Monoxide Dehydrogenase Gas Diffusion Electrodes. ACS Applied Materials and Interfaces, (14), 46421-46426. doi:10.1021/acsami.2c09547.
• Becker, J. M., Lielpetere, A., Szczesny, J., Junqueira, J. R. C., Rodriguez-Macia, P., Birrell, J. A., Conzuelo, F.,  Schuhmann, W. (2022). Bioelectrocatalytic CO2 Reduction by Redox Polymer-Wired Carbon Monoxide Dehydrogenase Gas Diffusion Electrodes. ACS Applied Materials and Interfaces, (14), 46421-46426. doi:10.1021/acsami.2c09547.
• Zuchan, K., Nitschke, W., Baymann, F., Breuer, N., Birrell, J. A. (2022). NAD(H)-induced flavosemiquinone stabilization in the electron-confurcating [FeFe]-Hydrogenase (HydABC) of Thermotoga maritima. Biochimica et Biophysica Acta, Bioenergetics, (1863), 148758. doi:10.1016/j.bbabio.2022.148758.
• Zuchan, K., Nitschke, W., Baymann, F., Breuer, N., Birrell, J. (2022). Thermodynamic landscape of the redox-centres in the electron-confurcating [FeFe]-Hydrogenase (HydABC) of Thermotoga maritima. Biochimica et Biophysica Acta, Bioenergetics, 1863: 148757, pp. 55-55. doi:10.1016/j.bbabio.2022.148757.
• Furlan, C., Chongdar, N., Gupta, P., Lubitz, W., Ogata, H., Blaza, J. N., Birrell, J. A. (2022). Structural insights on the mechanism of the electron-bifurcating [FeFe] hydrogenase from Thermotoga maritima. eLife 11, e79361 , 1-20.https://doi.org/10.7554/eLife.79361
• Sanchez, M. L. K., Wiley, S., Reijerse, E. J., Lubitz, W., Birrell, J. A., Dyer, R. B. (2022). Time-Resolved Infrared Spectroscopy Reveals the pH-Independence of the First Electron Transfer Step in the [FeFe] Hydrogenase Catalytic Cycle. The Journal of Physical Chemistry Letters, 13(25), 5986-5990. doi:10.1021/acs.jpclett.2c01467.
• Chatterjee, S., Harden, I., Bistoni, G., Castillo, R. G., Chabbra, S., van Gastel, M., Schnegg, A., Bill, E., Birrell, J. A., Morandi, B., Neese, F., DeBeer, S. (2022). A Combined Spectroscopic and Computational Study on the Mechanism of Iron-Catalyzed Aminofunctionalization of Olefins Using Hydroxylamine Derived N-O Reagent as the "Amino" Source and "Oxidant". Journal of the American Chemical Society, 144(6), 2637-2656. doi:10.1021/jacs.1c11083.
• Lorenzi, M., Ceccaldi, P., Rodriguez-Macia, P., Redman, H. J., Zamader, A., Birrell, J. A., Meszaros, L. S.,  Berggren, G. (2022). Stability of the H-cluster under whole-cell conditions-formation of an H-trans-like state and its reactivity towards oxygen. Journal of Biological Inorganic Chemistry, 27(3), 345-355. doi:10.1007/s00775-022-01928-5.
• Martini, M. A., Rüdiger, O., Breuer, N., Nöring, B., DeBeer, S., Rodriguez-Macia, P., Birrell, J.  (2021). The Nonphysiological Reductant Sodium Dithionite and [FeFe] Hydrogenase: Influence on the Enzyme Mechanism. Journal of the American Chemical Society, (xx), xx-xx. doi:10.1021/jacs.1c07322.
• Pelmenschikov, V., Birrell, J. A., Gee, L. B., Richers, C. P., Reijerse, E. J., Wang, H., Arragain, S.; Mishra, N.; Yoda, Y.; Matsuura, H .;Li, L .; Tamasaku, K.; Rauchfuss, T. B.; Lubitz, W., Cramer, S. P. (2021). Vibrational Perturbation of the [FeFe] Hydrogenase H-Cluster Revealed by (CH)-C-13-H-2-ADT Labeling. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 143(22), 8237-8243. doi:10.1021/jacs.1c02323.
• Hardt, S., Stapf, S., Filmon, D. T., Birrell, J. A., Rüdiger, O., Fourmond, V.,  Léger, C.; Plumeré, N. (2021) Reversible H-2 oxidation and evolution by hydrogenase embedded in a redox polymer film. Nature Catalysis, 4(3), 251-258. doi:10.1038/s41929-021-00586-1.
• Jagilinki, B.P., Ilic, S., Trncik, C., Tyryshkin, A.M., Pike, D.H., Lubitz, W., Bill, E., Einsle, O., Birrell, J.A., Akabayov, B., Noy, D., Nanda, V. (2020). In Vivo Biogenesis of a De Novo Designed Iron−Sulfur Protein ACS Synthetic Biology 9(12), 3400-3407. https://doi.org/10.1021/acssynbio.0c00514
• Rodríguez-Maciá, P., Breuer, N., DeBeer, S., Birrell, J.A. (2020). Insight into the Redox Behavior of the [4Fe–4S] Subcluster in [FeFe] Hydrogenases ACS Catalysis 10(21), 13084-13095. https://doi.org/10.1021/acscatal.0c02771
• Sanchez, M.L.K., Konecny, S.E., Narehood, S.M., Reijerse, E.J., Lubitz, W., Birrell, J.A., Dyer, R.B. (2020). The Laser-Induced Potential-Jump: a Method for Rapid Electron Injection into Oxidoreductase Enzymes The Journal of Physical Chemistry B 120(40), 8750-8760. https://doi.org/10.1021/acs.jpcb.0c05718
• Takeda, K., Kusuoka, R., Birrell, J.A., Yoshida, M., Igarashi, K., Nakamura, N. (2020). Bioelectrocatalysis based on direct electron transfer of fungal pyrroloquinoline quinone-dependent dehydrogenase lacking the cytochrome domain Electrochimica Acta 359, 136982. https://doi.org/10.1016/j.electacta.2020.136982
• Oughli, A.A., Hardt, S., Rüdiger, O., Birrell, J.A., Plumeré, N. (2020). Reactivation of sulfide-protected [FeFe] hydrogenase in a redox-active hydrogel Chemical Communications 56(69), 9958-9961. https://doi.org/10.1039/D0CC03155K
• Rodríguez-Maciá, P., Galle, L., Bjornsson, R., Lorent, C., Zebger, I., Yoda, Y., Cramer, S., DeBeer, S., Span, I., Birrell, J.A. (2020). Caught in the H_inact: Crystal Structure and Spectroscopy Reveal a Sulfur Bound to the Active Site of an O₂‐stable State of [FeFe] Hydrogenase Angewandte Chemie International Edition 59(38), 16786-16794. https://doi.org/10.1002/anie.202005208
• Szczesny, J., Birrell, J.A., Conzuelo, F., Lubitz, W., Ruff, A., Schuhmann, W. (2020). Redox polymer‐based high current density gas diffusion H₂ oxidation bioanode using [FeFe] hydrogenase from Desulfovibrio desulfuricans in a membrane‐free biofuel cell Angewandte Chemie International Edition 59(38), 16506-16510. https://doi.org/10.1002/anie.202006824
• Reijerse, E., Birrell, J.A., Lubitz, W. (2020). Spin Polarization Reveals the Coordination Geometry of the [FeFe] Hydrogenase Active Site in Its CO Inhibited State The Journal of Physical Chemistry Letters 11(12), 4597-4602. https://doi.org/10.1021/acs.jpclett.0c01352
• Van Stappen, C., Decamps, L., Cutsail III, G.E., Bjornsson, R., Henthorn, J.T., Birrell, J.A., DeBeer, S. (2020). The Spectroscopy of Nitrogenases Chemical Reviews 120(12), 5005-5081. https://doi.org/10.1021/acs.chemrev.9b00650
• Birrell, J.A., Pelmenschikov, V., Mishra, N., Wang, H., Yoda, Y., Tamasaku, K., Rauchfuss, T.B., Cramer, S.P., Lubitz, W., DeBeer, S. (2020). Spectroscopic and Computational Evidence that [FeFe] Hydrogenases Operate Exclusively with CO-bridged Intermediates Journal of the American Chemical Society 142(1), 222-232. https://doi.org/10.1021/jacs.9b09745
• Chongdar, N., Pawlak, K., Rüdiger, O., Reijerse, E.J., Rodríguez-Maciá, P., Lubitz, W., Birrell, J.A., Ogata, H. (2020). Spectroscopic and biochemical insight into an electron-bifurcating [FeFe] hydrogenase Journal of Biological Inorganic Chemistry 25(1), 135-148. https://doi.org/10.1007/s00775-019-01747-1
• Reijerse, E.J., Pelmenschikov, V., Birrell, J.A., Richers, C.P., Rauchfuss, T.B., Cramer, S.P., Lubitz, W. (2019). Asymmetry in the Ligand Coordination Sphere of the [FeFe] Hydrogenase Active Site is reflected in the Magnetic Spin Interactions of the Aza-Propanedithiolate Ligand The Journal of Physical Chemistry Letters 10(21), 6794-6799. https://doi.org/10.1021/acs.jpclett.9b02354
• Sanchez, M.L., Sommer, C., Reijerse, E., Birrell, J.A., Lubitz, W., Dyer, R.B. (2019).  Investigating the Kinetic Competency of CrHydA1 [FeFe] Hydrogenase Intermediate States via Time-resolved Infrared Spectroscopy Journal of the American Chemical Society 141(40), 16064 16070. https://doi.org/10.1021/jacs.9b08348
• Schuller, J.M., Birrell, J.A., Tanaka, H., Konuma, T., Wulfhorst, H., Cox, N., Schuller, S.K., Thiemann, J., Lubitz, W., Sétif, P., Ikegami, T., Engel, B.D., Kurisu, G., Nowaczyk, M.M. (2019). Structural adaptations of photosynthetic complex I enable ferredoxin-dependent electron transfer Science 363(6424), 257-260. https://doi.org/10.1126/science.aau3613
• Rodríguez-Maciá, P., Kertess, L., Burnik, J., Birrell, J.A., Hofmann, E., Lubitz, W., Happe, T., Rüdiger, O. (2019). His-ligation to the [4Fe-4S] sub-cluster tunes the catalytic of [FeFe] hydrogenase Journal of the American Chemical Society 141(1), 472-481. https://doi.org/10.1021/jacs.8b11149 
• Rodriguez-Maciá, P., Reijerse, E.J., van Gastel, M., DeBeer, S., Lubitz, W., Rüdiger, O., Birrell, J.A. (2018). Sulfide Protects [FeFe] Hydrogenases from O₂ Journal of the American Chemical Society 140(30), 9346-9350. https://doi.org/10.1021/jacs.8b04339 
• Oughli, A.A., Vélez, M., Birrell, J.A., Schuhmann, W., Lubitz, W., Plumeré, N., Rüdiger, O. (2018). Viologen-modified Electrodes for Protection of Hydrogenases from High Potential Inactivation while Performing H₂ Oxidation at Low Overpotential Dalton Transactions 47(31), 10685-10691. https://doi.org/10.1039/C8DT00955D
• Chongdar, N., Birrell, J.A., Pawlak, K., Sommer, C., Reijerse, E.J., Rudiger, O., Lubitz, W., Ogata, H. (2018). Unique Spectroscopic Properties of the H-Cluster in a Putative Sensory [FeFe] Hydrogenase Journal of the American Chemical Society 140(3), 1057-1068. https://doi.org/10.1021/jacs.7b11287
• Pelmenschikov, V., Birrell, J.A., Pham, C.C., Mishra, N., Wang, H., Sommer, C., Reijerse, E., Richers, C.P., Tamasaku, K., Yoda, Y., Rauchfuss, T.B., Lubitz, W., Cramer, S.P. (2017). Reaction Coordinate Leading to H₂ Production in [FeFe]-Hydrogenase Identified by Nuclear Resonance Vibrational Spectroscopy and Density Functional Theory Journal of the American Chemical Society 139(46), 16894-16902. https://doi.org/10.1021/jacs.7b09751 
• Rodríguez-Maciá, P., Pawlak, K., Rüdiger, O., Reijerse, E.J., Lubitz, W., Birrell, J.A. (2017). Intercluster Redox Coupling Influences Protonation at the H-cluster in [FeFe] Hydrogenases Journal of the American Chemical Society 139(42), 15122-15134. https://doi.org/10.1021/jacs.7b08193
• Birrell, J.A., Rüdiger, O., Reijerse, E.J., Lubitz, W. (2017). Semisynthetic Hydrogenases Propel Biological Energy Research into a New Era Joule 1(1), 61-76. doi.org/10.1016/j.joule.2017.07.009
• Rodríguez-Maciá, P., Reijerse, E., Lubitz, W., Birrell, J.A., Rüdiger, O. (2017). Spectroscopic Evidence of Reversible Disassembly of the [FeFe] Hydrogenase Active Site Journal of Physical Chemistry Letters 8(16), 3834-3839. https://doi.org/10.1021/acs.jpclett.7b01608
• Rodríguez-Maciá, P., Birrell, J.A., Lubitz, W., Rüdiger, O. (2017). Electrochemical Investigations on the Inactivation of the [FeFe] Hydrogenase from Desulfovibrio desulfuricans by O₂ or Light under Hydrogen-Producing Conditions ChemPlusChem 82(4), 540-545. https://doi.org/10.1002/cplu.201600508
• Sommer, C., Adamska-Venkatesh, A., Pawlak, K., Birrell, J.A., Rüdiger, O., Reijerse, E.J., Lubitz, W. (2017). Proton Coupled Electronic Rearrangement within the H-Cluster as an Essential Step in the Catalytic Cycle of [FeFe] Hydrogenases Journal of the American Chemical Society 139(4), 1440-1443. https://doi.org/10.1021/jacs.6b12636
• Birrell, J.A., Wrede, K., Pawlak, K., Rodríguez-Maciá, P., Rüdiger, O., Reijerse, E.J., Lubitz, W. (2016). Artificial Maturation of the Highly Active Heterodimeric [FeFe] Hydrogenase from Desulfovibrio desulfuricans ATCC 7757 Israel Journal of Chemistry 56(9-10), 852-863. https://doi.org/10.1002/ijch.201600035
• Birrell, J.A., Laurich, C., Reijerse, E.J., Ogata, H., Lubitz, W. (2016). Importance of Hydrogen Bonding in Fine Tuning the [2Fe-2S] Cluster Redox Potential of HydC from Thermotoga maritima Biochemistry 55(31), 4344-4355. https://doi.org/10.1021/acs.biochem.6b00341
• Kutin, Y., Srinivas, V., Fritz, M., Kositzki, R., Shafaat, H.S., Birrell, J., Bill, E., Haumann, M., Lubitz, W., Högbom, M., Griese, J.J., Cox, N. (2016). Divergent assembly mechanisms of the manganese/iron cofactors in R2lox and R2c proteins Journal of Inorganic Biochemistry 162, 164-177. https://doi.org/10.1016/j.jinorgbio.2016.04.019

Full publications list | ORCID | ResearcherID | Google Scholar Profile

Selected MPI CEC publications

• Pang, Yunjie, Y.,  Bjornsson, R. (2023). The state of FeMoco: one hydride, two hydrides or dihydrogen? Physical Chemistry Chemical Physics, 25(31), 21020-21036. doi:10.1039/d3cp01106b.
• Evans, R. M., Beaton, S. E., Macia, P. R., Pang, Y., Wong, K. L., Kertess, L., Myers, W. K., Bjornsson, R., Ash, P. A., Vincent, K. A., Carr, S. B.,  Armstrong, F. A. (2023). Comprehensive structural, infrared spectroscopic and kinetic investigations of the roles of the active-site arginine in bidirectional hydrogen activation by the [NiFe]-hydrogenase 'Hyd-2' from Escherichia coli. Chemical Science, 14(32), 8531-8551. doi:10.1039/d2sc05641k.
• Van Stappen, C., Benediktsson, B., Rana, A., Chumakov, A., Yoda, Y., Bessas, D., Decamps, L. B., Bjornsson, R.,  DeBeer, S. (2023). Structural correlations of nitrogenase active sites using nuclear resonance vibrational spectroscopy and QM/MM calculations. Faraday Discussions,(243) 253-269. doi:10.1039/d2fd00174h.
• Pang, Y.,  Bjornsson, R. (2023). Understanding the Electronic Structure Basis for N2 Binding to FeMoco: A Systematic Quantum Mechanics/Molecular Mechanics Investigation. Inorganic Chemistry, (62), 5357-5375. doi:10.1021/acs.inorgchem.2c03967.
• Martini, M. A., Bikbaev, K., Pang, Y., Lorent, C., Wiemann, C., Breuer, N., Zebger, I., DeBeer, S., Span, I., Bjornsson, R., Birrell, J. A.,  Rodriguez-Macia, P. (2023). Binding of exogenous cyanide reveals new active-site states in [FeFe] hydrogenases. Chemical Science, (14) 2826-2838.
• Spiller, N. B., Bjornsson, R., DeBeer, S., Neese, F. (2021). Carbon Monoxide Binding to the Iron–Molybdenum Cofactor of Nitrogenase: a Detailed Quantum Mechanics/Molecular Mechanics Investigation. Inorganic Chemistry, 60(23), 18031-18047. doi:10.1021/acs.inorgchem.1c02649.
• Cipriani, M., Bjornsson, R., Barclay, M., Terfort, A., Fairbrother, D.H., Ingólfssin, O. (2021). Relative cross sections and appearance energies in electron impact ionization and dissociation of mono-halogenated biphenyls International Journal of Mass Spectrometry 459, 116452. https://doi.org/10.1016/j.ijms.2020.116452
• Monger, L. J., Razinkov, D., Bjornsson, R.,  Suman, S. G. (2021). Synthesis, Characterization, and Reaction Studies of Pd(II) Tripeptide Complexes. MOLECULES, 26(17): 5169. doi:10.3390/molecules26175169.
• Galynska, M., Asgeirsson, V., Jonsson, H., Bjornsson, R. (2021) Localized and Delocalized States of a Diamine Cation: Resolution of a Controversy. The Journal of Physical Chemistry Letters, 12(4), 1250-1255. https://doi.org/10.1021/acs.jpclett.0c03651
• Asgeirsson, V., Birgisson, B. O., Bjornsson, R., Becker, U., Neese, F., Riplinger, C., et al. (2021). Nudged Elastic Band Method for Molecular Reactions Using Energy-Weighted Springs Combined with Eigenvector Following. Journal of Chemical Theory and Computation, 17(8), 4929-4945. doi:10.1021/acs.jctc.1c00462.
• Ghosh, D., Bjornsson, R., Damodaran, K.K. (2020). Role of N–Oxide Moieties in Tuning Supramolecular Gel-State Properties Gels 6(4), 41. https://doi.org/10.3390/gels6040041
• Martin, H., Somers, T., Dwyer, M., Robson, R., Pfeffer, F.M., Bjornsson, R., Krämer, T., Kavanagh, K., Velasco-Torrijos, T. (2020). Scaffold Diversity for Enhanced Activity of Glycosylated Inhibitors of Fungal Adhesion RSC Medicinal Chemistry 11(12), 1386-1401. https://doi.org/10.1039/D0MD00224K
• Benediktsson, B., Bjornsson, R. (2020). Quantum Mechanics/Molecular Mechanics Study of Resting-State Vanadium Nitrogenase: Molecular and Electronic Structure of the Iron–Vanadium Cofactor Inorganic Chemistry 59(16), 11514-11527. https://doi.org/10.1021/acs.inorgchem.0c01320
• Rodríguez-Maciá, P., Galle, L., Bjornsson, R., Lorent, C., Zebger, I., Yoda, Y., Cramer, S., DeBeer, S., Span, I., Birrell, J.A. (2020). Caught in the H_inact: Crystal Structure and Spectroscopy Reveal a Sulfur Bound to the Active Site of an O₂‐stable State of [FeFe] Hydrogenase Angewandte Chemie International Edition 59(38), 16786-16794. https://doi.org/10.1002/anie.202005208
• Van Stappen, C., Decamps, L., Cutsail III, G.E., Bjornsson, R., Henthorn, J.T., Birrell, J.A., DeBeer, S. (2020). The Spectroscopy of Nitrogenases Chemical Reviews 120(12), 5005-5081. https://doi.org/10.1021/acs.chemrev.9b00650
• Thorarinsdottir, A.E, Bjornsson, R., Harris, T.D. (2020).  Insensitivity of Magnetic Coupling to Ligand Substitution in a Series of Tetraoxolene Radical-Bridged Fe₂ Complexes Inorganic Chemistry 59(7), 4634-4649. https://doi.org/10.1021/acs.inorgchem.9b03736
• Da Silva, F.F., Thorman, R.M., Bjornsson, R., Lu, H., McElwee-White, L., Ingólsson, O. (2020). Dissociation of the FEBID precursor cis-Pt(CO)₂Cl₂ driven by low-energy electrons Physical Chemistry Chemical Physics 22(11), 6100-6108. https://doi.org/10.1039/C9CP06633K
• Thorhallsson, A.Th., Benediktsson, B., Bjornsson, R. (2019). A model for dinitrogen binding in the E₄ state of nitrogenase Chemical Science 10(48), 11110-11124. https://doi.org/10.1039/c9sc03610e
• Van Stappen, C., Thorhallsson, A.Th., Decamps, L., Bjornsson, R., DeBeer, S. (2019). Resolving the structure of the E₁ state of Mo Nitrogenase through Mo and Fe K-edge EXAFS and QM/MM calculations Chemical Science 10(42), 9807-9821. https://doi.org/10.1039/c9sc02187f  
• Barclay, M., Bjornsson, R., Cipriani, M., Terfort, A., Fairbrother, D.H., Ingȯlfsson, O. (2019). The role of the dihedral angle and excited cation states in ionization and dissociation of mono-halogenated biphenyls; a combined experimental and theoretical coupled cluster study Physical Chemistry Chemical Physics 21, 4556-4567. https://doi.org/10.1039/c8cp07785a
• Thorhallsson, A.Th., Bjornsson, R. (2019). Computational Mechanistic Study of [MoFe₃S₄] Cubanes for Catalytic Reduction of Nitrogenase Substrates Inorganic Chemistry 58(3), 1886-1894. https://doi.org/10.1021/acs.inorgchem.8b02669
• Sterling, C.M., Bjornsson, R. (2019).  A Multi-Step Explicit Solvation Protocol for Calculation of Redox Potentials Journal of Chemical Theory and Computation 15(1), 52-67. https://doi.org/10.1021/acs.jctc.8b00982
• Benediktsson, B., Thorhallsson, A.Th., Bjornsson, R. (2018). QM/MM calculations reveal a bridging hydroxo group in a vanadium nitrogenase crystal structure Chemical Communications 54, 7310 7313. https://doi.org/10.1039/C8CC03793K
• Rees, J.A., Bjornsson, R., Kowalska, J.K., Lima, F.A., Schlesier, J., Sippel, D., Weyhermüller, T., Einsle, O., Kovacs, J.A., DeBeer, S. (2017). Comparative electronic structures of nitrogenase FeMoco and FeVco Dalton Transactions 46(8), 2445-2455. https://doi.org/10.1039/c7dt00128b
• Bjornsson, R., Neese, F., DeBeer, S. (2017). Revisiting the Mössbauer Isomer Shifts of the FeMoco Cluster of Nitrogenase and the Cofactor Charge Inorganic Chemistry 56(3), 1470-1477. https://doi.org/10.1021/acs.inorgchem.6b02540
• Kowalska, J.K., Hahn, A.W., Albers, A., Schiewer, C.E., Bjornsson, R., Lima, F.A., Meyer, F., DeBeer, S. (2016). X-ray Absorption and Emission Spectroscopic Studies of [L₂Fe₂S₂]ⁿ Model Complexes: Implications for the Experimental Evaluation of Redox States in Iron-Sulfur Clusters Inorganic Chemistry 55(9), 4485-4497. https://doi.org/10.1021/acs.inorgchem.6b00295

Full publications list | ORCID

Selected MPI CEC publications

• Van Stappen, C., Benediktsson, B., Rana, A., Chumakov, A., Yoda, Y., Bessas, D., Decamps, L. B., Bjornsson, R.,  DeBeer, S. (2023). Structural correlations of nitrogenase active sites using nuclear resonance vibrational spectroscopy and QM/MM calculations. Faraday Discussions, (xx), xx-xx. doi:10.1039/d2fd00174h.
• Decamps, L. B., Rice, D. B., DeBeer, S. (2022). An Fe6C Core in All Nitrogenase Cofactors. Angewandte Chemie International Edition,(61) e202209190, pp. 1-3. doi:10.1002/anie.202209190.
• Van Stappen, C., Jimenez-Vicente, E., Perez-Gonzalez, A., Yang, Z.-Y., Seefeldt, L. C., DeBeer, S., Dean, D. R.,  Decamps, L. B. (2022). A conformational role for NifW in the maturation of molybdenum nitrogenase P-cluster. Chemical Science, 13(13), 3489-3500. doi:10.1039/d1sc06418e.
• Van Stappen, C., Decamps, L., DeBeer, S. (2021). Preparation and Spectroscopic Characterization of Lyophilized Mo Nitrogenase Journal of the Biological Inorganic Chemistry. 26:81–91  https://doi.org/10.1007/s00775-020-01838-4   
• Van Stappen, C., Decamps, L., Cutsail III, G.E., Bjornsson, R., Henthorn, J.T., Birrell, J.A., DeBeer, S. (2020). The Spectroscopy of Nitrogenases Chemical Reviews 120(12), 5005-5081. https://doi.org/10.1021/acs.chemrev.9b00650
• Van Stappen, C., Thorhallsson, A.T., Decamps, L., Bjornsson, R., DeBeer, S. (2019). Resolving the structure of the E₁ state of Mo Nitrogenase through Mo and Fe K-edge EXAFS and QM/MM calculations Chemical Science 10(42), 9807-9821. https://doi.org/10.1039/c9sc02187f

Full publications list | ResearcherID

Selected MPI CEC publications

• Liu, Y., Chatterjee, S., Cutsail III, G. E., Peredkov, S., Gupta, S. K., Dechert, S., DeBeer, S., Meyer, F. (2023). Cu4S Cluster in "0-Hole" and "1-Hole" States: Geometric and Electronic Structure Variations for the Active Cu-Z* Site of N2O Reductase. Journal of the American Chemical Society, 145(33), 18477-18486. doi:10.1021/jacs.3c04893.
• Geoghegan, B. L., Liu, Y., Peredkov, S., Dechert, S., Meyer, F., DeBeer, S., Cutsail III, G. E. (2022). Combining Valence-to-Core X-ray Emission and Cu K-edge X-ray Absorption Spectroscopies to Experimentally Assess Oxidation State in Organometallic Cu(I)/(II)/(III) Complexes. Journal of the American Chemical Society, 144(6), 2520-2534. doi:10.1021/jacs.1c09505.
• Zimmermann, P., Peredkov, S., Abdala P.M., DeBeer, S., Tromp, M., Müller, C., van Bokhoven, J.A. (2020). Modern X-ray spectroscopy: XAS and XES in the laboratory Coordination Chemistry Reviews 423, 213466. https://doi.org/10.1016/j.ccr.2020.213466
• Levin, N., Peredkov, S., Weyhermüller, T., Rüdiger, O., Pereira, N.B., Grötzsch, D., Kalinko, A., DeBeer, S. (2020). Ruthenium 4d-to-2p X-ray Emission Spectroscopy: A Simultaneous Probe of the Metal and the Bound Ligands Inorganic Chemistry 59(12), 8272-8283. https://doi.org/10.1021/acs.inorgchem.0c00663
• Szlachetko J., Nachtegaal M., Grolimund D., Knopp G., Peredkov S., Czapla–Masztafiak J., Milne C.J. (2017). A Dispersive Inelastic X-ray Scattering Spectrometer for Use at X-ray Free Electron Lasers Applied Sciences 7(9), 899. https://doi.org/10.3390/app7090899
• Peredkov S., Peters S., Al-Hada M., Erko A., Neeb M., Eberhardt W. (2016). Structural investigation of supported Cu_n clusters under vacuum and ambient air conditions using EXAFS spectroscopy
  Catalysis Science & Technology 6(18), 6942-6952. https://doi.org/10.1039/c6cy00436a
• Meyer J., Niedner-Schatteburg G., Peredkov S., Eberhardt W., Neeb M., Palutke S., Martins M., Wurth W. (2015). The spin and orbital contributions to the total magnetic moments of free Fe, Co and Ni clusters Journal of Chemical Physics 143(10), 104302. https://doi.org/10.1063/1.4929482
• Al-Hada, M., Peters, S., Peredkov, S., Neeb, M., Eberhardt, W. (2015) Nanoisland formation of small Ag_n-clusters on HOPG as determined by inner-shell photoionization spectroscopy Surface Science 639, 43-47. https://doi.org/10.1016/j.susc.2015.03.016
• Dielman, D., Tombers, M., Peters, L., Meyer, J., Peredkov, S., Jalink. L., Neeb, M., Eberhardt, W., Rasing, T., Niedner-Schstteburg, G., Kirilyuk, A. (2015). Orbit and spin resolved magnetic properties of size selected [Co_nRh]⁺ and [Co_nAu]⁺ nanoalloy clusters Physical Chemistry Chemical Physics 17(41), 28372-28378. https://doi.org/10.1039/c5cp01923k

Full publications list | ORCID

Selected MPI CEC publications

• Tarrago, M., Römelt, C., Nehrkorn, J., Schnegg, A., Neese, F., Bill, E.,  Ye, S. (2021). Experimental and Theoretical Evidence for an Unusual Almost Triply Degenerate Electronic Ground State of Ferrous Tetraphenylporphyrin. Inorganic chemistry. doi:10.1021/acs.inorgchem.1c00031.
• Berkefeld, A., Roemelt, M., Römelt, C., Schubert, H., Jeschke, G. (2020). Modulating Effect of Ligand Charge on the Electronic Properties of 2Ni–2S Structures and Implications for Biological 2M–2S Sites Inorganic Chemistry 59(23),17234–17243. https://doi.org/10.1021/acs.inorgchem.0c02467
• Römelt, C., Weyhermüller, T., Wieghardt, K. (2019). Structural characteristics of redox-active pyridine-1,6-diimine complexes: Electronic structures and ligand oxidation levels Coordination Chemistry Reviews 380, 287-317. https://doi.org/10.1016/j.ccr.2018.09.018
• Wang, M., Römelt, C., Weyhermüller, T., Wieghardt, K. (2019). Coordination Modes, Oxidation, and Protonation Levels of 2,6-Pyridinediimine and 2,2′:6′,2′́-Terpyridine Ligands in New Complexes of Cobalt, Zirconium, and Ruthenium. An Experimental and Density Functional Theory Computational Study Inorganic Chemistry 58(1), 121 132. https://doi.org/10.1021/acs.inorgchem.8b01949
• Römelt, C., Ye, S., Bill, E., Weyhermuller, T., van Gastel, M., Neese, F. (2018). Electronic Structure and Spin Multiplicity of Iron Tetraphenylporphyrins in Their Reduced States as Determined by a Combination of Resonance Raman Spectroscopy and Quantum Chemistry Inorganic Chemistry 57(4), 2141-2148. https://doi.org/10.1021/acs.inorgchem.7b03018
• Römelt, C., Song, J.S., Tarrago, M., Rees, J.A., van Gastel, M., Weyhermüller, T., DeBeer, S., Bill, E., Neese, F., Ye, S.  (2017). Electronic Structure of a Formal Iron(0), Porphyrin Complex Relevant to CO₂ Reduction Inorganic Chemistry 56(8), 4745-4750. https://doi.org/10.1021/acs.inorgchem.7b00401

Full publications list | ORCID | ResearcherID | Google Scholar Profile

Selected MPI CEC publications

• Erbe, A., Tesch, M. F., Rüdiger, O., Kaiser, B., DeBeer, S.,  Rabe, M. (2023). Operando studies of Mn oxide based electrocatalysts for the oxygen evolution reaction. Physical Chemistry Chemical Physics, (40), 26933-27894. doi:10.1039/d3cp02384b.
• Alkan, B., Braun, M., Landrot, G., Rüdiger, O., Andronescu, C., DeBeer, S., Schulz, C., Wiggers, H. (2022). Spray-flame-synthesized Sr- and Fe-substituted LaCoO3 perovskite nanoparticles with enhanced OER activities. Journal of Materials Science, (57), 18923-18936. doi:10.1007/s10853-022-07738-z.
• Yu, M., Weidenthaler, C., Wang, Y., Budiyanto, E., Sahin, E. O., Chen, M., DeBeer, S., Rüdiger, O.,  Tueysuez, H. (2022). Surface Boron Modulation on Cobalt Oxide Nanocrystals for Electrochemical Oxygen Evolution Reaction. Angewandte Chemie, International Edition in English, (61): e202211543, pp. 1-12. doi:10.1002/anie.202211543.
• Xiang, W., Yang, N., Li, X., Linnemann, J., Hagemann, U., Ruediger, O.,Heidelmann,M.; Falk, T., Aramani, M., DeBeer, S., Muhler, M.,Tschulik, K., Li, T.. (2022). 3D atomic-scale imaging of mixed Co-Fe spinel oxide nanoparticles during oxygen evolution reaction. Nature Communications, (xx), 1-14. doi:10.1038/s41467-021-277.
• Czastka, K., Alsheikh Oughli, A., Rüdiger, O. ,DeBeer, S. (2022). Enzymatic X-ray Absorption Spectroelectrochemistry. Faraday Discussions, (234), 214-231. doi:10.1039/D1FD00079A.
• Levin, N., Casadevall, C., Cutsail III, G. E., Lloret-Fillol, J., DeBeer, S., Rüdiger, O. (2022). XAS and EPR in Situ Observation of Ru(V) Oxo Intermediate in a Ru Water Oxidation Complex**. CHEMELECTROCHEM, (9): e202101271, pp. 1-4. doi:10.1002/celc.202101271.
• Czastka, K., Alsheikh Oughli, A., Rüdiger, O.,  DeBeer, S. (2021). Enzymatic X-ray Absorption Spectroelectrochemistry. Faraday Discussions, (xx), 1-14. doi:10.1039/x0xx00000x.
• Martini, M. A., Rüdiger, O., Breuer, N., Nöring, B., DeBeer, S., Rodriguez-Macia, P., Birrell, J.  (2021). The Nonphysiological Reductant Sodium Dithionite and [FeFe] Hydrogenase: Influence on the Enzyme Mechanism. Journal of the American Chemical Society, (xx), xx-xx. doi:10.1021/jacs.1c07322.
• Gil-Sepulcre, M., Lindner, J. O., Schindler, D., Velasco, L., Moonshiram, D., Rüdiger, O., De Beer, S., Stepanenko, V., Solano, E., Würthner, F., Llobet, A. (2021). Surface-Promoted Evolution of Ru-bda Coordination Oligomers Boosts the Efficiency of Water Oxidation Molecular Anodes. Journal of the American Chemical Society, 143(30), 11651-11661. doi:10.1021/jacs.1c04738.
• Budiyanto, E., Zerebecki, S., Weidenthaler, C., Kox, T., Kenmoe, S., Spohr, E., DeBeer, S., Rüdiger, O., Reichenberger, S., Barcikowski, S., Tuysuz, H., (2021). Impact of Single-Pulse, Low-Intensity Laser Post-Processing on Structure and Activity of Mesostructured Cobalt Oxide for the Oxygen Evolution Reaction. ACS applied materials & interfaces (13), 51962-51973 doi:10.1021/acsami.1c08034.
• Hardt, S., Stapf, S., Filmon, D. T., Birrell, J. A., Rüdiger, O., Fourmond, V.,  Léger, C.; Plumeré, N. (2021) Reversible H-2 oxidation and evolution by hydrogenase embedded in a redox polymer film. Nature Catalysis, 4(3), 251-258. doi:10.1038/s41929-021-00586-1.
• Oughli, A.A., Hardt, S., Rüdiger, O., Birrell, J.A., Plumeré, N. (2020). Reactivation of sulfide-protected [FeFe] hydrogenase in a redox-active hydrogel Chemical Communications 56(69), 9958-9961. https://doi.org/10.1039/D0CC03155K
• Budiyanto, E., Yu, M., Chen, M., DeBeer, S., Rüdiger, O., Tüysüz, H. (2020). Tailoring Morphology and Electronic Structure of Cobalt Iron Oxide Nanowires for Electrochemical Oxygen Evolution Reaction ACS Applied Energy Materials 3(9), 8583-8594. https://doi.org/10.1021/acsaem.0c01201
• Levin, N., Peredkov, S., Weyhermüller, T., Rüdiger, O., Pereira, N.B., Grötzsch, D., Kalinko, A., DeBeer, S. (2020). Ruthenium 4d-to-2p X-ray Emission Spectroscopy: A Simultaneous Probe of the Metal and the Bound Ligands Inorganic Chemistry 59(12), 8272-8283. https://doi.org/10.1021/acs.inorgchem.0c00663
• Chongdar, N., Pawlak, K., Rüdiger, O., Reijerse, E.J., Rodríguez-Maciá, P., Lubitz, W., Birrell, J.A., Ogata, H. (2020). Spectroscopic and biochemical insight into an electron-bifurcating [FeFe] hydrogenase Journal of Biological Inorganic Chemistry 25(1), 135-148. https://doi.org/10.1007/s00775-019-01747-1
• Kutin, Y., Cox, N., Lubitz, W., Schnegg, A., Rüdiger, O. (2019). In Situ EPR Characterization of a Cobalt Oxide Water Oxidation Catalyst at Neutral pH Catalysts 9(11), 926. https://doi.org/10.3390/catal9110926
• Al Samarai, M., Hahn, A.W., Askari, A.B., Cui, Y.-T., Yamazoe, K., Miyawaki, J., Harada, Y., Rüdiger, O., DeBeer, S. (2019). Elucidation of Structure-Activity Correlations in a Nickel-Manganese Oxide OER Catalyst by Operando Ni L-edge XAS and 2p3d RIXS ACS Applied Materials and Interfaces 11(42), 38595-38605. https://doi.org/10.1021/acsami.9b06752 
• Rodríguez-Maciá, P., Kertess, L., Burnik, J., Birrell, J.A., Hofmann, E., Lubitz, W., Happe, T., Rüdiger, O. (2019). His-ligation to the [4Fe-4S] sub-cluster tunes the catalytic of [FeFe] hydrogenase Journal of the American Chemical Society 141, 472 481. https://doi.org/10.1021/jacs.8b11149
• Shankar, S., Peters, M., Steinborn, K., Krahwinkel, B., Sönnichsen, F.D., Grote, D., Sander, W., Lohmiller, T., Rüdiger, O., Herges, R. (2018). Light-controlled switching of the spin state of iron(III) Nature Communications 9, 4750. https://doi.org/10.1038/s41467-018-07023-1
• Rodriguez-Maciá, P., Reijerse, E.J., van Gastel, M., DeBeer, S., Lubitz, W., Rüdiger, O., Birrell, J.A. (2018). Sulfide Protects [FeFe] Hydrogenases from O₂ Journal of the American Chemical Society 140(30), 9346-9350. https://doi.org/10.1021/jacs.8b04339
• Oughli, A.A., Vélez, M., Birrell, J., Schuhmann, W., Lubitz, W., Plumeré, N., Rüdiger, O. (2018). Viologen-modified Electrodes for Protection of Hydrogenases from High Potential Inactivation while Performing H₂ Oxidation at Low Overpotential Dalton Transactions 47, 10685 10691. https://doi.org/10.1039/C8DT00955D
• Oughli, A.A., Ruff, A., Boralugodage, N.P., Rodríguez-Maciá, P., Plumere, N., Lubitz, W., Shaw, W.J., Schuhmann, W., Rüdiger, O. (2018). Dual properties of a hydrogen oxidation Ni-catalyst entrapped within a polymer promote self-defense against oxygen Nature Communications 9, 864. https://doi.org/10.1038/s41467-018-03011-7
• Kertess, L., Adamska-Venkatesh, A., Rodríguez-Maciá, P., Rüdiger, O., Lubitz, W., Happe, T. (2017). Influence of the [4Fe-4S] cluster coordinating cysteines on active site maturation and catalytic properties of C. reinhardtii [FeFe]-hydrogenase Chemical Science 8(12), 8127-8137. https://doi.org/10.1039/c7sc03444j
• Sommer, C., Adamska-Venkatesh, A., Pawlak, K., Birrell, J.A., Rüdiger, O., Reijerse, E.J., Lubitz, W. (2017). Proton Coupled Electronic Rearrangement within the H-Cluster as an Essential Step in the Catalytic Cycle of [FeFe] Hydrogenases Journal of the American Chemical Society 139(4), 1440 -1443. https://doi.org/10.1021/jacs.6b12636
• Birrell, J.A., Rüdiger, O., Reijerse, E.J., Lubitz, W. (2017). Semisynthetic Hydrogenases Propel Biological Energy Research into a New Era Joule 1(1), 61-76. https://doi.org/10.1016/j.joule.2017.07.009
• Rodríguez-Maciá, P., Reijerse, E., Lubitz, W., Birrell, J.A., Rüdiger, O. (2017). Spectroscopic Evidence of Reversible Disassembly of the [FeFe] Hydrogenase Active Site Journal of Physical Chemistry Letters 8(16), 3834-3839. https://doi.org/10.1021/acs.jpclett.7b01608
• Engelbrecht V., Rodríguez-Maciá P., Esselborn J., Sawyer A., Hemschemeier A., Rüdiger O., Lubitz W., Winkler M., Happe T. (2017). The structurally unique photosynthetic Chlorella variabilis NC64A hydrogenase does not interact with plant-type ferredoxins Biochimica et Biophysica Acta (BBA) – Bioenergetics 1858(9), 771-778. https://doi.org/10.1016/j.bbabio.2017.06.004
• Kertess L., Wittkamp F., Sommer C., Esselborn J., Rüdiger O., Reijerse E.J., Hofmann E., Lubitz W., Winkler M., Happe T., Apfel U.-P. (2017). Chalcogenide substitution in the [2Fe] cluster of [FeFe]-hydrogenases conserves high enzymatic activity Dalton Transactions 46, 16947-16958. https://doi.org/10.1039/c7dt03785f
• Rodríguez-Maciá, P., Pawlak, K., Rüdiger, O., Reijerse, E.J., Lubitz, W., Birrell, J.A. (2017). Intercluster Redox Coupling Influences Protonation at the H-cluster in [FeFe] Hydrogenases Journal of the American Chemical Society 139(42), 15122-15134. https://doi.org/10.1021/jacs.7b08193
• Lampret, O., Adamska-Venkatesh, A., Konegger, H., Wittkamp, F., Apfel, U.-P., Reijerse, E.J., Lubitz, W., Rüdiger, O., Happe, T., Winkler, M. (2017). Interplay between CN^– Ligands and the Secondary Coordination Sphere of the H-Cluster in [FeFe]-Hydrogenases Journal of the American Chemical Society 139(50), 18222-18230. https://doi.org/10.1021/jacs.7b08735
• Rodríguez-Maciá, P., Birrell, J.A., Lubitz, W., Rüdiger, O. (2017). Electrochemical Investigations on the Inactivation of the [FeFe] Hydrogenase from Desulfovibrio desulfuricans by O₂ or Light under Hydrogen-Producing Conditions ChemPlusChem 82(4), 540-545. https://doi.org/10.1002/cplu.201600508
• Rodríguez-Maciá, P., Priyadarshani, N., Dutta, A., Weidenthaler, C., Lubitz, W., Shaw, W.J., Rüdiger, O. (2016). Covalent Attachment of the Water-insoluble Ni(P^Cy₂N^Phe₂) Electrocatalyst to Electrodes Showing Reversible Catalysis in Aqueous Solution Electroanalysis 28(10), 2452-2458. https://doi.org/10.1002/elan.201600306
• Birrell, J.A., Wrede, K., Pawlak, K., Rodríguez-Maciá, P., Rüdiger, O., Reijerse, E.J., Lubitz, W. (2016). Artificial Maturation of the Highly Active Heterodimeric [FeFe] Hydrogenase from Desulfovibrio desulfuricans ATCC 7757 Israel Journal of Chemistry 56(9-10), 852-863. https://doi.org/10.1002/ijch.201600035

Full publications list | ORCID | ResearcherID

Selected MPI CEC publications

• Durin, G., Lee, M., Pogany, M. A., Weyhermüller, T., Kaeffer, N., Leitner, W. (2023). Hydride-Free Hydrogenation: Unraveling the Mechanism of Electrocatalytic Alkyne Semihydrogenation by Nickel-Bipyridine Complexes. JOURNAL OF THE AMERICAN CHEMICAL SOCIETy, 145(31), 17103-17111. doi:10.1021/jacs.3c03340.
• Chang, W.-C., Randel, H., Weyhermüller, T., Auer, A. A. A., Fares, C., Werlé, C. (2023). A Cooperative Rhodium/Secondary Phosphine Oxide [Rh/P(O)nBu(2)] Template for Catalytic Hydrodefluorination of Perfluoroarenes. Angewandte Chemie, International Edition in English, (62): e202219127, pp. 1-10. doi:10.1002/anie.202219127.
• Yogendra, S., Wilson, D. W. N., Hahn, A. W., Weyhermüller, T., Van Stappen, C., Holland, P., DeBeer, S. (2023). Sulfur-Ligated [2Fe-2C] Clusters as Synthetic Model Systems for Nitrogenase. INORGANIC CHEMISTRY, 62(6), 2663-2671. doi:10.1021/acs.inorgchem.2c03693.
• Antico, E., Leutzsch, M., Wessel, N., Weyhermüller, T., Werlé, C., Leitner, W. (2022). Selective oxidation of silanes into silanols with water using [MnBr(CO)(5)] as a precatalyst. Chemical Science, 14(1), 54-60. doi:10.1039/d2sc05959b.
• Harihar, S., Mone, N., Satpute, S. K., Chadar, D., Chakravarty, D., Weyhermüller, T., Butcher, R. J.,  Salunke-Gawali, S. (2022). Metal complexes of a pro-vitamin K3 analog phthiocol (2-hydroxy-3-methylnaphthalene-1,4-dione): synthesis, characterization, and anticancer activity. Dalton Transactions, (51), 17338-17353. doi:10.1039/d2dt02748h.
• Chugh, V., Chatterjee, B., Chang, W.-C., Cramer, H. H., Hindemith, C., Randel, H., Weyhermüller, T., Fares, C.,  Werle, C. (2022). An Adaptive Rhodium Catalyst to Control the Hydrogenation Network of Nitroarenes. Angewandte Chemie, International Edition in English, (61): e202205515, pp. 1-10. doi:10.1002/anie.202205515.
• Henthorn, J. T., Cutsail III, G. E., Weyhermüller, T., DeBeer, S. (2022). Stabilization of intermediate spin states in mixed-valent diiron dichalcogenide complexes. Nature Chemistry, (14), 328-333. doi:10.1038/s41557-021-00853-5.
• Shit, M., Maity, S., Bera, S., Weyhermüller, T., Ghosh, P. (2022). Coordination of o-benzosemiquinonate, o-iminobenzosemiquinonate, 4, 4 '-di-tert-butyl-2,2 '-bipyridine and 1,10-phenanthroline anion radicals to oxidovanadium(IV) (vol 40, pg 10305, 2016). New Journal of Chemistry, 46(7), 3521-3521. doi:10.1039/d2nj90016e.
• Chang, W.-C., Deufel, F., Weyhermüller, T., Fares, C.,  Werlé, C. (2021). Rhodium(I) complexes derived from tris(isopropyl)-azaphosphatrane-controlling the metal-ligand interplay. RSC Advances, 11(59), 37383-37391. doi:10.1039/d1ra07126b.
• Kinzel, N. W., Demirbas, D., Bill, E., Weyhermüller, T., Werlé, C., Kaeffer, N., Leitner, W. (2021). Systematic Variation of 3d Metal Centers in a Redox-Innocent Ligand Environment: Structures, Electrochemical Properties, and Carbon Dioxide Activation. Inorganic Chemistry, (xx), xx-xx. doi:10.1021/acs.inorgchem.1c02909.
• Perdomenico, J., Levin, N., Fierro, A. C., Chernek, O. A. C., Weyhermüller, T., Slep, L. D. (2021). A New Member of the Growing Family of Interconvertible {RuNO}(6,7,8) Species. Redox and Acid-Base Characterization of [Ru((CH(2)py)(2)Me[9]aneN(3))(NO)](n+). European Journal of Inorganic Chemistry, 4842-4855. doi:10.1002/ejic.202100753.
• Chatterjee, B., Jena, S., Chugh, V., Weyhermüller, T., Werle, C. (2021). A Molecular Iron-Based System for Divergent Bond Activation: Controlling the Reactivity of Aldehydes. ACS CATALYSIS, 11(12), 7176-7185. doi:10.1021/acscatal.1c00733.
• Shit, M., Maity, S., Bera, S., Kumar Mudi, P., Biswas, B., Weyhermüller, T., Ghosh, P. (2021). Nickel (II) di-aqua complex containing water cluster: Synthesis, X-ray structure and catecholase activity New Journal of Chemistry, 45, 2221--2227 https://doi.org/10.1039/D0NJ05238H
• Voit, G., Jenthra, S., Hölscher, M., Weyhermüller, T., Leitner, W. (2020). Reversible Insertion of Carbon Dioxide at Phosphine Sulfonamido Pd^II–Aryl Complexes Organometallics 39(24), 4465-4473. https://doi.org/10.1021/acs.organomet.0c00560
• Levin, N., Peredkov, S., Weyhermüller, T., Rüdiger, O., Pereira, N.B., Grötzsch, D., Kalinko, A., DeBeer, S. (2020). Ruthenium 4d-to-2p X-ray Emission Spectroscopy: A Simultaneous Probe of the Metal and the Bound Ligands Inorganic Chemistry 59(12), 8272-8283. https://doi.org/10.1021/acs.inorgchem.0c00663
• Cramer, H.H., Chatterjee, B., Weyhermüller, T., Werlé, C., Leitner, W. (2020). Controlling the Product Platform of Carbon Dioxide Reduction: Adaptive Catalytic Hydrosilylation of CO₂ Using a Molecular Cobalt(II) Triazine Complex Angewandte Chemie International Edition 59(36), 15674-15681. https://doi.org/10.1002/anie.202004463
• Erken, C., Hindemith, C., Weyhermüller, T., Hölscher, M., Werlé, C., Leitner, W. (2020). Hydroamination of Aromatic Alkynes to Imines Catalyzed by Pd(II)–Anthraphos Complexes ACS Omega 5(15), 8912-8918. https://doi.org/10.1021/acsomega.0c00562
• Dutta, D., Kundu, S., Weyhermüller, T., Ghosh, P. (2020). Metal promoted conversion of aromatic amines to ortho-phenylenediimine derivatives by a radical coupling path Dalton Transactions 49(16), 5015-5019. https://doi.org/10.1039/D0DT00089B
• Dinda, S., Patra, S.C., Roy, S., Halder, S., Weyhermüller, T., Pramanik, K., Ganguly, S. (2020). Coligand driven diverse organometallation in benzothiazolyl-hydrazone derivatized pyrene: ortho vs peri C–H activation New Journal of Chemistry 44(4), 1407-1417. https://doi.org/10.1039/c9nj05088d
• Yogendra, S., Weyhermüller, T., Hahn, A.W., DeBeer, S. (2019). From Ylides to Doubly Yldiide-Bridged Iron(II) High Spin Dimers via Self-Protolysis Inorganic Chemistry 58(14), 9358-9367. https://doi.org/10.1021/acs.inorgchem.9b01086
• Kalläne, S.I., Hahn, A.W., Weyhermüller, T., Bill, E., Neese, F., DeBeer, S., van Gastel, M. (2019). Spectroscopic and Quantum Chemical Investigation of Benzene-1,2- dithiolate-Coordinated Diiron Complexes with Relevance to Dinitrogen Activation Inorganic Chemistry 58(8), 5111-5125. https://doi.org/10.1021/acs.inorgchem.9b00177  
• Bhand, S., Landem D.N., Pereira, E., Gejji, S.P., Weyhermüller, T., Chakravarty, D., Puranik, V.G., Salunke-Gawali, S. (2019). Amphiphilic polypyridyl ruthenium complexes: Synthesis, Characterization and Aggregation studies Polyhedron 164, 96-107. https://doi.org/10.1016/j.poly.2019.02.035
• Römelt, C., Weyhermüller, T., Wieghardt, K. (2019). Structural characteristics of redox-active pyridine-1,6-diimine complexes: Electronic structures and ligand oxidation levels Coordination Chemistry Reviews 380, 287-317. https://doi.org/10.1016/j.ccr.2018.09.018
• Wang, M., Römelt, C., Weyhermüller, T., Wieghardt, K. (2019). Coordination Modes, Oxidation, and Protonation Levels of 2,6-Pyridinediimine and 2,2′:6′,2′́-Terpyridine Ligands in New Complexes of Cobalt, Zirconium, and Ruthenium. An Experimental and Density Functional Theory Computational Study Inorganic Chemistry 58(1), 121-132. https://doi.org/10.1021/acs.inorgchem.8b01949
• Erken, C., Kaithal, A., Sen, S., Weyhermüller, T., Hölscher, M., Werlé, C., Leitner, W. (2018). Manganese-catalyzed hydroboration of carbon dioxide and other challenging carbonyl groups Nature Communications 9, 4521. https://doi.org/10.1038/s41467-018-06831-9
• Kundu, S., Dutta, D., Maity, S., Weyhermüller, T., Ghosh, P. (2018). Proton-Coupled Oxidation of a Diarylamine: Amido and Aminyl Radical Complexes of Ruthenium(II) Inorganic Chemistry 57(19), 11948-11960. https://doi.org/10.1021/acs.inorgchem.8b01401
• Levin, N., Codesido N.O., Marcolongo, J.P., Alborés, Weyhermüller, T., Olabe, J.A., Slep, L.D. (2018). Remarkable Changes of the Acidity of Bound Nitroxyl (HNO) in the [Ru(Me₃[9]aneN₃)(L²)(NO)]ⁿ⁺ Family (n = 1-3). Systematic Structural and Chemical Exploration and Bioinorganic Chemistry Implications Inorganic Chemistry 57(19), 12270-12281. https://doi.org/10.1021/acs.inorgchem.8b01958
• Hahn, A.W., Van Kuiken, B.E., Chilkuri, V.G., Levin, N., Bill, E., Weyhermüller, T., Nicolaou, A., Miyawaki, J., Harada, Y., DeBeer, S. (2018). Probing the Valence Electronic Structure of Low-Spin Ferrous and Ferric Complexes Using 2p3d Resonant Inelastic X ray Scattering (RIXS) Inorganic Chemistry 57(37), 11918-11923. https://doi.org/10.1021/acs.inorgchem.8b01550
• Van Kuiken, B.E., Hahn, A.W., Nayyar, B., Schiewer, C.E., Lee, S.C., Meyer, F., Weyhermüller, T., Nicolaou, A., Cui, Y-T., Miyawaki, J., Hatada, Y., DeBeer, S. (2018). Electronic Spectra of Iron-Sulfur Complexes Measured by 2p3d RIXS Spectroscopy Inorganic Chemistry 57(12), 7355-7361. https://doi.org/10.1021/acs.inorgchem.8b01010
• Römelt, C., Ye, S., Bill, E., Weyhermüller, T., van Gastel, M., Neese, F. (2018). Electronic Structure and Spin Multiplicity of Iron Tetraphenylporphyrins in their Reduced States as Determined by a Combination of Resonance Raman Spectroscopy and Quantum Chemistry Inorganic Chemistry 57(4), 2141-2148. doi.org/10.1021/acs.inorgchem.7b03018
• Rees, J.A., Bjornsson, R., Kowalska, J.K., Lima, F.A., Schlesier, J., Sippel, D., Weyhermüller, T., Einsle, O., Kovacs, J.A., DeBeer, S. (2017). Comparative electronic structures of nitrogenase FeMoco and FeVco Dalton Transactions 46(8), 2445-2455. https://doi.org/10.1039/c7dt00128b
• Suturina, E.A., Nehrkorn, J., Zadrozny, J.M., Liu, J., Atanasov, M., Weyhermüller, T., Maganas, D., Hill, S., Schnegg, A., Bill, E., Long, J.R., Neese, F. (2017). Magneto-Structural Correlations in Pseudotetrahedral Forms of the [Co(SPh)₄]^2- Complex Probed by Magnetometry, MCD Spectroscopy, Advanced EPR Techniques, and ab Initio Electronic Structure Calculations Inorganic Chemistry 56(5), 3102-3118. https://doi.org/10.1021/acs.inorgchem.7b00097
• Chowdhury, A.R., Roy, B.G., Jana, S., Weyhermüller, T., Banerjee, P. (2017). A simple cleft shaped hydrazine-functionalized colorimetric new Schiff base chemoreceptor for selective detection of F^- in organic solvent through PET signaling: Development of a chemoreceptor based sensor kit for detection of fluoride Sensors and Actuators B: Chemical 241, 706-715. https://doi.org/10.1016/j.snb.2016.10.095
• Römelt, C., Song, J.S., Tarrago, M., Rees, J.A., van Gastel, M., Weyhermüller, T., DeBeer, S., Bill, E., Neese, F., Ye, S. (2017). Electronic Structure of a Formal Iron(0),Porphyrin Complex Relevant to CO₂ Reduction Inorganic Chemistry 56(8), 4745-4750. https://doi.org/10.1021/acs.inorgchem.7b00401
• Manikandamathavan V.M., Thangaraj M., Weyhermüller T., Parameswari R.P., Punitha V., Murthy N.N., Nair B.U. (2017). Novel mononuclear Cu(II) terpyridine complexes: Impact of fused ring thiophene and thiazole head groups towards DNA/BSA interaction, cleavage and antiproliferative activity on HepG2 and triple negative CAL-51 cell line European Journal of Medicinal Chemistry 135(28), 434-446. https://doi.org/10.1016/j.ejmech.2017.04.030
• Sabenya, G., Lázaro, L., Gambo, I., Martin-Diaconescu, V., Andris, E., Weyhermüller, T., Neese, F., Roithova, J., Bill, E., Lloret-Fillol, J., Costas, M. (2017). Generation, Spectroscopic, and Chemical Characterization of an Octahedral Iron(V)-Nitrido Species with a Neutral Ligand Platform Journal of the American Chemical Society 139(27), 9168-9177. https://doi.org/10.1021/jacs.7b00429
• Hahn, A.W., Van Kuiken, B.E., al Samarai, M., Atanasov, M., Weyhermüller, T., Cui, Y.T., Miyawaki, J., Harada, Y., Nicolaou, A., DeBeer, S. (2017). Measurement of the Ligand Field Spectra of Ferrous and Ferric Iron Chlorides Using 2p3d RIXS Inorganic Chemistry 56(14), 8203-8211. https://doi.org/10.1021/acs.inorgchem.7b00940
• Kowalska, J.K., Nayyar, B., Rees, J.A., Schiewer, C.E., Lee, S.C., Kovacs, J.A., Meyer, F., Weyhermüller, T., Otero, E., DeBeer, S. (2017). Iron L_2,3-edge X-ray Absorption and X-ray Magnetic Circular Dichroism Studies of Molecular Iron Complexes with Relevance to the FeMoco and FeVco Active Sites of Nitrogenase Inorganic Chemistry 56(14), 8147-8158. https://doi.org/10.1021/acs.inorgchem.7b00852
• Khannam, M., Weyhermüller, T., Goswami, U., Mukherjee, C. (2017). A highly stable L-alanine-based mono(aquated) Mn(II) complex as a T₁-weighted MRI contrast agent Dalton Transactions 46(31), 10426-10432. https://doi.org/10.1039/c7dt02282d
• Shit, M., Bera, S., Maity, S., Weyhermüller, T., Ghosh, P. (2017). Coordination of o-benzosemiquinonate, o-iminobenzosemiquinonate and aldimine anion radicals to oxidovanadium(IV) New Journal of Chemistry 41, 4564-4572. https://doi.org/10.1039/c7nj00186j
• Levin, N. Perdoménico, J., Bill, E., Weyhermüller, T., Slep, L.D. (2017). Pushing the photodelivery of nitric oxide to the visible: are {FeNO}⁷ complexes good candidates? Dalton Transactions 46(46), 16058-16064. https://doi.org/10.1039/c7dt03142d
• Shit, M., Bera, S., Maity, S., Maji, S., Weyhermüller, T., Ghosh, P. (2016). Oxidovanadium Complexes of 2,2'-Bipyridine, 1,10 Phenanthroline, and p-Nitro-o-aminophenol - Radical versus Nonradical States European Journal of Inorganic Chemistry 2016(3), 330-338. https://doi.org/10.1002/ejic.201501246
• Bera, S., Maity, S., Weyhermüller, T., Ghosh, P. (2016). Radical non-radical states of the [Ru(PIQ)] core in complexes (PIQ=9,10-phenanthreneiminoquinone) Dalton Transactions 45(19), 8236-8247. https://doi.org/10.1039/c6dt00091f
• Bera, S., Mondal, S., Maity, S., Weyhermüller, T., Ghosh, P. (2016). Radical and Non-Radical States of the [Os(PIQ)] Core (PIQ = 9,10-Phenanthreneiminoquinone): Iminosemiquinone to Iminoquinone Conversion Promoted o-Metalation Reaction Inorganic Chemistry 55(10), 4746-4756. https://doi.org/10.1021/acs.inorgchem.6b00040
• Wang, M., Weyhermüller, T., Bill, E., Ye, S., Wieghardt, K. (2016). Structural and Spectroscopic Characterization of Rhenium Complexes Containing Neutral, Monoanionic, and Dianionic Ligands of 2,2'-Bipyridines and 2,2':6,2''-Terpyridines: An Experimental and Density Functional Theory (DFT)-Computational Study Inorganic Chemistry 55(10), 5019-5036. https://doi.org/10.1021/acs.inorgchem.6b00609
• Dar, U.A., Shand, S., Lande, D.N., Rao, S.S., Patil, Y.P., Gejji, S.P., Nethaji, M., Weyhermüller, T., Salunke-Gawali, S. (2016). Molecular structures of 2-hydroxy-1,4-naphthoqinone derivatives and their zinc(II) complexes: Combining experiment and density functional theory Polyhedron 113, 61 72. https://doi.org/10.1016/j.poly.2016.04.002
• Bhand, S., Patil, R., Shinde, Y., Lande, D.N., Rao, S.S., Kathawate, L., Gejji, S.P., Weyhermüller, T., Salunke-Gawali, S. (2016). Tautomerism in o-hydroxyanilino-1,4-naphthoquinone derivatives: Structure, NMR, HPLC and density functional theoretic investigations Journal of Molecular Structure 1123, 245-260. https://doi.org/10.1016/j.molstruc.2016.06.026
• Kundu, S., Mondal, A., Weyhermüller, T., Sproules, S., Ghosh, P. (2016). Molecular and electronic structures of copper-cuprizone and analogues Inorganica Chimica Acta 451, 23-30. https://doi.org/10.1016/j.ica.2016.06.040
• Maity, S., Kundu, S., Bera, S., Weyhermüller, T., Ghosh, P. (2016). Mixed-Valence o-Iminobenzoquinone and o-Iminobenzosemiquinonate Anion Radical Complexes of Cobalt: Valence Tautomerism European Journal of Inorganic Chemistry 2016(22), 3680-3690. https://doi.org/10.1002/ejic.201600525
• Maity, S., Kundu, S., Bera, S., Weyhermüller, T., Ghosh, P. (2016). o-Iminobenzoquinone and o-Iminobenzosemiquinonate Anion Radical Complexes of Rhodium and Ruthenium European Journal of Inorganic Chemistry 2016(22), 3691-3697. https://doi.org/10.1002/ejic.201600526
• Levin, N., Codesido, N.O., Bill, E., Weyhermüller, T., Gaspari, A.P.S., da Silva, R.S., Olabe, J.A., Slep, L.D. (2016). Structural, Spectroscopic, and Photochemical Investigation of an Octahedral NO Releasing {RuNO}⁷ Species Inorganic Chemistry 55(16), 7808-7810. https://doi.org/10.1021/acs.inorgchem.6b00719
• Shit, M., Maity, S., Bera, S., Weyhermüller, T., Ghosh, P. (2016). Coordination of o-benzosemiquinonate, o-iminobenzosemiquinonate, 4,4'-di-tert-butyl-2,2'-bipyridine and 1,10-phenanthroline anion radicals to oxidovanadium(IV) New Journal of Chemistry 40(12), 10305-10315. https://doi.org/10.1039/c6nj02220k
• Bera, S., Maity, S., Weyhermüller, T., Ghosh, P. (2016). Arylamino radical complexes of ruthenium and osmium: dual radical counter in a molecule Dalton Transactions 45(48), 19428-19440. https://doi.org/10.1039/c6dt03728c

Full publications list | ORCID | ResearcherID

Selected MPI CEC publications

2024

• Zhang, Y. Y., Levin, N., Kang, L. Q., Müller, F., Zobel, M., DeBeer, S., Leitner, W., Bordet, A. (2024). Design and Understanding of Adaptive Hydrogenation Catalysts Triggered by the H₂/CO₂-Formic Acid Equilibrium. Journal of the American Chemical Society, 146 (44), 30057-30067. doi:10.1021/jacs.4c06765.
• Zenner, J., Tran, K., Kang, L. Q., Kinzel, N. W., Werlé, C., DeBeer, S., Bordet, A., Leitner, W. (2024). Synthesis, Characterization, and Catalytic Application of Colloidal and Supported Manganese Nanoparticles. Chemistry-a European Journal, 30 (25). doi:10.1002/chem.202304228.
• Wessel, N., Medhekar, R. S., Sonnenberg, M., Stieber, H., Leitner, W., Vorholt, A. J. (2024). Catalyst in Sight: The Use of Benchtop NMR Spectrometers to Maintain the Activity of Pd-PPh₃ Catalysts. ACS Catalysis, 14 (14), 10679-10688. doi:10.1021/acscatal.4c02606.
• Vossen, J. T., Patzina, F., Leitner, W., Vorholt, A. J. (2024). Studying the Recycling and Deactivation of Rh/Biphephos Complexes in the Isomerization-Hydroformylation Tandem Reaction. Acs Sustainable Chemistry & Engineering. doi:10.1021/acssuschemeng.4c03970.
• Voelker, S., Groll, N., Bachmann, M. Mueller, L., Neumann, M., Kossioris, T., Muthyala, P., Lehrheuer, B., Hofmeister, M., Vorholt, A., Schmitz, K., Pischinger, S., Leitner, W., Bardow, A. (2024). Towards carbon-neutral and clean propulsion in heavy-duty transportation with hydroformylated Fischer-Tropsch fuels. Nature Energy, 9 (10), 1220-1229. doi:10.1038/s41560-024-01581-z.
• Thanheuser, N., Groteguth, J. T., Leitner, W., Esteban, J., Vorholt, A. J. (2024). Biphasic Production of 5-hydroxymethylfurfural (HMF) in a Recyclable Deep Eutectic Solvent-based System Catalyzed by H₄SiW₁₂O₄₀. Chemsuschem. doi:10.1002/cssc.202401485.
• Stahl, S., Wessel, N., Vorholt, A. J., Leitner, W. (2024). Liquid-phase hydrogenation of carbon monoxide to methanol using a recyclable manganese-based catalytic system. Green Chemistry, 26 (13), 7799-7805. doi:10.1039/d4gc01050g
• Solmi, M. V., Vossen, J. T., Schmitz, M., Vorholt, A. J., Leitner, W. (2024). Catalytic synthesis of carboxylic acids from oxygenated substrates using CO₂ and H₂ as C1 building blocks. Green Chemistry, 26 (12), 7302-7311. doi:10.1039/d4gc01732c.
• Schoofs, L., Weidener, D., Leitner, W., Klose, H., Grande, P. M. (2024). Lignocellulose Treatment Using a Flow-Through Variant of OrganoCat Process. Chemsuschem. doi:10.1002/cssc.202401063.
• Nasse, K. E., Heinen, F. S., Pawlowsky, N., Schrimpf, M., Monflier, E., Tilloy, S., Leitner, W., Vorholt, A. J. (2024). The role of cyclodextrins in the acceleration of the reaction rate in a biphasic hydroformylations. Chemical Engineering Journal, 497, 154114. doi:10.1016/j.cej.2024.154114.
• Mondal, T., Leitner, W., Hölscher, M. (2024). Computational design of cooperatively acting molecular catalyst systems: carbene based tungsten- or molybdenum-catalysts with rhodium- or iridium-complexes for the ionic hydrogenation of N₂ to NH₃. Dalton Transactions, 53 (18), 7890-7898. doi:10.1039/d4dt00563e.
• Leitner, W. (2024). Carbon dioxide and hydrogen as building blocks for a sustainable interface of energy and chemistry. Philosophical Transactions of the Royal Society a-Mathematical Physical and Engineering Sciences, 382 (2282). doi:10.1098/rsta.2023.0266.
• Köhnke, K., Björnsson, R., Leitner, W., Vorholt, A. J., Mechanistic Aspects of Rhodium-Catalyzed Isoprene Hydroformylation: A Computational Study, Organometallics 2024. doi: 10.1021/acs.organomet.3c00414.
• Klos, N., Osterthun, O., Mengers, H. G., Lanzerath, P., von Westarp, W. G., Lim, G., Gausmann, M., Küsters-Spöring, J. D., Wiesenthal, J., Guntermann, N., Lauterbach, L., Jupke, A., Leitner, W., Blank, L. M., Klankermayer, J., Rother, D. (2024). Concatenating Microbial, Enzymatic, and Organometallic Catalysis for Integrated Conversion of Renewable Carbon Sources. Jacs Au. doi:10.1021/jacsau.4c00511.
• Kick, A. C., Weyhermüller, T., Hölscher, M., Kaeffer, N., Leitner, W. (2024). Understanding Ligand Effects on Bielectronic Transitions: Chemo- and Electroreduction of Rhodium Bis(Diphosphine) Complexes to Low Oxidation States. Angewandte Chemie-International Edition, 63 (37). doi:10.1002/anie.202408356.
• Fassbach, T. A., Ji, J. M., Vorholt, A. J., Leitner, W. (2024). Recycling of Homogeneous Catalysts-Basic Principles, Industrial Practice, and Guidelines for Experiments and Evaluation. ACS Catalysis, 14 (9), 7289-7298. doi:10.1021/acscatal.4c01006.
• Ehmann, K. R., Ji, J. M., Dinsing, K., Maier, C. R., Vorholt, A. J., Leitner, W. (2024). Introducing a Second Liquid Phase in the Carbon Dioxide Hydrogenation to Formic Acid: Impact on Catalytic Conversion in Ru-Catalyzed Systems. ACS Sustainable Chemistry & Engineering, 12 (42), 15569-15577. doi:10.1021/acssuschemeng.4c05493.
• Belleflamme, M., Hommes, J., Dervisoglu, R., Bartalucci, E., Wiegand, T., Beine, A. K., Leitner, W., Vorholt, A. J. (2024). Catalytic Upgrading of Acetaldehyde to Acetoin Using a Supported N-Heterocyclic Carbene Catalyst. Chemsuschem, 17 (22). doi:10.1002/cssc.202400647.

2018-2023

• Zhang, Y. Y., El Sayed, S., Kang, L. Q., Sanger, M., Wiegand, T., Jessop, P. G., Debeer, S., Bordet, A., Leitner, W., Adaptive Catalysts for the Selective Hydrogenation of Bicyclic Heteroaromatics using Ruthenium Nanoparticles on a CO_2-Responsive Support, Angewandte Chemie-International Edition 62, (48) 2023. doi: 10.1002/anie.202311427.
• Vossen, J. T., Leitner, W., Vorholt, A. J., Exploring the Hurdles in Thermomorphic Multicomponent Systems in the Rhodium-Catalyzed Multiphase Hydroformylation, ACS Sustainable Chemistry & Engineering 11, (28) 2023, 10462-10470. doi: 10.1021/ACSsuschemeng.3c01885.
• Vossen, J. T., Hülsken, N., Vorholt, A. J., Leitner, W., Recycling of a thermoresponsive "catalyst pill": separation of a molecular catalyst in solid ethylenecarbonate in various reactions, Green Chemistry 25, (7) 2023, 2872-2880. https://doi.org/10.1039/d2gc04822a.
• Sodreau, A., Zahedi, H. G., Dervisoglu, R., Kang, L. Q., Menten, J., Zenner, J., Terefenko, N., Debeer, S., Wiegand, T., Bordet, A., Leitner, W., A Simple and Versatile Approach for the Low-Temperature Synthesis of Transition Metal Phosphide Nanoparticles from Metal Chloride Complexes and P(SiMe3)3, Advanced Materials 35, (49) 2023. doi: 10.1002/adma.202306621.
• Singh, A., Kemper, G., Weyhermüller, T., Kaeffer, N., Leitner, W., Activated Mn-MACHO Complexes Form Stable CO2 Adducts, Chemistry-a European Journal 2023. https://doi.org/10.1002/chem.202303438.
• Nattermann, M., Wenk, S., Pfister, P., He, H., Lee, S. H., Szymanski, W., Guntermann, N., Zhu, F. Y., Nickel, L., Wallner, C., Zarzycki, J., Paczia, N., Gaissert, N., Franciò, G., Leitner, W., Gonzalez, R., Erb, T. J., Engineering a new-to-nature cascade for phosphate-dependent formate to formaldehyde conversion in vitro and in vivo, Nature Communications 14, (1) 2023. https://doi.org/10.1038/s41467-023-38072-w.
• Mengers, H. G., Guntermann, N., von Westarp, W. G., Jupke, A., Klankermayer, J., Blank, L. M., Leitner,  W., Rother, D., Three Sides of the Same Coin: Combining Microbial, Enzymatic, and Organometallic Catalysis for Integrated Conversion of Renewable Carbon Sources, Chemie Ingenieur Technik 95, (4) 2023, 485-490. https://doi.org/10.1002/cite.202200169.
• Marchenko, N., Lacroix, L. M., Ratel-Ramond, N., Leitner, W., Bordet, A., Tricard, S., Bimetallic Fe Fe_xPt_100–x Nanoparticles Immobilized on Supported Ionic Liquid Phases as Hydrogenation and Hydrodeoxygenation Catalysts: Influence of the Metal Content on Activity and Selectivity, ACS Applied Nano Materials 6, (21) 2023, 20231-20239. https://doi.org/10.1021/acsanm.3c03996.
• Sodreau, A., Zahedi, H. G., Dervisoglu, R., Kang, L., Menten, J., Zenner, J., Terefenko, N., DeBeer, S., Wiegand, T., Bordet, A.,  Leitner, W. (2023). A Simple and Versatile Approach for the Low-Temperature Synthesis of Transition Metal Phosphide Nanoparticles from Metal Chloride Complexes and P(SiMe₃)₃. ADVANCED MATERIALS. 2306621 (1-9) doi:10.1002/adma.202306621.
• Levin, N., Goclik, L., Walschus, H., Antil, N., Bordet, A.,  Leitner, W. (2023). Decarboxylation and Tandem Reduction/Decarboxylation Pathways to Substituted Phenols from Aromatic Carboxylic Acids Using Bimetallic Nanoparticles on Supported Ionic Liquid Phases as Multifunctional Catalysts. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 145(41), 22845-22854. doi:10.1021/jacs.3c09290.
• Durin, G., Kaeffer, N.,  Leitner, W. (2023). Electrocatalytic hydrogenation of unsaturated organic compounds with molecular complexes: Mechanistic views. Current Opinion in Electrochemistry, (41): 101371, pp. 1-10. doi:10.1016/j.coelec.2023.101371.
• Zhang, Y., El Sayed, S., Kang, L., Sanger, M., Wiegand, T., Jessop, P. G., DeBeer, S., Bordet, A., Leitner, W. (2023). Adaptive Catalysts for the Selective Hydrogenation of Bicyclic Heteroaromatics using Ruthenium Nanoparticles on a CO₂-Responsive Support. Angewandte Chemie, International Edition in English, (XX): e202311427, pp. x-xx. doi:10.1002/anie.202311427.
• Durin, G., Lee, M., Pogany, M. A., Weyhermüller, T., Kaeffer, N., Leitner, W. (2023). Hydride-Free Hydrogenation: Unraveling the Mechanism of Electrocatalytic Alkyne Semihydrogenation by Nickel-Bipyridine Complexes. JOURNAL OF THE AMERICAN CHEMICAL SOCIETy, 145(31), 17103-17111. doi:10.1021/jacs.3c03340.
• Jenthra, S., Mondal, T., Kemper, G., Lantzius-Beninga, M., Hölscher, M., Leitner, W. (2023). Ligand-Controlled Palladium-Catalyzed Decarboxylative Heck Coupling for Regioselective Access to Branched Olefins. ACS Catalysis, (13), 10085-10093. doi:10.1021/acscatal.3c02224.
• Vossen, J. T., Leitner, W.,  Vorholt, A. J. (2023). Exploring the Hurdles in Thermomorphic Multicomponent Systems in the Rhodium-Catalyzed Multiphase Hydroformylation. ACS Sustainable Chemistry & Engineering, (11), 10462-10470. doi:10.1021/acssuschemeng.3c01885.
• Bordet, A., Leitner, W. (2023). Adaptive Catalytic Systems for Chemical Energy Conversion. Angewandte Chemie, International Edition in English, (62): E202301956, pp. 1-8. doi:10.1002/anie.202301956.
• Vossen, J. T., Hülsken, N., Vorholt, A. J., Leitner, W. (2023). Recycling of a thermoresponsive "catalyst pill": separation of a molecular catalyst in solid ethylene carbonate in various reactions. Green Chemistry, (25), 2872-2880. doi:10.1039/d2gc04822a.
• Kemper, G., Hölscher, M., Leitner, W. (2023). Pd(II)-catalyzed carboxylation of aromatic C?H bonds with CO2. Science Advances, 9(5): eadf2966, pp. 1-10. doi:10.1126/sciadv.adf2966.
• Cramer, H. H., Das, S., Wodrich, M. D., Corminboeuf, C., Werlé, C., Leitner, W. (2023). Theory-guided development of homogeneous catalysts for the reduction of CO2 to formate, formaldehyde, and methanol derivatives. Chemical Science, (14) 2799-2807. doi:10.1039/d2sc06793e. doi:10.1039/d2sc06793e.
• Anandaraj, S. J. L., Kang, L., DeBeer, S., Bordet, A.,  Leitner, W. (2023). Catalytic Hydrogenation of CO2 to Formate Using Ruthenium Nanoparticles Immobilized on Supported Ionic Liquid Phases. Small, (19)2206806, pp. 1-10. doi:10.1002/smll.202206806.
• Han, C., Zenner, J., Johny, J., Kaeffer, N., Bordet, A.,  Leitner, W. (2023). Electrocatalytic hydrogenation of alkenes with Pd/carbon nanotubes at an oil-water interface. Nature Catalysis, 5(12), 1110-1119. doi:10.1038/s41929-022-0088
• Ullmann, L., Guntermann, N., Kohl, P., Schröders, G., Müsgens, A., Francio, G., Leitner, W., Blank, L. M. (2022). Improved Itaconate Production with Ustilago cynodontis via Co-Metabolism of CO2-Derived Formate. JOURNAL OF FUNGI, 8(12): 1277, pp. 1-17. doi:10.3390/jof8121277.
• Mengers, H. G., Guntermann, N., von Westarp, W. G., Jupke, A., Klankermayer, J., Blank, L. M., Leitner, W., Rother, D. (2023). Three Sides of the Same Coin: Combining Microbial, Enzymatic, and Organometallic Catalysis for Integrated Conversion of Renewable Carbon Sources. Chemie-Ingenieur-Technik, 95(4),485-490 doi:10.1002/cite.202200169.
• Antico, E., Leutzsch, M., Wessel, N., Weyhermüller, T., Werlé, C., Leitner, W. (2022). Selective oxidation of silanes into silanols with water using [MnBr(CO)(5)] as a precatalyst. Chemical Science, 14(1), 54-60. doi:10.1039/d2sc05959b.
• Kalsi, D., Anandaraj, S. J. L., Durai, M., Weidenthaler, C., Emondts, M., Nolan, S. P., Bordet, A., Leitner, W. (2022). One-Pot Multicomponent Synthesis of Allyl and Alkylamines Using a Catalytic System Composed of Ruthenium Nanoparticles on Copper N-Heterocyclic Carbene-Modified Silica. ACS Catalysis, 12(24), 14902-14910. doi:10.1021/acscatal.2c04044.
• Kuss, D. A., Hölscher, M., Leitner, W. (2022). Combined Computational and Experimental Investigation on the Mechanism of CO2 Hydrogenation to Methanol with Mn-PNP-Pincer Catalysts. ACS Catalysis, (12), 15310-15322. doi:10.1021/acscatal.2c04806.
• Diehl, T., Lanzerath, P., Francio, G.,  Leitner, W. (2022). A Self-Separating Multiphasic System for Catalytic Hydrogenation of CO2 and CO2-Derivatives to Methanol. ChemSusChem, (15): e202201250, pp. 1-8. doi:10.1002/cssc.202201250.
• October, J., Köhnke, K., Thanheuser, N., Vorholt, A. J., Leitner, W. (2022). Reppe-Carbonylation of Alkenes with Carboxylic Acids: A Catalytic and Mechanistic Study. European Journal of Organic Chemistry, 2022(43): e202201018, pp. 1-7. doi:10.1002/ejoc.202201018.
• Ehmann, K. R., Nisters, A., Vorholt, A. J.,  Leitner, W. (2022). Carbon Dioxide Hydrogenation to Formic Acid with Self-Separating Product and Recyclable Catalyst Phase. ChemCatChem, 14(19): e2022008, pp. 1-7. doi:10.1002/cctc.202200892.
• Guntermann, N., Francio, G.,  Leitner, W. (2022). Hydrogenation of CO2 to formic acid in biphasic systems using aqueous solutions of amino acids as the product phase. Green Chemistry, (xx), 1-7. doi:10.1039/d2gc02598a.
• Rösler, T., Betting, J., Püschel, S., Vorholt, A. J.,  Leitner, W. (2022). Solvent design for catalyst recycling of rhodium/amine catalysts via scCO(2) extraction in the reductive hydroformylation of alpha olefins. Green Chemistry, 24(17), 6578-6588. doi:10.1039/d2gc01252a.
• Strohmann, M. P., Vorholt, A. J.,  Leitner, W. (2022). Branched Tertiary Amines from Aldehydes and alpha-Olefins by Combined Multiphase Tandem Reactions. CHEMISTRY A EUROPEAN JOURNAL, (xx): e202202081, pp. 1-8. doi:10.1002/chem.202202081.
• Lin, S.-H., Hetaba, W., Chaudret, B., Leitner, W.,  Bordet, A. (2022). Copper-Decorated Iron Carbide Nanoparticles Heated by Magnetic Induction as Adaptive Multifunctional Catalysts for the Selective Hydrodeoxygenation of Aldehydes. Advanced Energy Materials,12(42) 2201783, pp. 1-10. doi:10.1002/aenm.202201783.
• Kliemann, M. N., Teeuwen, S., Weike, C., Francio, G.,  Leitner, W. (2022). Rhodium-Catalyzed Asymmetric Hydrohydrazonemethylation of Styrenes: Access to Chiral Hydrazones, Hydrazides, Hydrazines and Amines. Advanced Synthesis & Catalysis, (364), 4006-4012. doi:10.1002/adsc.202200804.
• Kacem, S., Qiao, Y., Wirtz, C., Theyssen, N., Bordet, A., Leitner, W. (2022). Supercritical carbon dioxide as reaction medium for selective hydrogenation of fluorinated arenes. Green Chemistry, (24), 8671-8676. doi:10.1039/d2gc02623f..
• Jürling-Will, P., Botz, T., Francio, G., Leitner, W. (2022). A "Power-to-X" Route to Acetic Acid via Palladium-Catalyzed Isomerization of Methyl Formate. ChemSusChem, e202201006, pp. 1-7. doi:10.1002/cssc.202201006.
• Schrimpf, M., Graefe, P. A., Holl, A., Vorholt, A. J.,  Leitner, W. (2022). Effect of Liquid-Liquid Interfacial Area on Biphasic Catalysis Exemplified by Hydroformylation. ACS Catalysis, (12), 7850-7861. doi:10.1021/acscatal.2c01972.
• Kaeffer, N.  Leitner, W. (2022). Electrocatalysis with Molecular Transition-Metal Complexes for Reductive Organic Synthesis. JACS Au 2022 2 (6), 1266-1289. doi:10.1021/jacsau.2c00031
• Jeske, K., Rösler, T., Belleflamme, M., Rodenas, T., Fischer, N., Claeys, M., Leitner, W., Vorholt, A. J., Prieto, G. (2022). Direct Conversion of Syngas to Higher Alcohols via Tandem Integration of Fischer-Tropsch Synthesis and Reductive Hydroformylation. Angewandte Chemie, International Edition in English, e202201004, pp. 1-9. doi:10.1002/anie.202201004.
• Vossen, J. T., Vorholt, A. J., Leitner, W. (2022). Catalyst Recycling in the Reactive Distillation of Primary Alcohols to Olefins Using a Phosphoric Acid Catalyst. ACS SUSTAINABLE CHEMISTRY & ENGINEERING, 10(18), 5922-5931. doi:10.1021/acssuschemeng.2c00237.
• Lee, M.-Y., Kahl, C., Kaeffer, N., Leitner, W. (2022). Electrocatalytic Semihydrogenation of Alkynes with [Ni(bpy)3]2+. Journal of the American Chemical Society, (2), 573-578. doi:10.1021/jacsau.1c00574.
• Sisodiya-Amrute, S., Van Stappen, C., Rengshausen, S., Han, C., Sodreau, A., Weidenthaler, C., Tricard, S., DeBeer, S., Chaudret, B., Bordet, A.,  Leitner, W. (2022). <p>Bimetallic MxRu100_x nanoparticles (M = Fe, Co) on supported ionic liquid phases (MxRu100-x@SILP) as hydrogenation catalysts: Influence of M and M:Ru ratio on activity and selectivity</p>. Journal of Catalysis,(407), 141-148. doi:10.1016/j.jcat.2022.01.030.
• Leitner, W. (2022). If sustainability is the goal, green chemistry will show the way! - happy birthday to Paul Anastas. Green Chemistry, 24(9), 3374-3375. doi:10.1039/d2gc90035a.
• Köhnke, K., Wessel, N., Esteban, J., Jing, J., Vorholt, A. J., Leitner, W. (2022). Operando monitoring of mechanisms and deactivation of molecular catalysts. Green Chemistry, 24(5), 1951-1972. doi:10.1039/d1gc04383h.
• Hoffmann, M., Hermesmann, M., Leven, M., Leitner, W.,  Müller, T. E. (2022). Semi-Crystalline Polyoxymethylene-co-Polyoxyalkylene Multi-Block Telechels as Building Blocks for Polyurethane Applications. Polymers, 14(5): 882, pp. 1-24. doi:10.3390/polym14050882.
• Goclik, L., Walschus, H., Bordet, A.,  Leitner, W. (2022). Selective hydrodeoxygenation of acetophenone derivatives using a Fe25Ru75@SILP catalyst: a practical approach to the synthesis of alkyl phenols and anilines. Green Chemistry, (24), 2937-2945. doi:10.1039/d1gc04189d.
• Hölscher, M., Kemper, G., Jenthra, S., Bolm, C.,  Leitner, W. (2022). Factors Governing the Catalytic Insertion of CO2 into Arenes - A DFT Case Study for Pd and Pt Phosphane Sulfonamido Complexes. Chemistry – A European Journal, e202104375, pp. 1-9. doi:10.1002/chem.202104375.
• Machat, M. R., Marbach, J., Schumacher, H., Raju, S., Lansing, M., Over, L. C., Adler, L., Langanke, J., Wolf, A., Leitner, W., Gürtler, C. (2022). Turning CO/CO2-containing industrialprocess gas into valuable building blocks for the polyurethane industry. REACTION CHEMISTRYENGINEERING, (7), 580-589. doi:10.1039/d1re00508a.
• Püschel, S., Hammami, E., Rösler, T., Ehmann, K. R., Vorholt, A. J.,  Leitner, W. (2022). Auto-tandem catalytic reductive hydroformylation with continuous multiphase catalyst recycling. Catalysis Science & Technology, (12) 728-736. doi:10.1039/d1cy02000e.
• Guntermann, N., Mengers, H. G., Francio, G., Blank, L. M.,  Leitner, W. (2021). Bio-energy conversion with carbon capture and utilization (BECCU): integrated biomass fermentation and chemo-catalytic CO2 hydrogenation for bioethanol and formic acid co-production. Green Chemistry, 23(24), 9860-9864. doi:10.1039/d1gc02915k.
• Cramer, H. H., Ye, S., Neese, F., Werlé, C., Leitner, W. (2021). Cobalt-Catalyzed Hydrosilylation of Carbon Dioxide to the Formic Acid, Formaldehyde, and Methanol Level-How to Control the Catalytic Network? JACS Au, 1(11), 2058-2069. doi:10.1021/jacsau.1c00350.
• Kinzel, N. W., Demirbas, D., Bill, E., Weyhermüller, T., Werlé, C., Kaeffer, N., Leitner, W. (2021). Systematic Variation of 3d Metal Centers in a Redox-Innocent Ligand Environment: Structures, Electrochemical Properties, and Carbon Dioxide Activation. Inorganic Chemistry, (xx), xx-xx. doi:10.1021/acs.inorgchem.1c02909.
• Kinzel, N. W., Werlé, C., Leitner, W. (2021). Transition Metal Complexes as Catalysts for the Electroconversion of CO2: An Organometallic Perspective. Angewandte Chemie, International Edition in English, (60), 11268-11686. https://doi.org/10.1002/anie.202006988
• Kreissl, H., Jin, J., Lin, S.-H., Schütte, D., Störtte, S., Levin, N., Chaudret, B., Vorholt, A., Bordet, A. Leitner, W. (2021). Commercial Cu2Cr2O5 Decorated with Iron Carbide Nanoparticles as Multifunctional Catalyst for Magnetically Induced Continuous Flow Hydrogenation of Aromatic Ketones. Angewandte Chemie, International Edition in English, (xx), xx-xx. doi:10.1002/anie.202107916.
• Kaithal, A., Chatterjee, B., Werlé, C.,  Leitner, W. (2021). Acceptorless dehydrogenation of methanol to carbon monoxide and hydrogen using molecular catalysts. Angewandte Chemie, International Edition in English, (xx), xx-xx. doi:10.1002/anie.202110910.
• Zenner, J., Moos, G., Luska, K. L., Bordet, A.,  Leitner, W. (2021). Rh NPs Immobilized on Phosphonium- based Supported Ionic Liquid Phases (Rh@SILPs) as Hydrogenation Catalysts. Chimia, 75(9), 724-732. doi:10.2533/chimia.2021.724.
• Weidener, D., Klose, H., Graf von Westarp, W., Jupke, A., Leitner, W., De Maria, P. D., Grande,P.M.  (2021). Selective lignin fractionation using CO2-expanded 2-methyltetrahydrofuran (2-MTHF). Green Chemistry, (23), 6330-6336. doi:10.1039/D1GC01651B.
• Rösler, T., Ehmann, K. R., Köhnke, K., Leutzsch, M., Wessel, N., Vorholt, A. J., Leitner, W.  (2021). Reductive hydroformylation with a selective and highly active rhodium amine system. Journal of Catalysis, 400, 234-243. doi:10.1016/j.jcat.2021.06.001.
• Bardow, A., Bizzarri, C., Cao, X. E., Cowan, A. J., Cummings, C., Del Angel Hernandez, V., Doan, H.,  Dowson, G., Ghosh, S., Gil, V., Gugujonovic, K., Kamali, A. R., König, M., Leitner, W ., Luo, J., et.al.(2021). Emerging technologies: general discussion. Faraday Discussions, 230(0), 388-412. doi:10.1039/d1fd90048j.
• Antico, E., Schlichter, P., Werle, C., Leitner, W. (2021) Reduction of Carboxylic Acids to Alcohols via Manganese(I) Catalyzed Hydrosilylation. JACS AU, 1(6), 742-749. doi:10.1021/jacsau.1c00140.
• Bordet, A., El Sayed, S., Sanger, M., Boniface, K. J., Kalsi, D., Luska, K. L., Jessop, P.; Leitner,W. (2021). Selectivity control in hydrogenation through adaptive catalysis using ruthenium nanoparticles on a CO2-responsive support. Nature chemistry. doi:10.1038/s41557-021-00735-w.
• Leitner, W., & Schmitz, M. (2021). Concluding remarks: Carbon dioxide utilization: where are we now? and where are we going? Faraday discussions.(XX) XX-XX doi:10.1039/d1fd00038a.
• Püschel, S., Störtte, S., Topphoff, J., Vorholt, A. J., Leitner, W. (2021). Green process design for reductive hydroformylation of renewable olefin cuts for drop-in diesel fuels. ChemSusChem, (14), 5226-5234 . doi:10.1002/cssc.202100929.
• Bordet, A., Leitner, W. (2021). Metal Nanoparticles Immobilized on Molecularly Modified Surfaces: Versatile Catalytic Systems for Controlled Hydrogenation and Hydrogenolysis. Accounts of Chemical Research, (xxx), xxx-xxx. doi:10.1021/acs.accounts.1c00013.
• Kaithal, A., Hölscher, M., Leitner, W. (2021). Carbon monoxide and hydrogen (syngas) as a C1-building block for selective catalytic methylation Chemical Science. 12, 976-982 https://doi.org/10.1039/D0SC05404F
• Kuß, D. A., Hölscher, M.,  Leitner, W. (2021). Hydrogenation of CO2 to Methanol with Mn-PNP-Pincer Complexes in the Presence of Lewis Acids: the Formate Resting State Unleashed. CHEMCATCHEM . (13) 1-6  doi:10.1002/cctc.202100649.
• Rengshausen, S., Van Stappen, C., Levin, N., Tricard, S., Luska, K.L., DeBeer, S., Chaudret, B., Bordet, A., Leitner, W. (2021). Organometallic Synthesis of Bimetallic Cobalt‐Rhodium Nanoparticles in Supported Ionic Liquid Phases (Co_xRh_100−x@SILP) as Catalysts for the Selective Hydrogenation of Multifunctional Aromatic Substrates Small, 17,2006683 (10pp) https://doi.org/10.1002/smll.202006683
• Weidener, D, Leitner, W., Domínguez de María, P., Klose, H., Grande, P.M. (2021). Lignocellulose fractionation using recyclable phosphoric acid: Lignin, cellulose and furfural production. ChemSusChem. 14, 909-916, https://doi.org/10.1002/cssc.202002383
• Kaithal, A., Kalsi, D., Krishnakumar, V., Pattanaik, S., Bordet, A., Leitner, W., Gunanathan, C. (2020). Ruthenium-Catalyzed Selective Hydroboronolysis of Ethers ACS Catalysis 10(24), 14390-14397. https://doi.org/10.1021/acscatal.0c04269
• Voit, G., Jenthra, S., Hölscher, M., Weyhermüller, T., Leitner, W. (2020). Reversible Insertion of Carbon Dioxide at Phosphine Sulfonamido Pd^II–Aryl Complexes Organometallics 39(24), 4465-4473. https://doi.org/10.1021/acs.organomet.0c00560
• Bordet, A., Moos, G., Welsh, C., Licence, P., Luska K.L., Leitner, W. (2020). Molecular Control of the Catalytic Properties of Rhodium Nanoparticles in Supported Ionic Liquid Phase (SILP) Systems ACS Catalysis 10(23), 13904-13912. https://doi.org/10.1021/acscatal.0c03559
• Strohmann, M., Vossen, J.T., Vorholt, A.J., Leitner, W. (2020). Recycling of two molecular catalysts in the hydroformylation/aldol condensation tandem reaction using one multiphase system Green Chemistry 22(23), 8444-8451. https://doi.org/10.1039/D0GC03392H
• Kacem, S., Emondts, M., Bordet, A., Leitner, W. (2020). Selective hydrogenation of fluorinated arenes using rhodium nanoparticles on molecularly modified silica Catalysis Science & Technology 10(23), 8120-8126. https://doi.org/10.1039/D0CY01716G
• Pandey, P., Daw, P., Din Reshi, N.U., Ehmann, K.R., Hölscher, M., Leitner, W., Bera, J.K. (2020).  A Proton-Responsive Annulated Mesoionic Carbene (MIC) Scaffold on Ir Complex for Proton/Hydride Shuttle: An Experimental and Computational Investigation on Reductive Amination of Aldehyde Organometallics 39(21), 3849-3863. https://doi.org/10.1021/acs.organomet.0c00568
• Weidener, D., Dama, M., Dietrich, S.K., Ohrem, B., Pauly, M., Leitner, W., Domínguez de Maria, P., Grande, P.M., Klose, H. (2020). Multiscale analysis of lignocellulose recalcitrance towards OrganoCat pretreatment and fractionation Biotechnology for Biofuels 13, 155. https://doi.org/10.1186/s13068-020-01796-8
• Hussong, C., Langanke, J., Leitner, W. (2020). A green route to polyurethanes: oxidative carbonylation of industrially relevant aromatic diamines by CO₂-based methyl formate Green Chemistry 22(23), 8260-8270. https://doi.org/10.1039/D0GC02412K
• Hussong, C., Langanke, J., Leitner, W. (2020). Carbon2Polymer: A CO₂‐based Route to Polyurethanes via Oxidative Carbonylation of TDA with Methyl Formate Chemie Ingenieur Technik 92(10), 1482-1488. https://doi.org/10.1002/cite.202000031
• Goclik, L., Offner-Marko, L., Bordet, A., Leitner, W. (2020). Selective Hydrodeoxygenation of Hydroxyacetophenones to Ethyl-Substituted Phenol Derivatives Using a FeRu@SILP Catalyst Chemical Communications 56(66), 9509-9512. https://doi.org/10.1039/D0CC03695A
• Weidener, D., Holtz, A., Klose, H., Jupke, A., Leitner, W., Grande, P.M. (2020). Lignin Precipitation and Fractionation from OrganoCat Pulping to Obtain Lignin with Different Sizes and Chemical Composition Molecules 25(15), 3330. https://doi.org/10.3390/molecules25153330
• Chatterjee, B., Kalsi, D., Kaithal, A., Bordet, A., Leitner, W., Gunanathan, C. (2020). One-pot dual catalysis for the hydrogenation of heteroarenes and arenes Catalysis Science & Technology. https://doi.org/10.1039/D0CY00928H
• Beck-Sickinger, A.G., Carell, T., Dehnen, S., Leitner, W., Schreiner, P.R., Wennemers, H. (2020). From Scientists to Scientists—Moving Angewandte into the Future Angewandte Chemie International Edition 59(31), 12548-12549. https://doi.org/10.1002/anie.202008469
• Cramer, H.H., Chatterjee, B., Weyhermüller, T., Werlé, C., Leitner, W. (2020). Controlling the Product Platform of Carbon Dioxide Reduction: Adaptive Catalytic Hydrosilylation of CO₂ Using a Molecular Cobalt(II) Triazine Complex Angewandte Chemie International Edition 59(36), 15674-15681. https://doi.org/10.1002/anie.202004463
• Erken, C., Hindemith, C., Weyhermüller, T., Hölscher, M., Werlé, C., Leitner, W. (2020). Hydroamination of Aromatic Alkynes to Imines Catalyzed by Pd(II)–Anthraphos Complexes ACS Omega 5(15), 8912-8918. https://doi.org/10.1021/acsomega.0c00562
• Moos, G., Emondts, M., Bordet, A., Leitner, W. (2020). Selective Hydrogenation and Hydrodeoxygenation of Aromatic Ketones to Cyclohexane Derivatives Using a Rh@SILP Catalyst Angewandte Chemie International Edition 59(29), 11977-11983. https://doi.org/10.1002/anie.201916385
• Esteban, J., Vorholt, A.J., Leitner, W. (2020). An overview of the biphasic dehydration of sugars to 5-hydroxymethylfurfural and furfural: a rational selection of solvents using COSMO-RS and selection guides Green Chemistry. https://doi.org/10.1039/C9GC04208C
• Estes, D.P., Leutzsch, M., Schubert, L., Bordet, A., Leitner, W. (2020). The Effect of Ligand Electronics on the Reversible Catalytic Hydrogenation of CO₂ to Formic Acid using Ruthenium Polyhydride Complexes: A Thermodynamic and Kinetic Study ACS Catalysis 10(5), 2990-2998. https://doi.org/10.1021/acscatal.0c00404
• Zimmerman, J.B., Anastas, P.T., Erythropel, H.C., Leitner, W. (2020). Designing for a green chemistry future Science 367(6476), 397-400. https://doi.org/10.1126/science.aay3060
• El Sayed, S., Bordet, A., Weidenthaler, C., Hetaba, W., Luska, K., Leitner, W. (2020) Selective Hydrogenation of Benzofurans using Lewis Acid Modified Ruthenium-SILP Catalysts ACS Catalysis 10(3), 2124-2130. https://doi.org/10.1021/acscatal.9b05124
• Holtz, A., Weidener, D., Leitner, W., Klose, H., Grande, P.M., Jupke, A. (2020). Process development for separation of lignin from OrganoCat lignocellulose fractionation using antisolvent precipitation Separation and Purification Technology 236, 116295. https://doi.org/10.1016/j.seppur.2019.116295
• Kaithal, A., van Bonn, P., Hölscher, M., Leitner, W. (2020). Manganese(I)‐Catalyzed β‐Methylation of Alcohols using Methanol as C₁ Source Angewandte Chemie International Edition 59(1), 215-220. https://doi.org/10.1002/anie.201909035
• Kaithal, A., Schmitz, M., Hölscher, M., Leitner, W. (2020). On the mechanism of the Ruthenium‐catalyzed β‐methylation of alcohols with methanol ChemCatChem 12(3), 781-787. https://doi.org/10.1002/cctc.201901871 
• Scott, M., Westhues, C.G., Kaiser, T., Baums, J.C., Jupke, A., Franciò, G., Leitner, W. (2019). Methylformate from CO₂: an integrated process combining catalytic hydrogenation and reactive distillation Green Chemistry 21(23), 6307-6317. https://doi.org/10.1039/c9gc03006a 
• Strohmann, M., Bordet, A., Vorholt, A.J., Leitner, W. (2019). Tailor-Made Biofuel 2-Butyltetrahydrofuran from the Continuous Flow Hydrogenation and Deoxygenation of Furfuralacetone Green Chemistry 21(23), 6299-6306. https://doi.org/10.1039/c9gc02555c 
• Kaithal, A., Gracia, L.-L., Camp, C., Quadrelli, E.A., Leitner, W. (2019). Direct Synthesis of Cycloalkanes from Diols and Secondary Alcohols or Ketones Using a Homogeneous Manganese Catalyst Journal of the American Chemical Society 141(44), 17487-17492. https://doi.org/10.1021/jacs.9b08832
• Martínez-Ferraté, O., Chatterjee, B., Werlé, C., Leitner, W. (2019). Hydrosilylation of carbonyl and carboxyl groups catalysed by Mn(I) complexes bearing triazole ligands Catalysis Science & Technology 9(22), 6370-6379. https://doi.org/10.1039/c9cy01738k
• Grande, P.M., Weidener, D., Dietrich, S., Dama, M., Bellof, M., Maas, R., Pauly, M., Leitner, W., Klose, H., Domínguez de María, P. (2019). OrganoCat Fractionation of Empty Fruit Bunches from Palm Trees into Lignin, Sugars, and Cellulose-Enriched Pulp ACS Omega 4(11), 14451-14457. https://doi.org/10.1021/acsomega.9b01371
• Rohner, S.S., Kinzel, N., Werlé, C., Leitner, W. (2019). Systematic ligand variation to modulate the electrochemical properties of iron and manganese complexes Dalton Transactions 48, 13205-13211. https://doi.org/10.1039/c9dt01343a
• Liu, H., Zhu, L., Wallraf, A.M., Räuber, C., Grande, P.M., Anders, N., Gertler, C., Werner, B., Klankermayer, J., Leitner, W., Schwaneberg, U. (2019). Depolymerization of laccase-oxidized lignin in aqueous alkaline solution at 37°C ACS Sustainable Chemistry & Engineering 7(13), 11150-11156. https://doi.org/10.1021/acssuschemeng.9b00204
• Kaithal, A., Schmitz, M., Hölscher, M., Leitner, W. (2019). Ruthenium(II)-Catalyzed ß-Methylation of Alcohols using Methanol as C₁ Source 11(21), 5287-5291. ChemCatChem. https://doi.org/10.1002/cctc.201900788
• Schrimpf, M., Esteban, J., Rösler, T., Vorholt, A.J., Leitner, W. (2019). Intensified Reactors for Gas-Liquid-Liquid Multiphase Catalysis: from Chemistry to Engineering Chemical Engineering Journal 372, 917-939. https://doi.org/10.1016/j.cej.2019.03.133
• Rengshausen, S., Etscheidt, F., Großkurth, J., Luska, K.L., Bordet, A., Leitner, W. (2019). Catalytic Hydrogenolysis of Substituted Diaryl Ethers by Using Ruthenium Nanoparticles on an Acidic Supported Ionic Liquid Phase (Ru@SILP-SO₃H) Synlett 30(04), 405-412. https://doi.org/10.1055/s-0037-1611678  
• Jens, C.M., Scott, M., Liebergesell, B., Westhaus, C.G., Schäfer, P., Franciò, G., Leonhard, K., Leitner, W., Bardow, A. (2019). Rh-Catalyzed Hydrogenation of CO₂ to Formic Acid in DMSO-based Reaction Media: Solved and Unsolved Challenges for Process Development Advanced Synthesis and Catalysis 361(2), 307-316. https://doi.org/10.1002/adsc.201801098
• Faßbach, T.A., Vorholt, A.J., Leitner, W. (2019). The Telomerization of 1,3 Dienes – A Reaction Grows Up ChemCatChem 11(4), 1153-1166. https://doi.org/10.1002/cctc.201801821
• Rösler, T., Faβbach, T.A., Schrimpf, M., Vorholt, A.J., Leitner, W. (2019). Towards water-based recycling techniques: Methodologies for homogeneous catalyst recycling in liquid/liquid multiphase media and their implementation in continuous processes Industrial & Engineering Chemistry Research 58(7), 2421-2436. https://doi.org/10.1021/acs.iecr.8b04295
• Solmi, M.V., Schmitz, M., Leitner, W. (2019). CO₂ as a Building Block for the Catalytic Synthesis of Carboxylic Acids Studies in Surface Science and Catalysis: Horizons in Sustainable Industrial Chemistry and Catalysis 178, Chapter 6, 105-124. https://doi.org/10.1016/B978-0-444-64127-4.00006-9
• Cantat, T., Leitner, W. (2019). Section 6: Homogeneous catalysis for the sustainable production of fuels and chemicals Research needs: Towards sustainable production of fuels and chemicals, EnergyX Report 60-68. https://www.energy-x.eu/wp-content/uploads/2019/09/Energy_X_Research-needs-report.pdf
• Erken, C., Kaithal, A., Sen, S., Weyhermüller, T., Hölscher, M., Werlé, C., Leitner, W. (2018). Manganese-catalyzed hydroboration of carbon dioxide and other challenging carbonyl groups Nature Communications 9, 4521. https://doi.org/10.1038/s41467-018-06831-9
• Regenstein, L., Klement, T., Grande, P., Kryenschulte, D., Heyman, B., Maßmann, T., Eggert, A., Sengspiel, R., Wang, Y., Wierckx, N., Blanck, L.M., Spiess, A., Leitner, W., Bolm, C., Wessling, M., Jupke, A., Rosenbaum, M., Büchs, J. (2018). From beech wood to itaconic acid: case study on biorefinery process integration Biotechnology for Biofuels 11, 279-289. https://doi.org/10.1186/s13068-018-1273-y
• Schmitz, M., Erken, C., Ohligschläger, A., Schnoor, J.-K., Westhues, N.F., Klankermayer, J., Leitner, W., Liauw, M.A. (2018). Homogeneously Catalyzed Synthesis of (Higher) Alcohols (C1–C4) from the Combination of CO₂/CO/H₂ Chemie Ingenieur Technik 90(10), 1476-1488. https://doi.org/10.1002/cite.201800053
• Martínez-Ferraté, O., Werlé, C., Franciò, G., Leitner, W. (2018). Aminotriazole Mn(I) Complexes as Effective Catalysts for Transfer Hydrogenation of Ketones ChemCatChem 23, 4514-4518. https://doi.org/10.1002/cctc.201800953
• Offner-Marko, L., Bordet, A., Moos, G., Tricard, S., Rengshausen, S., Chaudret, B., Luska, K.L., Leitner, W. (2018). Bimetallic Nanoparticles in Supported Ionic Liquid Phases as Multifunctional Catalysts for the Selective Hydrodeoxygenation of Aromatic Substrates Angewandte Chemie International Edition 57(39), 12721-12726. https://doi.org/10.1002/anie.201806638
• Kaithal, A., Hölscher, M., Leitner, W. (2018). Catalytic Hydrogenation of Cyclic Carbonates using Manganese Complexes Angewandte Chemie International Edition 57(41), 13449-13453. https://doi.org/10.1002/anie.201808676
• Leitner, W., Franciò, G., Scott, M., Westhues, C., Langanke, J., Lansing, M., Hussong, C., Erdkamp, E. (2018). Carbon2Polymer – Chemical Utilization of CO₂ in the Production of Isocyanates Chemie Ingenieur Technik 90(10), 1504-1512. https://doi.org/10.1002/cite.201800040
• Dutta, I., Yadav, S., Sarbajna, A., De, S., Hölscher, M., Leitner, W., Bera, J.K. (2018). Double Dehydrogenation of Primary Amines to Nitriles by a Ruthenium Complex Featuring Pyrazole Functionality Journal of the American Chemical Society 140(28), 8662-8666. https://doi.org/10.1021/jacs.8b05009
• Pienkoß, F., Ochoa-Hernández, Theyssen, N., Leitner, W. (2018). Kaolin: A Natural Low-Cost Material as Catalyst for Isomerization of Glucose to Fructose ACS Sustainable Chemistry & Engineering 6(7), 8782-8789. https://doi.org/10.1021/acssuschemeng.8b01151
• Weidener, D., Klose, H., Leitner, W., Schurr, U., Usadel, B., Domínguez de Maria, P., Grande, P.M. (2018). One-step lignocellulose fractionation using 2,5-furandicarboxylic acid as biogenic and recyclable catalyst ChemSusChem 11(13), 2051-2056. https://doi.org/10.1002/cssc.201800653
• Deutz, S., Bongartz, D., Heuser, B., Katelhon, A., Langenhorst, L. S., Omari, A., Walters, M., Diaeresis, S., Leitner, W., Mitsos, A., Pischinger, S., Bardow, A. (2018). Cleaner production of cleaner fuels: wind-to-wheel - environmental assessment of CO₂-based oxymethylene ether as a drop-in fuel Energy Environmental Science 11, 331-343. https://doi.org/10.1039/C7EE01657C
• Artz, J., Müller, T.E., Thenert, K., Kleinekorte, J., Meys, R., Sternberg, A., Bardow, A., Leitner, W. (2018). Sustainable conversion of carbon dioxide: an integrated review of catalysis and life cycle assessment Chemical Reviews 118 (2), 434-504. https://doi.org/10.1021/acs.chemrev.7b00435
• Geier, D.I., Schmitz, P., Walkowiak, J., Leitner, W., Franciò, G. (2018). Continuous Flow Asymmetric Hydrogenation with Supported Ionic Liquid Phase Catalysts Using Modified CO₂ as the Mobile Phase: from Model Substrate to an Active Pharmaceutical Ingredient ACS Catalysis 8, 3297-3303. https://doi.org/10.1021/acscatal.8b00216
• Schmitz, M., Solmi, M.V., Leitner, W. (2018). Catalytic Processes Combining CO₂ and Alkenes into Value-Added Chemicals: Synthesis of Cyclic Carbonates, Lactones, Carboxylic Acids, Esters, Aldehydes, Alcohols, and Amines Organometallics for Green Catalysis, Topics in Organometallic Chemistry 63, 17-38. https://doi.org/10.1007/3418_2018_24

Full publications list | ORCID

Selected MPI CEC publications

• Sodreau, A., Zahedi, H. G., Dervişoğlu, R., Kang, L., Menten, J., Zenner, J., Terefenko, N., DeBeer, S., Wiegand, T., Bordet, A., Leitner, W. A Simple and Versatile Approach for the Low-Temperature Synthesis of Transition Metal Phosphide Nanoparticles from Metal Chloride Complexes and P(SiMe₃)₃. Adv. Mater. 2023, 2306621. https://doi.org/10.1002/adma.202306621
• Levin, N., Goclik, L., Walshus, H., Antil, N., Bordet, A., Leitner, W. Decarboxylation and Tandem Reduction/Decarboxylation Pathways to Substituted Phenols from Aromatic Carboxylic Acids using Bimetallic Nanoparticles on Supported Ionic Liquid Phases as Multifunctional Catalysts. J. Am. Chem. Soc. 2023, 145, 22845-22854. https://doi.org/10.1021/jacs.3c09290
• Zhang, Y., El Sayed, S., Kang, L., Sanger, M., Wiegand, T., Jessop, P. G., DeBeer, S., Bordet, A., Leitner, W. Adaptive Catalysts for the Selective Hydrogenation of Bicyclic Heteroaromatics using Ruthenium Nanoparticles on a CO₂-Responsive Support. Angew. Chem. Int. Ed. 2023,e202311427. https://doi.org/10.1002/anie.202311427
• Bordet, A., Leitner, W. Adaptive Catalytic Systems for Chemical Energy Conversion. Angew. Chem. Int. Ed. 2023, e202301956. https://doi.org/10.1002/anie.202301956
• Han, C., Zenner, J., Johny, J., Kaeffer, N., Bordet, A., Leitner, W. Electrocatalytic Hydrogenation of Alkenes with Pd/Carbon Nanotubes at an Oil-Water Interface. Nat. Catal. 2022, 5, 1110-1119. https://doi.org/10.1038/s41929-022-00882-4
• Kalsi, D., Louis Anandaraj, J. L., Durai, M., Weidenthaler, C., Emondts, M., Nolan, S. P., Bordet, A., Leitner, W. One-Pot Multicomponent Synthesis of Allyl and Alkylamines Using a Catalytic System Composed of Ruthenium Nanoparticles on Copper N-Heterocyclic Carbene-Modified Silica. ACS Catal. 2022, 12, 14902-14910. https://doi.org/10.1021/acscatal.2c04044
• Lin, S.-H., Hetaba, W., Chaudret, B., Leitner, W., Bordet, A. Copper-Decorated Iron Carbide Nanoparticles Heated by Magnetic Induction as Adaptive Multifunctional Catalysts for the Selective Hydrodeoxygenation of Aldehydes. Adv. Energy Mater. 2022, 2201783.https://doi.org/10.1002/aenm.202201783
• Kreissl, H., Jin, J., Lin, S.-H., Schüette, D., Störtte, S., Levin, N., Chaudret, B., Vorholt, A. J., Bordet, A., Leitner, W. Commercial Cu₂Cr₂O₅ Decorated with Iron Carbide Nanoparticles as Multifunctional Catalyst for Magnetically Induced Continuous Flow Hydrogenation of Aromatic Ketones. Angew. Chem. Int. Ed. 2021, 60, 26639-26646. https://doi.org/10.1002/anie.202107916
• Bordet, A., Leitner, W. Metal Nanoparticles Immobilized on Molecularly Modified Surfaces: Versatile Catalytic Systems for Controlled Hydrogenation and Hydrogenolysis. Acc. Chem. Res. 2021, 54, 2144-2157 https://doi.org/10.1021/acs.accounts.1c00013

Full publications list | ORCID | ResearcherID

Selected MPI CEC publications

• Durin, G., Lee, M., Pogany, M. A., Weyhermüller, T., Kaeffer, N., Leitner, W. (2023). Hydride-Free Hydrogenation: Unraveling the Mechanism of Electrocatalytic Alkyne Semihydrogenation by Nickel-Bipyridine Complexes. Journal of the American Chemical Society, 145(31), 17103-17111. doi:10.1021/jacs.3c03340.
• Han, C. H., Zenner, J., Johny, J., Kaeffer, N., Bordet, A., Leitner, W. (2022) Electrocatalytic hydrogenation of alkenes with Pd/carbon nanotubes at an oil-water interface Nature Catalysis 5 (12), 1110-1119. https://doi.org/10.1038/s41929-022-00882-4 
• Kaeffer, N. Leitner, W. (2022). Electrocatalysis with Molecular Transition-Metal Complexes for Reductive Organic Synthesis. JACS Au 2 (6), 1266-1289. doi:10.1021/jacsau.2c00031
• Lee, M.-Y., Kahl, C., Kaeffer, N., Leitner, W. (2022). Electrocatalytic Semihydrogenation of Alkynes with [Ni(bpy)3]2+. JACS Au 2 (3), 573-578. doi:10.1021/jacsau.1c00574
• Kinzel, N. W., Demirbas, D., Bill, E., Weyhermüller, T., Werlé, C., Kaeffer, N., Leitner, W. (2021). Systematic Variation of 3d Metal Centers in a Redox-Innocent Ligand Environment: Structures, Electrochemical Properties, and Carbon Dioxide Activation. Inorganic Chemistry 60 (24), 19062-19078. doi:10.1021/acs.inorgchem.1c02909

Full publications list | ORCID | list of patents

Selected MPI CEC publications

• Vossen, J. T., Leitner, W.,  Vorholt, A. J. (2023). Exploring the Hurdles in Thermomorphic Multicomponent Systems in the Rhodium-Catalyzed Multiphase Hydroformylation. ACS Sustainable Chemistry & Engineering, (11), 10462-10470. doi:10.1021/acssuschemeng.3c01885.
• Vossen, J. T., Hülsken, N., Vorholt, A. J., Leitner, W. (2023). Recycling of a thermoresponsive "catalyst pill": separation of a molecular catalyst in solid ethylene carbonate in various reactions. Green Chemistry, (25), 2872-2880. doi:10.1039/d2gc04822a.
• October, J., Köhnke, K., Thanheuser, N., Vorholt, A. J., Leitner, W. (2022). Reppe-Carbonylation of Alkenes with Carboxylic Acids: A Catalytic and Mechanistic Study. European Journal of Organic Chemistry, 2022(43): e202201018, pp. 1-7. doi:10.1002/ejoc.202201018.
• Ehmann, K. R., Nisters, A., Vorholt, A. J.,  Leitner, W. (2022). Carbon Dioxide Hydrogenation to Formic Acid with Self-Separating Product and Recyclable Catalyst Phase. ChemCatChem, 14(19): e2022008, pp. 1-7. doi:10.1002/cctc.202200892.
• Rösler, T., Betting, J., Püschel, S., Vorholt, A. J.,  Leitner, W. (2022). Solvent design for catalyst recycling of rhodium/amine catalysts via scCO(2) extraction in the reductive hydroformylation of alpha olefins. Green Chemistry, 24(17), 6578-6588. doi:10.1039/d2gc01252a.
• Strohmann, M. P., Vorholt, A. J.,  Leitner, W. (2022). Branched Tertiary Amines from Aldehydes and alpha-Olefins by Combined Multiphase Tandem Reactions. CHEMISTRY A EUROPEAN JOURNAL, (xx): e202202081, pp. 1-8. doi:10.1002/chem.202202081.
• Rösler, T., Betting, J., Püschel, S., Vorholt, A. J., Leitner, W. (2022). Solvent Design for the Catalyst Recycling of Rhodium/Amine Catalysts via scCO2 Extraction in the Reductive Hydroformylation of Alpha Olefins. Green Chem., accepted, DOI: 10.1039/D2GC01252A
• Strohmann, M., Vorholt, A. J., Leitner, W. (2022) Branched Tertiary Amines from α-Olefins by Combined Multiphase Tandem Reactions. Chem. Eur. J., accepted
• Püschel, S., Sadowski J., Rösler, T., Ehmann, K. R., Vorholt, A. J., Leitner, W. (2022). Auto-tandem catalytic reductive hydroformylation in a CO2-switchable solvent system. ACS Sus. Chem.& Eng. 10, (11), 3749–3756, DOI: 10.1021/acssuschemeng.2c00419
• Schrimpf, M., Graefe, P. A., Holl, A., Vorholt, A. J.,  Leitner, W. (2022). Effect of Liquid-Liquid Interfacial Area on Biphasic Catalysis Exemplified by Hydroformylation. ACS Catalysis, (12), 7850-7861. doi:10.1021/acscatal.2c01972. Highlighted as cover picture DOI: link
• Jeske, K., Rösler, T., Belleflamme, M., Rodenas, T., Fischer, N., Claeys, M., Leitner, W., Vorholt, A. J., Prieto, G. (2022). Direct Conversion of Syngas to Higher Alcohols via Tandem Integration of Fischer-Tropsch Synthesis and Reductive Hydroformylation. Angewandte Chemie, International Edition in English, e202201004, pp. 1-9. doi:10.1002/anie.202201004. Highlighted as cover picture DOI: 10.1002/anie.202201004
• Vossen, J. T., Vorholt, A. J., Leitner, W. (2022). Catalyst Recycling in the Reactive Distillation of Primary Alcohols to Olefins Using a Phosphoric Acid Catalyst. ACS SUSTAINABLE CHEMISTRY & ENGINEERING, 10(18), 5922-5931. doi:10.1021/acssuschemeng.2c00237.
• Hombach, L., Simitsis, N., Vossen, J. T., Vorholt, A. J.,  Beine, K. (2022). Solidified and Immobilized Heteropolyacids for the Valorization of Lignocellulose. ChemCatChem, e202101838, pp. 1-19. doi:10.1002/cctc.202101838.
• Köhnke, K., Wessel, N., Esteban, J., Jing, J., Vorholt, A. J.,  Leitner, W. (2022). Operando monitoring of mechanisms and deactivation of molecular catalysts. Green Chemistry, 24(5), 1951-1972. doi:10.1039/d1gc04383h.
• Püschel, S., Hammami, E., Rösler, T., Ehmann, K. R., Vorholt, A. J.,  Leitner, W. (2022). Auto-tandem catalytic reductive hydroformylation with continuous multiphase catalyst recycling. Catalysis Science & Technology (7) 728-736. doi:10.1039/d1cy02000e.
• Kreissl, H., Jin, J., Lin, S.-H., Schütte, D., Störtte, S., Levin, N., Chaudret, B., Vorholt, A., Bordet, A. Leitner, W. (2021). Commercial Cu2Cr2O5 Decorated with Iron Carbide Nanoparticles as Multifunctional Catalyst for Magnetically Induced Continuous Flow Hydrogenation of Aromatic Ketones. Angewandte Chemie, International Edition in English, (xx), xx-xx. doi:10.1002/anie.202107916.
• Rösler, T., Ehmann, K. R., Köhnke, K., Leutzsch, M., Wessel, N., Vorholt, A. J., Leitner, W.  (2021). Reductive hydroformylation with a selective and highly active rhodium amine system. Journal of Catalysis, 400, 234-243. doi:10.1016/j.jcat.2021.06.001.
• Püschel, S., Störtte, S., Topphoff, J., Vorholt, A. J., Leitner, W. (2021). Green process design for reductive hydroformylation of renewable olefin cuts for drop-in diesel fuels. ChemSusChem, (14), 5226-5234 . doi:10.1002/cssc.202100929.
• Schrimpf, M., Esteban, J., Warmeling, H., Färber, T.,Behr, A., Vorholt, A. J. (2021) Taylor-Couette reactor: Principles, design, and applications. Aiche Journal, Early Access, e17228 (24pp) https://doi 10.1002/aic.17228
• Strohmann, M., Vossen, J.T., Vorholt, A.J., Leitner, W. (2020). Recycling of two molecular catalysts in the hydroformylation/aldol condensation tandem reaction using one multiphase system Green Chemistry 22(23), 8444-8451. https://doi.org/10.1039/D0GC03392H
• Terhorst, M., Plass, C., Hinzmann, A., Guntermann, A., Jolmes, T., Rösler, J., Panke, D., Gröger, H., Vogt, D., Vorholt, A.J., Seidensticker, T. (2020). One-pot synthesis of aldoximes from alkenes via Rh-catalysed hydroformylation in an aqueous solvent system Green Chemistry 22(22), 7975-7982. https://doi.org/10.1039/D0GC03141K
• Terhorst, M., Heider, C., Vorholt, A.J., Vogt, D., Seidensticker, T. (2020). Productivity leap in the homogeneous ruthenium-catalyzed alcohol amination through catalyst recycling avoiding volatile organic solvents ACS Sustainable Chemistry & Engineering 8(27), 9962-9967. https://doi.org/10.1021/acssuschemeng.0c03413
• Esteban, J., Vorholt, A.J., Leitner, W. (2020). An overview of the biphasic dehydration of sugars to 5-hydroxymethylfurfural and furfural: a rational selection of solvents using COSMO-RS and selection guides Green Chemistry 22(7), 2097-2128. https://doi.org/10.1039/C9GC04208C
• Terhorst, M., Kampwerth, A., Marschand, A., Vogt, D., Vorholt, A.J., Seidensticker, T. (2020). Facile catalyst recycling by thermomorphic behaviour avoiding organic solvents: a reactive ionic liquid in the homogeneous Pd-catalysed telomerisation of the renewable β-myrcene Catalysis Science & Technology 10(6), 1827-1834. https://doi.org/10.1039/C9CY02569C
• Vogelsang, D., Vondran J., Hares, K., Schäfer, K., Seidensticker, T., Vorholt, A.J. (2020). Palladium catalysed acid‐free Carboxytelomerisation of 1,3‐Butadiene with Alcohols accessing Pelargonic Acid Derivatives including Triglycerides under selectivity control Advanced Synthesis & Catalysis 362(3), 679-687. https://doi.org/10.1002/adsc.201901383
• Strohmann, M., Bordet, A., Vorholt, A.J., Leitner, W. (2019). Tailor-Made Biofuel 2 Butyltetrahydrofuran from the Continuous Flow Hydrogenation and Deoxygenation of Furfuralacetone Green Chemistry 21(23), 6299-6306. https://doi.org/10.1039/c9gc02555c
• Bianga, J., Künnemann, K.U. Gaide, T., Vorholt, A.J., Seidensticker, T., Dreimann, M., Vogt, D. (2019). Thermomorphic Multiphase Systems ‐ Switchable Solvent Mixtures for the Recovery of Homogeneous Catalysts in Batch and Flow Processes Chemistry - A European Journal 25(50), 11586-11608. https://doi.org/10.1002/chem.201902154
• Esteban, J., Warmeling, H., Vorholt, A.J. (2019). Utilization of deep eutectic solvents based on choline chloride in the biphasic hydroformylation of 1-decene with rhodium complexes Catalysis Communications 129, 105721. https://doi.org/10.1016/j.catcom.2019.105721
• Plass, C., Hinzmann, A., Terhorst, M., Brauer, W., Oike, K., Yavuzer, H., Asano, Y., Vorholt, A.J., Betke, T., Gröger, H. (2019). Approaching Bulk Chemical Nitriles from Alkenes: A Hydrogen Cyanide-Free Approach through Combination of Hydroformylation and Biocatalysis ACS Catalysis 9, 5198-5203. https://doi.org/10.1021/acscatal.8b05062
• Dreimann, J.M., Kohls, E., Warmeling, H.F.W., Stein, M., Guo, L.F., Garland, M., Dinh, T.N., Vorholt, A.J. (2019). In-situ infrared spectroscopy as a tool for monitoring molecular catalyst for hydroformylation in continuous processes ACS Catalysis 9, 4308–4319. https://doi.org/10.1021/acscatal.8b05066 
• Schrimpf, M., Esteban, J., Rösler, T., Vorholt, A.J., Leitner, W. (2019). Intensified Reactors for Gas Liquid-Liquid Multiphase Catalysis: from Chemistry to Engineering Chemical Engineering Journal 372, 917-939. https://doi.org/10.1016/j.cej.2019.03.133
• Esteban, J., Warmeling, H., Vorholt, A.J. (2019). An Approach to Chemical Reaction Engineering and Process Intensification for the Lean Aqueous Hydroformylation Using a Jet Loop Reactor Chemie Ingenieur Technik 91(5), 560-566. https://doi.org/10.1002/cite.201800137
• Kuhlmann, R., Künnemann, K.U., Hinderink, L., Behr, A., Vorholt, A.J. (2019) CO₂ based synthesis of various formamides in miniplant scale: a two-step process design ACS Sustainable Chemistry & Engineering 7(5), 4924-4931. https://doi.org/10.1021/acssuschemeng.8b05477
• Faßbach, T.A., Vorholt, A.J., Leitner, W. (2019). The Telomerization of 1,3 Dienes – A Reaction Grows Up ChemCatChem 11(4), 1153-1166. https://doi.org/10.1002/cctc.201801821
• Rösler, T., Faβbach, T.A., Schrimpf, M., Vorholt, A.J., Leitner, W. (2019). Towards water-based recycling techniques: Methodologies for homogeneous catalyst recycling in liquid/liquid multiphase media and their implementation in continuous processes Industrial & Engineering Chemistry Research 58(7), 2421-2436. https://doi.org/10.1021/acs.iecr.8b04295
• Fuchs, S., Lichtem D., Jolmes, T., Rösler, T., Meier, G., Strutz, H., Behr, A., Vorholt, A.J. (2018). Synthesis of industrial primary diamines via intermediate diols - combining hydroformylation, hydrogenation and amination ChemCatChem 10(18), 4126-4133. https://doi.org/10.1002/cctc.201800950
• Vogelsang, D., Vondran, J., Vorholt, A.J. (2018). One-step palladium catalysed synthetic route to unsaturated pelargonic C₉-amides directly from 1,3-butadiene Journal of Catalysis 365,24-28. https://doi.org/10.1016/j.jcat.2018.06.004
• Vogelsang, D., Dittmar, M., Seidensticker, T., Vorholt, A.J. (2018). Palladium-catalysed carboxytelomerisation of β-myrcene to highly branched C₂₁-esters Catalysis Science & Technology 8, 4332-4337. https://doi.org/10.1039/C8CY00769A
• Hernandez, R., Dreimann, J.M., Vorholt, A.J., Behr, A., Engell, S. (2018). An Iterative Real-time Optimization Scheme for the Optimal Operation of Chemical Processes under Uncertainty. Proof of Concept in a Miniplant Industrial & Engineering Chemistry Research 57(26), 8750-8770. https://doi.org/10.1021/acs.iecr.8b00615
• Faßbach, T.A., Püschel, S., Behr A., Romanski, S., Leinweber, D., Vorholt, A.J. (2018). Towards a process for the telomerization of butadiene with N-methylglucamine Chemical Engineering Science 181, 122-131. https://doi.org/10.1016/j.ces.2018.02.012
• Vogelsang, D., Faβbach, T.A., Kossmann, P.P., Vorholt, A.J. (2018). Terpene-Derive Highly Branched C₃₀-Amines via Palladium-Catalysed Telomerisation of β-Farnesene Advanced Synthesis & Catalysis 360(10), 1987-1991. https://doi.org/10.1002/adsc.201800089
• Faβbach, T.A., Sommer, F.O., Vorholt, A.J. (2018). Hydroaminomethylation in Aqueous Solvent Systems - An Efficient Pathway To Highly Functionalized Amines Advanced Synthesis & Catalysis 360 (7), 1473-1482. https://doi.org/10.1002/adsc.201701463
• Dreimann, J., Behr, A., Vorholt, A.J. (2018). Reaktoren für Fluid-Fluid-Reaktionen: Strahldüsenreaktoren Handbuch Chemische Reaktoren 1-28. https://doi.org/10.1007/978-3-662-56444-8_29-1

Full publications list

Selected MPI CEC publications

• Mato, M., Bruzzese, P. C., Takahashi, F., Leutzsch, M., Reijerse, E. J., Schnegg, A.,  Cornella, J. (2023). Oxidative Addition of Aryl Electrophiles into a Red-Light-Active Bismuthinidene. Journal of the American Chemical Society, 145(34), 18742-18747. doi:10.1021/jacs.3c06651.
• Tran, V. A., Teucher, M., Galazzo, L., Sharma, B., Pongratz, T., Kast, S. M. M., Marx, D., Bordignon, E., Schnegg, A., Neese, F. (2023). Dissecting the Molecular Origin of g-Tensor Heterogeneity and Strain in Nitroxide Radicals in Water: Electron Paramagnetic Resonance Experiment versus Theory. The Journal of Physical Chemistry A, 127(31), 6447-6466. doi:10.1021/acs.jpca.3c02879.
• Tretiakov, S., Lutz, M., Titus, C. J., de Groot, F., Nehrkorn, J., Lohmiller, T., Holldack, K., Schnegg, A., Tarrago, M. F. X., Zhang, P., Ye, S., Aleshin, D., Pavlov, A., Novikov, V.,  Moret, M.-E. (2023). Homoleptic Fe(III) and Fe(IV) Complexes of a Dianionic C-3-Symmetric Scorpionate. Inorganic Chemistry, (62), 101613-10625. doi:10.1021/acs.inorgchem.3c00871.
• Rams, M., Lohmiller, T., Böhme, M., Jochim, A., Foltyn, M., Schnegg, A., Plass, W.,  Näther, C. (2023). Weakening the Interchain Interactions in One Dimensional Cobalt(II) Coordination Polymers by Preventing Intermolecular Hydrogen Bonding. INORGANIC CHEMISTRY, 62(26), 10420-10430. doi:10.1021/acs.inorgchem.3c01324. 
• Lau, K., Niemann, F., Abdiaziz, K., Heidelmann, M., Yang, Y., Tong, Y., Fechtelkord, M., Schmidt, T. C., Schnegg, A., Campen, R. K., Peng, B., Muhler, M., Reichenberger, S.,  Barciowski, S. (2023). Differentiating between Acidic and Basic Surface Hydroxyls on Metal Oxides by Fluoride Substitution: A Case Study on Blue TiO2 from Laser Defect Engineering. Angewandte Chemie, International Edition in English, (62): e20221396, pp. 1-12. doi:10.1002/anie.202213968.
• Yang, X., Reijerse, E. J., Nöthling, N., SantaLucia, D., Leutzsch, M., Schnegg, A., Cornellà, J. (2023). Synthesis, Isolation, and Characterization of Two Cationic Organobismuth(II) Pincer Complexes Relevant in Radical Redox Chemistry. Journal of the American Chemical Society, (145), 5618_5623. doi:10.1021/jacs.2c12564.
• Yang, X., Reijerse, E.J., Nöthling, N., SantaLucia, D.J., Leutzsch, M., Schnegg, A., Cornella, J., (2023). Synthesis, Isolation, and Characterization of Two Cationic Organobismuth(II) Pincer Complexes Relevant in Radical Redox Chemistry. (2023) Journal of the American Chemical Society. https://doi.org/10.1021/jacs.2c12564.
• Lau, K., Niemann, F., Abdiaziz, K., Heidelmann, M., Yang, Y., Tong, Y., Fechtelkord, M., Schmidt, T. C., Schnegg, A., Campen, R. K., Peng, B., Muhler, M., Reichenberger, S., Barcikowski, S. (2023). Differentiating between Acidic and Basic Surface Hydroxyls on Metal Oxides by Fluoride Substitution: A Case Study on Blue TiO2 from Laser Defect Engineering. Angewandte Chemie International Edition, e202213968. https://doi.org/10.1002/anie.202213968.
• Larsen, E. M. H., Bonde, N. A., Weihe, H., Ollivier, J., Vosch, T., Lohmiller, T., Holldack, K., Schnegg, A., Perfetti, M.,  Bendix, J. (2023). Experimental assignment of long-range magnetic communication through Pd & Pt metallophilic contacts. Chemical Science, 14 (2), 266-276. doi:10.1039/d2sc05201f.
• Pohle, M.H., Böhme, M., Lohmiller, T., Ziegenbalg, S., Blechschmidt, L.; Görls, H., Schnegg, A., Plass, W. (2023). Magnetic Anisotropy and Relaxation of Pseudotetrahedral [N2O2] Bis-Chelate Cobalt(II) Single-Ion Magnets Controlled by Dihedral Twist Through Solvomorphism. Chemistry a European Journal,(29)1-7 e202202966. https://doi.org/10.1002/chem.202202966
• Sharma, M. K., Chabbra, S., Wölper, C., Weinert, H. M., Reijerse, E. J., Schnegg, A., Schulz, S. (2022). Modulating the frontier orbitals of L(X)Ga-substituted diphosphenes [L(X)GaP](2) (X = Cl, Br) and their facile oxidation to radical cations. Chemical Science, 13(43), 12643-12650. doi:10.1039/d2sc04207j.  
• Yang, X., Reijerse, E. J., Bhattacharyya, K., Leutzsch, M., Kochius, M., Nöthling, N., Busch, J., Schnegg, A., Auer, A. A., Cornella, J. (2022). Radical Activation of N-H and O-H Bonds at Bismuth(II). Journal of the American Chemical Society, (144), 16535-16544. doi:10.1021/jacs.2c05882.
• Lohmiller, T., Spyra, C.-J., Dechert, S., Demeshko, S., Bill, E., Schnegg, A., Meyer, F. (2022). Antisymmetric Spin Exchange in a mu-1,2-Peroxodicopper(II) Complex with an Orthogonal Cu-O-O-Cu Arrangement and S = 1 Spin Ground State Characterized by THz-EPR. JACS Au, 2(5), 1134-1143. doi:10.1021/jacsau.2c00139.
• Teucher, M., Sidabras, J. W., Schnegg, A. (2022). Milliwatt three- and four-pulse double electron electron resonance for protein structure determination. Physical Chemistry Chemical Physics, (24), 12528-12540. doi:10.1039/d1cp05508a.
• Chatterjee, S., Harden, I., Bistoni, G., Castillo, R. G., Chabbra, S., van Gastel, M., Schnegg, A., Bill, E., Birrell, J. A., Morandi, B., Neese, F., DeBeer, S. (2022). A Combined Spectroscopic and Computational Study on the Mechanism of Iron-Catalyzed Aminofunctionalization of Olefins Using Hydroxylamine Derived N-O Reagent as the "Amino" Source and "Oxidant". Journal of the American Chemical Society, 144(6), 2637-2656. doi:10.1021/jacs.1c11083.
• Bonke, S.A., Risse, T., Schnegg A., Brückner A., (2021)  In situ electron paramagnetic resonance spectroscopy for catalysis; Nature Review Methods Primers 2021 1 (1), 33. https://doi.org/10.1038/s43586-021-00031-4
• Liu, C., Geer, A. M., Webber, C., Musgrave, C., Gu, S., Johnson, G., Dickie, D. A., Chabbra, S., Schnegg, A., Zhou, H., Sun, C.-J., Hwang, S., Goddard III, W. A., Zhang, S., Gunnoe, T. B. (2021). Immobilization of "Capping Arene" Cobalt(II) Complexes on Ordered Mesoporous Carbon for Electrocatalytic Water Oxidation. ACS Catalysis, (11), 15068-1508 DOI: 10.1021/acscatal.1c04617
• Shin, D., Bhandari, S., Tesch, M. F., Bonke, S. A., Jaouen, F., Chabbra, S., Pratsch, C., Schnegg, A., Mechler, A. K. (2022). Reduced formation of peroxide and radical species stabilises iron-based hybrid catalysts in polymer electrolyte membrane fuel cells. Journal of Energy Chemistry, 65, 433-438. doi:10.1016/j.jechem.2021.05.047 .
• Büker, J., Alkan, B., Chabbra, S., Kochetov, N., Falk, T., Schnegg, A., Schulz,C., Wiggers, H., Muhler, M., Peng, B. (2021). Liquid-Phase Cyclohexene Oxidation with O-2 over Spray-Flame-Synthesized La1-xSrxCoO3 Perovskite Nanoparticles. SI, 27(68), 16912-16923. doi:10.1002/chem.202103381.
• Nehrkorn, J. P., Valuev, I. A., Kiskin, M. A., Bogomyakov, A. S., Suturina, E. A., Sheveleva, A. M., Ovcharenko, V., Holldack, K.,Herrmann, C., Fedin, M. V., Schnegg, A., Veber, S.L. (2021) Easy-plane to easy-axis anisotropy switching in a Co(ii) single-ion magnet triggered by the diamagnetic lattice. Journal of Materials Chemistry C, 9(30), 9446, 1-7. doi:10.1039/d1tc01105g.
• Ott, J. C., Suturina, E. A., Kuprov, I., Nehrkorn, J., Schnegg, A., Enders, M., Lutz, H.G. (2021). Observability of paramagnetic NMR signals at over 10 000 ppm chemical shifts. Angewandte Chemie, International Edition, (60), 22856-22864. doi:10.1002/anie.202107944.
• Zhao, G., Bonke, S. A., Schmidt, S., Wang, Z., Hu, B., Falk, T., Hu, Y., Rath, T ., Xia, W ., Peng, B., Schnegg, A., Weng, Y., Muhler, M.(2021). Highly Efficient and Selective Aerobic Oxidation of Cinnamyl Alcohol under Visible Light over Pt-Loaded NaNbO3 Enriched with Oxygen Vacancies by Ni Doping. ACS Sustainable Chemistry & Engineering, 9(15), 5422-5429. doi:10.1021/acssuschemeng.1c00460.
• Shin, D., Bhandari, S., Tesch, M. F., Bonke, S. A., Jaouen, F., Chabbra, S., Pratsch, C., Schnegg, A., Mechler, A.K. (2022). Reduced formation of peroxide and radical species stabilises iron-based hybrid catalysts in polymer electrolyte membrane fuel cells. Journal of Energy Chemistry, 65, 433-438. doi.org/10.1016/j.jechem.2021.05.047 .
• Bone, A. N., Widener, C. N., Moseley, D. H., Liu, Z., Lu, Z., Cheng, Y., Daemen, L. L, Ozerov, M.,Telser, J., Thirunavukkuarasu, K., Smirnov, D., Greer, S. M.,  Hill, Stephen., Krzystek, J., Holldack, K., Aliabadi, A., Schnegg, A., Dunbar, K. R., Xue, Zi-Ling (2021). Applying Unconventional Spectroscopies to the Single-Molecule Magnets, Co(PPh3)(2)X-2 (X=Cl, Br, I): Unveiling Magnetic Transitions and Spin-Phonon Coupling. Chemistry – A European Journal, 27, 11110. doi:10.1002/chem.202100705.
• Tarrago, M., Römelt, C., Nehrkorn, J., Schnegg, A., Neese, F., Bill, E.,  Ye, S. (2021). Experimental and Theoretical Evidence for an Unusual Almost Triply Degenerate Electronic Ground State of Ferrous Tetraphenylporphyrin. Inorganic chemistry, 60(7),  4966-4985. doi:10.1021/acs.inorgchem.1c00031.
• Nehrkorn, J. P., Greer, S. M., Malbrecht, B. J., Anderton, K. J., Azat Aliabadi, K., Schnegg, A.,  Holldack, K., Herrmann, C., Betley, T., Stoll, S., Hill, S. (2021). Spectroscopic Investigation of a Metal–Metal-Bonded Fe6 Single-Molecule Magnet with an Isolated S = 19/2 Giant-Spin Ground State. Inorganic Chemistry, 60(7), 4610-4622.  doi:10.1021/acs.inorgchem.0c03595.
• Pavlov, A.A., Nehrkorn, J., Zubkevich, S.V., Fedin, M.V., Holldack, K., Schnegg, A., Novikov, V.V. (2020). A Synergy and Struggle of EPR, Magnetometry and NMR: A Case Study of Magnetic Interaction Parameters in a Six-Coordinate Cobalt(II) Complex Inorganic Chemistry 59(15), 10746-10755. https://doi.org/10.1021/acs.inorgchem.0c01191.
• Viciano-Chumillas, M., Blondin, G., Clémanceym N., Krzystek, J., Ozerov, M., Armentano, D., Schnegg, A., Lohmiller, T., Telser, J., Lloret, F., Cano, J. (2020). Single‐Ion Magnetic Behaviour in an Iron(III) Porphyrin Complex: A Dichotomy Between High‐Spin and 5/2−3/2 Spin Admixture Chemistry – A European Journal 26(62), 14242-14251. https://doi.org/10.1002/chem.202003052.
• Jochim, A., Lohmiller, T., Rams, M., Böhme, M., Ceglarska, M., Schnegg, A., Plass, W., Näther, C. (2020). Influence of the Coligand onto the Magnetic Anisotropy and the Magnetic Behavior of One-Dimensional Coordination Polymers Inorganic Chemistry 59(13), 8971-8982. https://doi.org/10.1021/acs.inorgchem.0c00815.
• Lin, Y.-H., Kutin, Y., van Gastel, M., Bill, E., Schnegg, A., Ye, S., Lee, W.-Z. (2020). A Manganese(IV)-Hydroperoxo Intermediate Generated by Protonation of the Corresponding Manganese(III)-Superoxo Complex Journal of the American Chemical Society 11(24), 15068-15082.  https://doi.org/10.1021/jacs.0c02756.
• Böhme, M., Jochim, A., Rams, M., Lohmiller, T., Suckert, S., Schnegg, A., Plass, W., Näther, C. (2020). Variation of the Chain Geometry in Isomeric 1D Co(NCS)₂ Coordination Polymers and Their Influence on the Magnetic Properties Inorganic Chemistry 59(8), 5325-5338. https://doi.org/10.1021/acs.inorgchem.9b03357.
• Ma, Y., Pang, Y., Chabbra, S., Reijerse, E.J., Schnegg, A., Niski, J., Leutzsch, M., Cornella, J. (2020). Radical C‒N Borylation of Aromatic Amines Enabled by a Pyrylium Reagent Chemistry – A European Journal 26(17), 3734-3743. https://doi.org/10.1002/chem.202000412.
• Krzystek, J., Schnegg, A., Aliabadi, A., Holldack, K., Stoian, S.A., Ozarowski, A., Hicks, S.D., Abu Omar, M.M., Thomas, K.E., Ghosh, A., Caulfield, K.P., Tonzetich, Z.J., Telser, J. (2020). Advanced Paramagnetic Resonance Studies on Manganese and Iron Corroles with a Formal d⁴ Electron Count Inorganic Chemistry 59(2), 1075-1090. https://doi.org/10.1021/acs.inorgchem.9b02635.
• Li, J., Chen, J., Sang, R., Ham, W.-S., Plutschack, M.B., Berger, F., Chabbra, S., Schnegg, A., Genicot, C., Ritter, T. (2020). Photoredox catalysis with aryl sulfonium salts enables site-selective late-stage fluorination Nature Chemistry 12, 56-62. https://doi.org/10.1038/s41557-019-0353-3.
• Rams, M., Jochim, A., Böhme, M., Lohmiller, T., Ceglarska, M., Rams, M.M., Schnegg, A., Plass, W., Näther, C. (2020). Single‐Chain Magnet Based on Cobalt(II) Thiocyanate as XXZ Spin Chain Chemistry – A European Journal 26(13), 2837-2851. https://doi.org/10.1002/chem.201903924.
• Kutin, Y., Cox, N., Lubitz, W., Schnegg, A., Rüdiger, O. (2019). In Situ EPR Characterization of a Cobalt Oxide Water Oxidation Catalyst at Neutral pH Catalysts 9(11), 926. https://doi.org/10.3390/catal9110926.
• Nehrkorn, J., Bonke, S.A., Aliabadi, A., Schwalbe, M., Schnegg, A. (2019). Examination of the Magneto-Structural Effects of Hangman Groups on Ferric Porphyrins by EPR Inorganic Chemistry 58(20), 14228-14237. https://doi.org/10.1021/acs.inorgchem.9b02348.
• Sidabras, J., Duan, J., Winkler, M., Happe, T., Hussein, R., Zouni, A., Suter, D., Schnegg, A., Lubitz, W., Reijerse, E.J. (2019) Extending electron paramagnetic resonance to nanoliter volume protein single crystals using a self-resonant microhelix Science Advances 5(10), eaay1394. https://doi.org/10.1126/sciadv.aay1394.
• Cheng, J., Liu, J., Leng, X., Lohmiller, T., Schnegg, A., Bill, E., Ye, S., Deng, L. (2019). A Two-Coordinate Iron(II) Imido Complex with NHC Ligation: Synthesis, Characterization, and Its Diversified Reactivity of Nitrene Transfer and C–H Bond Activation Inorganic Chemistry 58, 7634-6744. https://doi.org/10.1021/acs.inorgchem.9b01147.
• Zhao, G., Busser, G.W., Froese, C., Hu, B., Bohnke, S.A., Schnegg, A., Ai, Y., Wei, D., Wang, X., Peng, B., Muhler, M. (2019). Anaerobic Alcohol Conversion to Carbonyl Compounds Over Nanoscaled Rh-doped SrTiO₃ under Visible Light The Journal of Physical Chemistry Letters 10, 2075–2080. https://doi.org/10.1021/acs.jpclett.9b00621.
• Nehrkorn, J., Veber, S.L., Zhukas, L.A., Novikov, V.N., Nelyubina, Y.V., Voloshin, Y.Z, Holldach, K., Stoll, S., Schnegg, A. (2018). Determination of Large Zero-Field Splitting in High-Spin Co(I) Clathrochelates Inorganic Chemistry 57(24), 15330-15340. https://doi.org/10.1021/acs.inorgchem.8b02670.

ORCID | ResearcherID | Google Scholar Profile

Selected MPI CEC publications

• S. Jena, L. Frenzen, V. Chugh, J. Wu, T. Weyhermüller, A. A. Auer, C. Werlé, J. Am. Chem. Soc. 2023, 145, 27922-27932 – [DOI: 10.1021/jacs.3c10491]. 
• W. C. Chang, H. Randel, T. Weyhermüller, A. A. Auer, C. Farès, C. Werlé, Angew. Chem., Int. Ed. 2023, 62, e202219127 – [DOI: 10.1002/anie.202219127]. 
• V. Chugh, B. Chatterjee, W. C. Chang, H. H. Cramer, C. Hindemith, H. Randel, T. Weyhermüller, C. Farès, C. Werlé, Angew. Chem., Int. Ed. 2022, 61, e202205515. – [DOI: 10.1002/anie.202205515]. 
• P. Schlichter, C. Werlé, Synthesis 2022, 54, 517-534 – [DOI: 10.1055/a-1657-2634].
• B. Chatterjee, S. Jena, V. Chugh, T. Weyhermüller, C. Werlé, ACS Catal. 2021, 11, 7176-7185 – [DOI: 10.1021/acscatal.1c00733]. 
• B. Chatterjee, W. C. Chang, C. Werlé, ChemCatChem 2021, 13, 1659-1682 –[DOI: 10.1002/cctc.202001431].
• B. Chatterjee, W. C. Chang, S. Jena, C. Werlé, ACS Catal. 2020, 10, 14024-14055.– [DOI: 10.1021/acscatal.0c03794].

Full publications list | ORCID | Google Scholar Profile

Selected MPI CEC publications

• Hau, J.-L., Kaltwasser, S., Muras, V., Casutt, M. S., Vohl, G., Claussen, B., Steffen, W., Leitner, A., Bill, E., Cutsail, G. E., DeBeer, S., Vonck, J., Steuber, J., Fritz, G. (2023). Conformational coupling of redox-driven Na+-translocation in <i>Vibrio cholerae</i> NADH:quinone oxidoreductase. Nature Structural & Molecular Biology, (xx), 1-31. doi:10.1038/s41594-023-01099-0.
• Sharma, M. K., Weinert, H. M., Li, B., Wölper, C., Henthorn, J. T., Cutsail III, G. E., Haberhauer, G., Schulz, S. (2023). Syntheses and Structures of 5-Membered Heterocycles Featuring 1,2-Diphospha-1,3-Butadiene and Its Radical Anion. Angewandte Chemie, International Edition in English, (62): e202309466, pp. 1-6. doi:10.1002/anie.202309466.
• Liu, Y., Chatterjee, S., Cutsail III, G. E., Peredkov, S., Gupta, S. K., Dechert, S., DeBeer, S., Meyer, F. (2023). Cu4S Cluster in "0-Hole" and "1-Hole" States: Geometric and Electronic Structure Variations for the Active Cu-Z* Site of N2O Reductase. Journal of the American Chemical Society, 145(33), 18477-18486. doi:10.1021/jacs.3c04893.
• Cutsail III, G., Schott-Verdugo, S., Müller, L., DeBeer, S., Groth, G.,  Gohlke, H. (2022). Spectroscopic and QM/MM studies of the Cu(I) binding site of the plant ethylene receptor ETR1. BIOPHYSICAL JOURNAL, 121(20), 3862-3873. doi:10.1016/j.bpj.2022.09.007.
• Cutsail III, G. E., Banerjee, R., Rice, D. B., Stepanic, O. M., Lipscomb, J. D.,  DeBeer, S. (2022). Determination of the iron(IV) local spin states of the Q intermediate of soluble methane monooxygenase by K beta X-ray emission spectroscopy. Journal of Biological Inorganic Chemistry, (27), 573-582. doi:10.1007/s00775-022-01953-4.
• Haak, J., Krüger, J., Abrosimov, N. V., Helling, C., Schulz, S.,  Cutsail III, G. E. (2022). X-Band Parallel-Mode and Multifrequency Electron Paramagnetic Resonance Spectroscopy of S=1/2 Bismuth Centers. Inorganic Chemistry, 61(29), 11173-11181. doi:10.1021/acs.inorgchem.2c01141.
• Helling, C., Haak, J., Wölper, C., Cutsail III, G. E.,  Schulz, S. (2022). Sequential Reduction of Borylstibane to an ElectronicallyNonsymmetric Diboryldistibene Radical Anion br. Inorganic Chemistry, 61(12), 5124-5132. doi:10.1021/acs.inorgchem.2c00251.
• Cutsail III, G. E.,  DeBeer, S. (2022). Challenges and Opportunities for Applications of Advanced X-ray Spectroscopy in Catalysis Research. ACS Catalysis, 12(10), 5864-5886. doi:10.1021/acscatal.2c01016.
• Li, B., Geoghegan, B. L., Weinert, H. M., Wolper, C., Cutsail III, G. E.,  Schulz, S. (2022). Synthesis and redox activity of carbene-coordinated group 13 metal radicals. Chemical Communications, 58(27), 4372-4375. doi:10.1039/d2cc00216g.
• Henthorn, J. T., Cutsail III, G. E., Weyhermüller, T., DeBeer, S. (2022). Stabilization of intermediate spin states in mixed-valent diiron dichalcogenide complexes. Nature Chemistry, (14), 328-333. doi:10.1038/s41557-021-00853-5.
• Geoghegan, B. L., Liu, Y., Peredkov, S., Dechert, S., Meyer, F., DeBeer, S., Cutsail III, G. E. (2022). Combining Valence-to-Core X-ray Emission and Cu K-edge X-ray Absorption Spectroscopies to Experimentally Assess Oxidation State in Organometallic Cu(I)/(II)/(III) Complexes. Journal of the American Chemical Society, 144(6), 2520-2534. doi:10.1021/jacs.1c09505.
• Levin, N., Casadevall, C., Cutsail III, G. E., Lloret-Fillol, J., DeBeer, S.,  Rüdiger, O. (2022) XAS and EPR in Situ Observation of Ru(V) Oxo Intermediate in a Ru Water Oxidation Complex**. ChemElectroChem, e202101271, pp. 1-4. doi:10.1002/celc.202101271.
• Cutsail III, G. E., Ross, M. O., Rosenzweig, A. C., DeBeer, S. (2021). Towards a unified understanding of the copper sites in particulate methane monooxygenase: an X-ray absorption spectroscopic investigation dagger. Chemical Science, (12), 6194-6209. doi:10.1039/d1sc00676b.
• Li, B., Geoghegan, B. L., Wölper, C., Cutsail III, G. E.,  Schulz, S. (2021). Redox Activity of Noninnocent 2,2 '-Bipyridine in Zinc Complexes: An Experimental and Theoretical Study. ACS Omega, 6(28), 18325-18332. doi:10.1021/acsomega.1c02201.
• Schulte, Y., Geoghegan, B. L., Helling, C., Wölper, C., Haberhauer, G., Cutsail III, G. E., Schulz, S. (2021). Observation of Discrete Valence Tautomers in Crystalline Cyclopentadienyl Radicals. Journal of the American Chemical Society, 143(32), 12658-12664. doi:10.1021/jacs.1c05210.
• Weinert, H. M., Wölper, C., Haak, J., Cutsail, G. E., Schulz, S. (2021). Synthesis, structure and bonding nature of heavy dipnictene radical anions. Chemical Science, (12),14024-14032 doi:10.1039/d1sc04230k.
• Rosenbach, H., Walla, E., Cutsail III, G. E., Birrell, J. A., Pascual-Ortiz, M., DeBeer, S., Fleig, U., Span, I. (2021). The Asp1 pyrophosphatase from S. pombe hosts a [2Fe-2S]2+ cluster in vivo. Journal of Biological Inorganic Chemistry. https://doi:10.1007/s00775-020-01840-w.
• Duan, P.-C., Schulz, R.A., Römer, A., Van Kuiken, B.E., Dechert, S., Demeshko, S., Cutsail III, G.E., DeBeer, S., Mata, R.A., Meyer, F. (2021). Ligand Protonation Triggers H₂ Release from a Dinickel Dihydride Complex to Give a Doubly “T”‐Shaped Dinickel(I) Metallodiradical Angewandte Chemie International Edition 60,1891–1896 https://doi.org/10.1002/anie.202011494
• Cutsail III, G.E. (2020). Applications of electron paramagnetic resonance spectroscopy to heavy main-group radicals Dalton Transactions 49(35), 12128-12135. https://doi.org/10.1039/D0DT02436H
• Helling, C., Wölper, C., Cutsail III, G.E., Haberhauer, G., Schulz, S. (2020). A mechanistic study on reactions of group 13 diyls LM with Cp*SbX₂ ‐ From stibanyl radicals to antimony hydrides Chemistry – A European Journal 26(59), 13390-13399. https://doi.org/10.1002/chem.202001739
• Van Stappen, C., Decamps, L., Cutsail III, G.E., Bjornsson, R., Henthorn, J.T., Birrell, J.A., DeBeer, S. (2020). The Spectroscopy of Nitrogenases Chemical Reviews 120(12), 5005-5081. https://doi.org/10.1021/acs.chemrev.9b00650
• Helling, C., Cutsail III, G.E., Weinert, H., Wölper, C., Schulz, S. (2020). Ligand Effects on the Electronic Structure of Heteroleptic Antimony‐centered Radicals Angewandte Chemie International Edition 59(19), 7561-7568. https://doi.org/10.1002/anie.202000586
• Cutsail III, G.E., Blaesi, E.J., Pollock, C.J., Bollinger Jr, J.M., Krebs, C., DeBeer, S. (2020). High-resolution iron X-ray absorption spectroscopic and computational studies of non-heme diiron peroxo intermediates Journal of Inorganic Biochemistry 203, 110877. https://doi.org/10.1016/j.jinorgbio.2019.110877
• Liu, Y., Resch, S.G., Klawitter, I., Cutsail III, G.E., Demeshko, S., Dechert, S., Kühn, F.E., DeBeer, S., Meyer, F. (2020).  An Adaptable N‐Heterocyclic Carbene Macrocycle Hosting Copper in three Oxidation States Angewandte Chemie International Edition 59(14), 5696-5705. https://doi.org/10.1002/anie.201912745
• McGale, J., Cutsail III, G.E., Joseph, C., Rose, M.J., DeBeer, S. (2019). Spectroscopic X-ray and Mössbauer Characterization of M₆ and M₅ Iron(Molybdenum)-Carbonyl Carbide Clusters: High Carbide-Iron Covalency Enhances Local Iron Site Electron Density Despite Cluster Oxidation Inorganic Chemistry 58(19), 12918-12932. https://doi.org/10.1021/acs.inorgchem.9b01870
• Cutsail III, G.E., Gagnon, N.L., Spaeth, A.D., Tolman, W.B., DeBeer, S. (2019). Valence‐to‐Core X ray Emission Spectroscopy as a Probe of O‐O Bond Activation in Cu₂O₂ complexes Angewandte Chemie International Edition 58(27), 9114-9119. https://doi.org/10.1002/anie.201903749
• Helling, C., Wölper, C., Schulte, Y., Cutsail III, G.E., Schulz, S. (2019). Synthesis of a Ga-Stabilized As-Centered Radical and a Gallastibene by Tailoring Group 15 Element–Carbon Bond Strengths Inorganic Chemistry 58(15), 10323-10332. https://doi.org/10.1021/acs.inorgchem.9b01519
• Cutsail III, G.E., Banerjee, R., Zhou, A., Que, L., Lipscomb, J.D., DeBeer, S. (2018). High-Resolution EXAFS Provides Evidence for a Longer Fe•••Fe Distance in the Q Intermediate of Methane Monooxygenase Journal of the American Chemical Society 140(48), 16807-16820. https://doi.org/10.1021/jacs.8b10313
• Galle, L.M., Cutsail III, G.E., Nischwitz, V., DeBeer, S., Span, I. (2018). Spectroscopic characterization of the Co-substituted C-terminal domain of rubredoxin-2 Biological Chemistry 399(7), 787-798. https://doi.org/10.1515/hsz-2018-0142
• Ganesamoorthy, C., Helling, C., Wolper, C., Frank, W., Bill, E., Cutsail III, G.E., Schulz, S. (2018). From stable Sb- and Bi-centered radicals to a compound with a Ga=Sb double bond Nature Communications 9, 87. https://doi.org/10.1038/s41467-017-02581-2
• Horitani, M., Offenbacher, A.R., Carr, C.A.M., Yu, T., Hoeke, V., Cutsail III, G.E., Hammes-Schiffer, S., Klinman, J.P., Hoffman, B.M. (2017). ¹³C ENDOR Spectroscopy of Lipoxygenase-Substrate Complexes Reveals the Structural Basis for C-H Activation by Tunneling Journal of the American Chemical Society 139(5), 1984-1997. https://doi.org/10.1021/jacs.6b11856

Full publications list | ORCID | ResearcherID | Google Scholar Profile

Selected MPI CEC publications

• Wittmar, A. S. M., Vigneswaran, T., Rankovic, N., Hagemann, U., Hartmann, N., Martinez-Hincapie, R. A., Colic, V.,  Ulbricht, M. (2023). N-Doped porous carbons obtained from chitosan and spent coffee as electrocatalysts with tuneable oxygen reduction reaction selectivity for H2O2 generation. RSC Advances, 13(33), 22777-22788. doi:10.1039/d3ra02587j.
• Wegner, J., Martinez-Hincapie, R. A., Colic, V.,  Kleszczynski, S. (2023). Additively Manufactured Iron-Based Bulk Metallic Glass Composite Electrocatalysts: Effect of Microstructural States on the Oxygen Evolution Reaction Activity. Advanced Materials Interfaces, 2202499(10) pp. 1-11. doi:10.1002/admi.202202499.
• Ramesh, V., Stratmann, N., Schaufler, V., Angelov, S. D., Nordhorn, I. D., Heissler, H. E., Martinez-Hincapie,R.A.; Colic,V.; Rehbock, C.;Schwabe, K.;Karst, U.;Krauss, J.;Barcikowski, S.; (2022). Mechanical Stability of Nano-Coatings on Clinically Applicable Electrodes, Generated by Electrophoretic Deposition. Advanced Healthcare Materials, 11(23): 2102637, pp. 1-11. doi:10.1002/adhm.202102637.
• Firat, Y. E.,  Colic, V. (2022). Electrochemical Deposition of Multicomponent Mixed Metal Oxides on rGO/Ni Foam for All-Solid-State Asymmetric Supercapacitor Device: Mn, Co, and Ni Oxides with Ag Doping. Energies, 15(22): 8559, pp. 1-15. doi:10.3390/en15228559.
• Martinez-Hincapie, R. A., Colic, V. (2022). Electrocatalysts for the Oxygen Reduction Reaction: From Bimetallic Platinum Alloys to Complex Solid Solutions. CHEM ENGINEERING, 6(6): 1-9. doi:10.3390/chemengineering6010019.

Selected Publications

• Büker, J., Muhler, M.,  Peng, B. (2023). Concepts of Heterogeneously Catalyzed Liquid-Phase Oxidation of Cyclohexene with <i>tert</i>-Butyl Hydroperoxide, Hydrogen Peroxide and Molecular Oxygen. CHEMCATCHEM, 15(1): e202201216. doi:10.1002/cctc.202201216.
• Deitermann, M., Haver, Y., Mei, B. T.,  Muhler, M. (2023). The Influence of the Reaction Conditions on the Photocatalytic Gas-Phase Conversion of Methanol with Water Vapor over Pt/SrTiO3 in a Continuously Operated Flow Reactor. Advanced Sustainable Systems, 2300329, pp. 1-10. doi:10.1002/adsu.202300329.
• Mockenhaupt, B., Schwiderowski, P., Jelic, J., Studt, F., Muhler, M., Behrens, M. (2023). High-Pressure Pulsing of Ammonia Results in Carbamate as Strongly Inhibiting Adsorbate of Methanol Synthesis over Cu/ZnO/Al2O3. Journal of Physical Chemistry C, 127, 3497-3505. doi:10.1021/acs.jpcc.2c08823.
• Geiss, J., Büker, J., Schulte, J., Peng, B., Muhler, M., Winterer (2023). LaCo1-XFeXO3 Nanoparticles in Cyclohexene Oxidation. The Journal of Physical Chemistry C, (127), 5029-5038.https://doi.org/10.1021/acs.jpcc.2c08644
• Tang, D., Shen, Z., Lechler, S., Lu, G., Yao, L., Hu, Y., Huang, X., Muhler, M., Zhao, G.,  Peng, B. (2023). Aerobic oxidative lactonization of diols at room temperature over defective titanium-based oxides in water. JOURNAL OF CATALYSIS, 418, 237-246. doi:10.1016/j.jcat.2023.01.025.
• Falk, T., Budiyanto, E., Dreyer, M., Büker, J., Weidenthaler, C., Behrens, M., Tüysüz, H., Muhler, M.,  Peng, B. (2022). Doping of Nanostructured Co3O4 with Cr, Mn, Fe, Ni, and Cu for the Selective Oxidation of 2-Propanol. ACS Applied Nano Materials, (5), 17783-17794. doi:10.1021/acsanm.2c03757.
• Schwiderowski, P., Ruland, H.,  Muhler, M. (2022). Current developments in CO(2 )hydrogenation towards methanol: A review related to industrial application. Current Opinion in Green and Sustainable Chemistry, 38(38): 100688, .doi:10.1016/j.cogsc.2022.100688.
• Schwiderowski, P., Stürmer, S., Muhler, M. (2022). Probing the methanol-assisted autocatalytic formation of methanol over Cu/ZnO/Al2O3 by high-pressure methanol and methyl formate pulses. REACTION CHEMISTRY & ENGINEERING, 7(10),2224-2230. doi:10.1039/d2re00185c.
• Geiss, J., Falk, T., Ognjanovic, S., Anke, S., Peng, B., Muhler, M., Winterer, M. (2022). Atom Pair Frequencies as a Quantitative Structure-Activity Relationship for Catalytic 2-Propanol Oxidation over Nanocrystalline Cobalt-Iron-Spinel. The Journal of Physical Chemistry C, 126(25), 10346-10358. doi:10.1021/acs.jpcc.2c00788.
• Xiang, W., Yang, N., Li, X., Linnemann, J., Hagemann, U., Rüdiger, O.,Heidelmann,M.; Falk, T., Aramani, M., DeBeer, S., Muhler, M.,Tschulik, K., Li, T.. (2022). 3D atomic-scale imaging of mixed Co-Fe spinel oxide nanoparticles during oxygen evolution reaction. Nature Communications, 13(179), 1-14. doi:10.1038/s41467-021-277.
• Büker, J., Angel, S., Salamon, S., Landers, J., Falk, T., Wende, H., Wiggers, H., Schulz, C., Muhler, M.,  Peng, B. (2022). Structure-activity correlation in aerobic cyclohexene oxidation and peroxide decomposition over CoxFe3-xO4 spinel oxides. Catalysis Science & Technology, (12), 3594-3605. doi:10.1039/d2cy00505k.
• Huang, X., Li, X., Xia, W., Hu, B., Muhler, M., Peng, B. (2022). Highly dispersed Pd clusters/nanoparticles encapsulated in MOFs via in situ auto-reduction method for aqueous phenol hydrogenation. Journal of Materials Science & Technology, (109), 167-175. doi:10.1016/j.jmst.2021.08.079.
• Hu, B., Warczinski, L., Li, X., Lu, M., Bitzer, J., Heidelmann, M., Eckhard, T.,  Fu,Q.,Schulwitz, J.,Mingshi M.M.L., Kleist, W., Hättig, C., Muhler, M., Peng ,P.  (2021) Formic Acid-Assisted Selective Hydrogenolysis of 5-Hydroxymethylfurfural to 2,5-Dimethylfuran over Bifunctional Pd Nanoparticles Supported on N-Doped Mesoporous Carbon. Angewandte Chemie, International Edition in English, (60), 6807-6815. doi:10.1002/anie.202012816.
• Büker, J., Alkan, B., Chabbra, S., Kochetov, N., Falk, T., Schnegg, A., Schulz,C., Wiggers, H., Muhler, M., Peng, B. (2021) Liquid-Phase Cyclohexene Oxidation with O-2 over Spray-Flame-Synthesized La1-xSrxCoO3 Perovskite Nanoparticles. SI, 27(68), 16912-16923. doi:10.1002/chem.202103381.
• Brix, A. C., Morales, D. M., Braun, M., Jambrec, D., Junqueira, J. R. C., Cychy, S., Seisel, S.,Masa, J., Muhler, M., Andronescu, C., Schuhmann, W., (2021). Electrocatalytic Oxidation of Glycerol Using Solid-State Synthesised Nickel Boride: Impact of Key Electrolysis Parameters on Product Selectivity. ChemElectroChem, (8), 2336-2342. doi:10.1002/celc.202100739.
• Hu, Y., Shen, Z., Li, B., Li, S., Yue, J., Zhao, G., Muhler, M., Wang, X. (2021) Solvent Effects on Photocatalytic Anaerobic Oxidation of Benzyl Alcohol over Pt-Loaded Defective SrTiO3 Nanoparticles. ACS Applied Nano Materials, 4(9), 9254-9264. doi:10.1021/acsanm.1c01750.
• Falk, T., Anke, S., Hajiyani, H., Saddeler, S., Schulz, S., Pentcheva, R., Peng, B., Muhler, M. (2021) Influence of the particle size on selective 2-propanol gas-phase oxidation over Co3O4 nanospheres. Catalysis Science & Technology, (11) 7552-7562. doi:10.1039/d1cy00944c.
• Sikdar, N., Schwiderowski, P., Medina, D., Dieckhöfer, S., Quast, T., Brix, A. C.,  Cychy, S., Muhler, M.,  Masa, J., Schuhmann, W. (2021) Construction of a Poly(anthraquinone Sulfide)/Carbon Nanotube Composite with Enhanced Li-ion Storage Capacity. CHEMELECTROCHEM, 8(9), 1685-1693. doi:10.1002/celc.202100374.
• Falk, T., Budiyanto, E., Dreyer, M., Pflieger, C., Waffel, D., Büker, J., Weidenthaler, C., Ortega, K. F., Behrens, M., Tueysuez, H., Muhler, M., Peng, B. (2021) Identification of Active Sites in the Catalytic Oxidation of 2-Propanol over Co1+xFe2-xO4 Spinel Oxides at Solid/Liquid and Solid/Gas Interfaces. ChemCatChem, (13), 2942-2951. doi:10.1002/cctc.202100352.
• Zhao, G., Bonke, S. A., Schmidt, S., Wang, Z., Hu, B., Falk, T., Hu, Y., Rath, T ., Xia, W ., Peng, B., Schnegg, A., Weng, Y., Muhler, M. (2021) Highly Efficient and Selective Aerobic Oxidation of Cinnamyl Alcohol under Visible Light over Pt-Loaded NaNbO3 Enriched with Oxygen Vacancies by Ni Doping. ACS Sustainable Chemistry & Engineering, 9(15), 5422-5429. doi:10.1021/acssuschemeng.1c00460.
• Büker, J., Huang, X., Bitzer, J., Kleist, W., Muhler, M., Peng, B. (2021) Synthesis of Cu Single Atoms Supported on Mesoporous Graphitic Carbon Nitride and Their Application in Liquid-Phase Aerobic Oxidation of Cyclohexene. ACS CATALYSIS, (11), 7863-7875. doi:10.1021/acscatal.1c01468.
• R. Naumann d’Alnoncourt, X. Xia, J. Strunk, E. Löffler, O. Hinrichsen, M. Muhler, “The Influence of Strongly Reducing Conditions on Strong Metal-Support Interactions in Cu/ZnO Catalysts Used for Methanol Synthesis”, Phys. Chem. Chem. Phys. 8 (2006) 1525-1538.
• S. Kaluza, M.K. Schröter, R. Naumann d’Alnoncourt, T. Reinecke, M. Muhler, “High Surface Area ZnO Nanoparticles via a Novel Continuous Precipitation Route”, Adv. Funct. Mater. 18 (2008) 3670-3677
• S. Kundu, T. C. Nagaiah, W. Xia, Y. Wang, S. van Dommele, J. H. Bitter, M. Santa, G. Grundmeier, M. Bron, W. Schuhmann, M. Muhler, “Electrocatalytic activity and stability of nitrogen-containing carbon nanotubes in the oxygen reduction reaction”, J. Phys. Chem. C 113 (2009) 14302-14310.
• B. Graf, H. Schulte, M. Muhler, “The Formation of Methane over Iron Catalysts Applied in Fischer-Tropsch Synthesis: A Transient and Steady State Kinetic Study”, J. Catal. 276 (2010) 66-75.
• C. Li, A. Zhao, W. Xia, C. Liang, M. Muhler, „Quantitative studies on the oxygen and nitrogen functionalization of carbon nanotubes in the gas phase”, J. Phys. Chem. C 116 (2012) 20930−20936.
• S. Kundu, T. Chikka Nagaiah, X. Chen, W. Xia, M. Bron, W. Schuhmann, M. Muhler, „Synthesis of an improved hierarchical carbon-fiber composite as a catalyst support for platinum and its application in electrocatalysis”, Carbon 50 (2012) 4534-4542.
• K. Kähler, M.C. Holz, M. Rohe, A.C. van Veen, M. Muhler, “Methanol oxidation as probe reaction for active sites in Au/ZnO and Au/TiO₂ catalysts”, J. Catal. 299 (2013) 162-170.
• H. Düdder, K. Kähler, B. Krause, K. Mette, S. Kuhl, M. Behrens, V. Scherer, M. Muhler, „The role of carbonaceous deposits in the activity and stability of Ni-based catalysts applied in the dry reforming of methane”, Catal. Sci. Technol. 4 (2014) 3317-3328.
• Zhao, J. Masa, W. Xia, A. Maljusch, M.-G. Willinger, G. Clavel, K. Xie, R. Schlögl, W. Schuhmann, M. Muhler, “Spinel Mn-Co oxide in N-doped Carbon Nanotubes as Bifunctional Electrocatalyst Synthesized by Oxidative Cutting”, J. Am. Chem. Soc. 136 (2014) 7551–7554.
• J. Anton, J. Nebel, H. Song, C. Froese, P. Weide, H. Ruland, M. Muhler, S. Kaluza, “Structure–activity relationships of Co-modified Cu/ZnO/Al₂O₃ catalysts applied in the synthesis of higher alcohols from synthesis gas”, Appl. Catal. A: General 505 (2015) 326-333.
• R. Chetty, K. K. Maniam, W. Schuhmann, M. Muhler, “Oxygen-Plasma-Functionalized Carbon Nanotubes as Supports for Platinum-Ruthenium Catalysts Applied in Electrochemical Methanol Oxidation”, ChemPlusChem 80 (2015) 130-135.
• W. Dong, S. Reichenberger, S. Chu, P. Weide, H. Ruland, S. Barcikowski, P. Wagener, M. Muhler, (2015)The effect of the Au loading on the liquid-phase aerobic oxidation of ethanol over Au/TiO₂ catalysts prepared by pulsed laser ablation”, J. Catal. 330 (2015) 497-506.
• J. Anton, J. Nebel, H. Song, C. Froese, P. Weide, H. Ruland, M. Muhler, S. Kaluza, “The effect of sodium on the structure–activity relationships of cobalt-modified Cu/ZnO/Al₂O₃ catalysts applied in the hydrogenation of carbon monoxide to higher alcohols”, J. Catal. 335 (2016) 175–186.

Full publications list | ORCID: 0000-0002-4970-2957

• Kaya, K., Ditz, D., Jaworski, A., Chen, J., Monti, S., Barcaro, G., Budnyk, S., Slabon, A., Palkovits, R. (2023). Enhanced Solar CO2 Photoreduction to Formic Acid by Platinum Immobilization on Bipyridine Covalent Triazine Framework with Defects. Advanced Sustainable Systems, (xx): 2300071, pp. 1-12. doi:10.1002/adsu.202300071.
• Favaro, M. A., Yang, J., Ditz, D., Kucukkececi, H., Alkhurisi, M. H., Bergwinkl, S., Thomas, A., Quadrelli, E. A., Palkovits, R., Canivet, J., Wisser, F. M. (2023). Pyrene- and Bipyridine-based Covalent Triazine Framework as Versatile Platform for Photocatalytic Solar Fuels Production. ChemCatChem, (15): e202300194, pp. 1-7. doi:10.1002/cctc.202300197.
• Sackers, N. M., Iemhoff, A., Sautet, P., Palkovits, R. (2023). Understanding the structure of isolated iridium sites anchored on a covalent triazine framework. Catalysis Science & Technology, (13),2652-2655 doi:10.1039/d3cy00232b.
• Mürtz, S. D., Musialek, F., Pfänder, N.,  Palkovits, R. (2023). Bimetallic PtCu/C Catalysts for Glycerol Assisted Hydrogen Evolution in Acidic Media. ChemElectroChem, (10): e202201114, pp. 1-7. doi:10.1002/celc.202201114.
• Vennewald, M., Sackers, N. M., Iemhoff, A., Kappel, I., Weidenthaler, C., Meise, A., Heggen, M., Dunin-Borkowski, R. E., Keenan, L.,  Palkovits, R. (2023). Dynamics of palladium single-atoms on graphitic carbon nitride during ethylene hydrogenation. Journal of Catalysis, (421), 134-144. doi:10.1016/j.jcat.2023.03.011.
• Li, Z., Yi, X., Wang, Q., Li, Y., Li, D., Palkovits, R., Beine, K., Liu, C., Wang, X. (2023). Selective Production of Glycolic Acid from Cellulose Promoted by Acidic/Redox Polyoxometalates via Oxidative Hydrolysis. ACS Catalysis, (13), 4575-4586. doi:10.1021/acscatal.2c05568.
• Yan, D., Mebrahtu, C., Wang, S., Palkovits, R. (2023). Innovative Electrochemical Strategies for Hydrogen Production: From Electricity Input to Electricity Output. Angewandte Chemie, International Edition in English, (62) e202214333, pp. 2-21. doi:10.1002/anie.202214333.
• Sebastian, J., Mebrahtu, C.,  Palkovits, R. (2023). Influence and stability of the surface density of MoOx on TiO2 in deoxydehydration: structure-activity correlations. Catalysis Science & Technology, (13), 1087-1097. doi:10.1039/d2cy01854c.
• Iemhoff, A., Vennewald, M.,  Palkovits, R. (2023). Single-Atom Catalysts on Covalent Triazine Frameworks: at the Crossroad between Homogeneous and Heterogeneous Catalysis. Angewandte Chemie, International Edition in English, (62): e202212015, pp. 1-15. doi:10.1002/anie.202212015.
• Merchan, A. L., Fischöder, T., Hee, J., Lehnertz, M. S., Osterthun, O., Pielsticker, S., Schleier, J., Tiso, T., Blank, L. M., Klankermayer, J., Kneer, R., Quicker, P., Walther, G.,  Palkovits, R. (2022). Chemical recycling of bioplastics: technical opportunities to preserve chemical functionality as path towards a circular economy. Green Chemistry, (24), 9428-9449. doi:10.1039/d2gc02244c.
• Kipshagen, A., Baums, J. C., Hartmann, H., Besmehn, A., Hausoul, P. J. C.,  Palkovits, R. (2022). Formic acid as H-2 storage system: hydrogenation of CO2 and decomposition of formic acid by solid molecular phosphine catalysts. Catalysis Science & Technology, (12),5649-5656. doi:10.1039/d2cy00608a.

Top 10 Publications

1. C. Broicher, M. Klingenhof, M. Frisch, S. Dresp, N. M. Kubo, J. Artz, J. Radnik, S. Palkovits, A. K. Beine, P. Strasser, R. Palkovits, Catalysis Science & Technology 2021, doi: 10.1039/d1cy00905b.
2. M. O. Haus, A. Meledin, S. Leiting, Y. Louven, N. C. Roubicek, S. Moos, C. Weidenthaler, T. E. Weirich, R. Palkovits, ACS Catalysis 2021, 11, 5119-5134.
3. C. Broicher, F. Zeng, N. Pfänder, M. Frisch, T. Bisswanger, J. Radnik, J. M. Stockmann, S. Palkovits, A. K. Beine, R. Palkovits, ChemCatChem 2020, 12, 5378-5384.
4. X. Wang, A. K. Beine, P. J. C. Hausoul, R. Palkovits, ChemSusChem 2020, 13, 126-130.
5. X. Wang, A. K. Beine, P. J. C. Hausoul, R. Palkovits, ChemCatChem 2019, 11, 4123-4129.
6. R. Palkovits, S. Palkovits, ACS Catalysis 2019, 9, 8383-8387.
7. A. K. Beine, C. Broicher, Q. Hu, L. Mayerl, T. Bisswanger, H. Hartmann, A. Besmehn, S. Palkovits, A.-H. Lu, R. Palkovits, Catalysis Science & Technology 2018, 8, 6311-6315.
8. A. K. Beine, A. J. D. Krüger, J. Artz, C. Weidenthaler, C. Glotzbach, P. J. C. Hausoul, R. Palkovits, Green Chemistry 2018, 20, 1316-1322.
9. P. J. C. Hausoul, A. K. Beine, L. Neghadar, R. Palkovits, Catalysis Science & Technology 2017, 7, 56-63.
10. I. Delidovich, P. J. C. Hausoul, R. Pfützenreuter, M. Rose, R. Palkovits, Chemical Reviews 2016, 116, 1540-1599.

Full Publicationslist

Selected Publications

• Chongdar, N., Rodriguez-Macia, P., Reijerse, E. J., Lubitz, W., Ogata, H., Birrell, J. A. (2023). Redox tuning of the H-cluster by second coordination sphere amino acids in the sensory [FeFe] hydrogenase from Thermotoga maritima. Chemical Science, (14), 3682-3692 doi:10.1039/d2sc06432d.
• Lubitz, W., Pantazis, D. A., Cox, N. (2023). Water oxidation in oxygenic photosynthesis studied by magnetic resonance techniques. FEBS Letters, (597), 6-29. doi:10.1002/1873-3468.14543.
• Furlan, C., Chongdar, N., Gupta, P., Lubitz, W., Ogata, H., Blaza, J. N., Birrell, J. A. (2022). Structural insights on the mechanism of the electron-bifurcating [FeFe] hydrogenase from Thermotoga maritima. eLife 11, e79361 , 1-20.https://doi.org/10.7554/eLife.79361
• Sanchez, M. L. K., Wiley, S., Reijerse, E. J., Lubitz, W., Birrell, J. A., Dyer, R. B. (2022). Time-Resolved Infrared Spectroscopy Reveals the pH-Independence of the First Electron Transfer Step in the [FeFe] Hydrogenase Catalytic Cycle. The Journal of Physical Chemistry Letters, 13(25), 5986-5990. doi:10.1021/acs.jpclett.2c01467.
• Lubitz, W.,  Savitsky, A. (2022). Special Issue of Applied Magnetic Resonance Celebrating the 85th Birthdays of Klaus Mobius and Kev M. Salikhov. Applied Magnetic Resonance,(53),457-465. doi:10.1007/s00723-022-01465-z.
• Niklas, J., Agostini, A., Carbonera, D., Di Valentin, M.,  Lubitz, W. (2022). Primary donor triplet states of Photosystem I and II studied by Q-band pulse ENDOR spectroscopy. Photosynthesis Research, 1-22. doi:10.1007/s11120-022-00905-y.
• Möbius, K., Lubitz, W., & Savitsky, A. (2021). CIDEP-Enhanced ENDOR of short-lived radicals. Recollections of first joint experiments with Renad Sagdeev. RUSSIAN CHEMICAL BULLETIN, 70(12), 2445-2456. doi:10.1007/s11172-021-3366
• Savitsky, A., Nalepa, A., Petrenko, T., Plato, M., Möbius, K.,  Lubitz, W. (2021). Hydrogen-Bonded Complexes of Neutral Nitroxide Radicals with 2-Propanol Studied by Multifrequency EPR/ ENDOR. Applied Magnetic Resonance, (xx), xx-xx. doi:10.1007/s00723-021-01442-y.
• Caspy, I., Neumann, E., Fadeeva, M., Liveanu, V., Savitsky, A., Frank, A., Kalisman,Y. L., Shkolnisky, Y., Murik,O., Treves, H., Hartmann, V., Nowaczyk, M. M., Schuhmann, W., Rögner, M., Willner, I., Kaplan, A., Schuister, G., Nelson, N., Lubitz, W., Nechushtai, R.  (2021). Cryo-EM photosystem I structure reveals adaptation mechanisms to extreme high light in Chlorella ohadii. Nature Plants, 7(9), 1314-1322. doi:10.1038/s41477-021-00983-1.
• Pelmenschikov, V., Birrell, J. A., Gee, L. B., Richers, C. P., Reijerse, E. J., Wang, H., Arragain, S.; Mishra, N.; Yoda, Y.; Matsuura, H .;Li, L .; Tamasaku, K.; Rauchfuss, T. B.; Lubitz, W., Cramer, S. P. (2021). Vibrational Perturbation of the [FeFe] Hydrogenase H-Cluster Revealed by (CH)-C-13-H-2-ADT Labeling. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 143(22), 8237-8243. doi:10.1021/jacs.1c02323.
• Zalibera, M., Ziegs, F., Schiemenz, S., Dubrovin, V., Lubitz, W., Savitsky, A., Deng, S. H. M., Wang, X.-B., Avdoshenko, S., Popov, A.A. (2021). Metallofullerene photoswitches driven by photoinduced fullerene-to-metal electron transfer. Chemical Science, (12) 7818-7838. doi:10.1039/d0sc07045a.
• F. Lendzian, M. Huber, R.A. Isaacson, B. Endeward, M. Plato, B. Bönigk, K. Möbius, W. Lubitz and G. Feher The Electronic Structure of the Primary Donor Cation Radical in Rhodobacter sphaeroides R-26: ENDOR and TRIPLE Resonance Studies in Single Crystals of Reaction Centers Biochim. Biophys. Acta 1183, 139-160 (1993)
• W. Lubitz and G. Feher The Primary and Secondary Acceptors in Bacterial Photosynthesis III. Characterization of the Quinone Radicals Q^-·_A and Q^-·_B and by EPR and ENDOR Appl. Magn. Res. 17, 1-48 (1999)
• W. Lubitz, F. Lendzian, R. Bittl Radicals, Radical Pairs and Triplet States in Photosynthesis Acc. Chem. Res. 35, 313-320 (2002)
• M. Brecht, M. van Gastel, T. Buhrke, B. Friedrich, W. Lubitz Direct Detection of a Hydrogen Ligand in the [NiFe] Center of the Regulatory H₂-Sensing Hydrogenase from Ralstonia eutropha in its Reduced State by HYSCORE and ENDOR Spectroscopy J. Am. Chem. Soc. 125, 13075-13083 (2003)
• A. Savitsky, A. A. Dubinskii, M. Flores, W. Lubitz, K. Möbius Orientation-resolving Pulsed Electron Dipolar High-field EPR Spectroscopy on Disordered Solids: I. Structure of Spin-correlated Radical Pairs in Bacterial Photosynthetic Reaction Centers J. Phys. Chem. B 111, 6245-6262 (2007)
• L. V. Kulik, B. Epel, W. Lubitz, J. Messinger Electronic Structure of the Mn₄O_xCa Cluster in the S₀ and S₂ States of the Oxygen-evolving Complex of Photosystem II Based on Pulse ⁵⁵Mn-ENDOR and EPR Spectroscopy J. Am. Chem. Soc. 129, 13421 -13435 (2007)
• A. Silakov, E. J. Reijerse, S. P. J. Albracht, E. C. Hatchikian, W. Lubitz The Electronic Structure of the H-cluster in the [FeFe]-hydrogenase from Desulfovibrio desulfuricans: A Q-band ⁵⁷Fe-ENDOR and HYSCORE Study J. Am. Chem. Soc. 129, 11447-11458 (2007)
• A. Silakov, B. Wenk, E.J. Reijerse, W. Lubitz ¹⁴N HYSCORE Investigation of the H-cluster of [FeFe] Hydrogenase: Evidence for a Nitrogen in the Dithiol Bridge Phys. Chem. Chem. Phys. 11, 6592 – 6599 (2009)
• N. Cox, H. Ogata, P. Stolle, E.J. Reijerse, G. Auling, W. Lubitz A Tyrosyl-Dimanganese Coupled Spin System is the Native Metalloradical Cofactor of the R2F Subunit of the Ribonucleotide Reductase of Corynebacterium ammoniagenes J. Am Chem. Soc. 132, 11197–11213 (2010)
• M.E. Pandelia, W. Nitschke, P. Infossi, M.-T. Giudici-Orticoni, E. Bill, W. Lubitz Characterization of a Unique [FeS] Cluster in the Electron Transfer Chain of the Oxygen Tolerant [NiFe] Hydrogenase from Aquifex aeolicus P. Natl. Acad. Sci. USA, 108, 6097-6102 (2011)
• D.A. Pantazis, W. Ames, N. Cox, W. Lubitz, F. Neese Two Interconvertible Structures Explain the Spectroscopy of the Oxygen Evolving Complex in the S₂ State Angew. Chem. Int. Ed. 51, 9935 –9940 (2012) Angew.Chem. 124, 10074 –10079 (2012)
• L. Rapatskiy, N. Cox, A. Savitsky, W. Ames, J. Sander, M. Nowacyzk, M. Rögner, A. Boussac, F. Neese, J. Messinger, W. Lubitz Detection of the Water Binding Sites of the Oxygen-evolving Complex of Photosystem II Using W-band ¹⁷O Electron-Electron Double Resonance Detected NMR Spectroscopy J. Am. Chem. Soc. 134, 16619-16634 (2012)
• G. Berggren, A. Adamska, C. Lambertz, T. Simmons, J. Esselborn, M. Atta, S. Gambarelli, J.M. Mouesca, E.J. Reijerse, W. Lubitz, T. Happe, V. Artero, M. Fontecave Biomimetic Assembly and Activation of [FeFe]-Hydrogenases Nature 499, 66–69 (2013)
• J. Esselborn, C. Lambertz, A. Adamska-Venkatesh, T. Simmons, G. Berggren, J. Noth, J. Siebel, A. Hemschemeier, V. Artero, E.J. Reijerse, M. Fontecave, W. Lubitz, T. Happe Spontaneous Activation of [FeFe]-hydrogenases by an inorganic [2Fe] Active Site Mimic Nat. Chem. Biol. 9, 607-609 (2013)
• W. Lubitz, H. Ogata, O. Rüdiger, E.J. Reijerse Hydrogenases Chem. Rev. 114, 4081-4148 (2014)
• N. Plumeré, O. Rüdiger, A. A. Oughli, R. Williams, J. Vivekananthan, S. Pöller, W. Schuhmann, W. Lubitz A Redox Hydrogel Protects Hydrogenase from High Potential Deactivation and Oxygen Damage Nat. Chem. 6, 822–827 (2014)
• N. Cox, M. Retegan, F. Neese, D.A. Pantazis, A. Boussac, W. Lubitz Electronic Structure of the Oxygen-evolving Complex in Photosystem II Prior to O-O Bond Formation Science 345, 804-808 (2014)
• H. Ogata, K. Nishikawa, W. Lubitz Hydrogens Detected by Subatomic Resolution Protein Crystallography in a [NiFe] Hydrogenase Nature 520, 571-574 (2015)
• V. Krewald, M. Retegan, N. Cox, J. Messinger, W. Lubitz, S. DeBeer, F. Neese, D.A. Pantazis Metal Oxidation States in Biological Water Splitting Chem. Sci. 6, 1676-1695 (2015)
• F. Wang, R. Büchel, A. Savitsky, M. Zalibera, D. Widmann, S. E. Pratsinis, W. Lubitz, F. Schüth In situ EPR Study of the Redox Properties of CuO-CeO₂ Catalysts for the Preferential CO Oxidation (PROX) ACS Catal. 6, 3520-3530 (2016)
• C. Sommer, A. Adamska-Venkatesh, K. Pawlak, J. Birrell, E. Reijerse, W. Lubitz Proton Coupled Electron Transfer whithin the H-Cluster as an Essential Step in the Catalytic Cycle of [FeFe] Hydrogenases J. Am. Chem. Soc. 139, 1440-1443 (2017)
• E. Reijerse, C. Pham, V. Pelmenschikov, R. Gilbert-Wilson, A. Adamska-Venkatesh, J. Siebel, L. Gee, Y. Yoda, K. Tamasaku, W. Lubitz, T. Rauchfuss, S. Cramer Direct Observation of an Iron-bound Terminal Hydride in [FeFe]-hydrogenase by Nuclear Resonance Vibrational Spectroscopy J. Am. Chem. Soc. 139, 4306-4309 (2017)
• S. Rumpel, E. Ravera, C. Sommer, E. Reijerse, C. Farés, C. Luchinat, W. Lubitz 1H NMR Spectroscopy of [FeFe] Hydrogenase: Insight into the Electronic Structure of the Active Site J. Am. Chem. Soc. 140, 131-134 (2018)
• S. Rumpel, C. Sommer, E. Reijerse, C. Farès, W. Lubitz Direct Detection of the Terminal Hydride Intermediate in [FeFe] Hydrogenase by NMR Spectroscopy J. Am. Chem. Soc. 140, 3863-3866 (2018)
• K. Möbius, W. Lubitz, N. Cox, A. Savitsky Biomolecular EPR Meets NMR at High Magnetic Fields Magnetochemistry, 4, 50, doi: 10.3390/magnetochemistry4040050 (2018)

Researcher ID

Selected publications

• Depenbrock, F., Limpke, T., Bill, E., SantaLucia, D. J., van Gastel, M., Walleck, S., Oldengott, J., Stammler, A., Bögge, H.,  Glaser, T. (2023) Reactivities and Electronic Structures of μ-1,2-Peroxo and μ-1,2-Superoxo Co^IIICo^III Complexes: Electrophilic Reactivity and O₂ Release Induced by Oxidation. INORGANIC CHEMISTRY, 62(43), 17913-17930. doi:10.1021/acs.inorgchem.3c02782.
• Pang, Y., Nöthling, N., Leutzsch, M., Kang, L., Bill, E., van Gastel, M., Reijerse, E., Goddard, R., Wagner, L., SantaLucia, D., DeBeer, S., Neese, F.,  Cornella, J. (2023). Synthesis and isolation of a triplet bismuthinidene with a quenched magnetic response. Science, 380 (6649), 1043-1048. doi:10.1126/science.adg2833.
• Hau, J.-L., Kaltwasser, S., Muras, V., Casutt, M. S., Vohl, G., Claussen, B., Steffen, W., Leitner, A., Bill, E., Cutsail, G. E., DeBeer, S., Vonck, J., Steuber, J., Fritz, G. (2023). Conformational coupling of redox-driven Na+-translocation in <i>Vibrio cholerae</i> NADH:quinone oxidoreductase. Nature Structural & Molecular Biology, (xx), 1-31. doi:10.1038/s41594-023-01099-0.
• Gupta, S. K., Rao, S. V., Demeshko, S., Dechert, S., Bill, E., Atanasov, M., Neese, F.,  Meyer, F. (2023). Air-stable four-coordinate cobalt(ii) single-ion magnets: experimental and ab initio ligand field analyses of correlations between dihedral angles and magnetic anisotropy. Chemical Science, 14(23), 6355-6374. doi:10.1039/d3sc00813d.
• McWilliams, S. F., Mercado, B. Q., MacLeod, K. C., Fataftah, M. S., Tarrago, M., Wang, X., Bill, E., Ye, S.,  Holland, P. L. (2023). Dynamic effects on ligand field from rapid hydride motion in an iron(ii) dimer with an S=3 ground state. Chemical Science, (14), 2303-2312. doi:10.1039/d2sc06412j.
• Liratzis, I., Walleck, S., Oldengott, J., Stammler, A., Bögge, H., Bill, E., Glaser, T. (2022). Zero-Field Splittings and Redox Potentials in an Isostructural Series of Dinuclear (FeTiIV)-Ti-II, (FeTiIV)-Ti-III, and (MnTiIV)-Ti-II Complexes with a Face-Sharing Bridging Motive. European Journal of Inorganic Chemistry, (26): e2022000650, pp. 1-11. doi:10.1002/ejic.202200650.
• Ni, L., Gallenkamp, C., Wagner, S., Bill, E., Krewald, V.,  Kramm, U. I. (2022). Identification of the Catalytically Dominant Iron Environment in Iron- and Nitrogen-Doped Carbon Catalysts for the Oxygen Reduction Reaction. Journal of the American Chemical Society, (144), 16827-16840. doi:10.1021/jacs.2c04865.
• Rohs, F. L. B., Dammers, S., Stammler, A., Oldengott, J., Bögge, H., Bill, E.,  Glaser, T. (2022). Dinuclear Diferrous Complexes of a Bis(tetradentate) Dinucleating Ligand: Influence of the Exogenous Ligands on the Molecular and Electronic Structures. European Journal of Inorganic Chemistry, 2022(18): e202200177, pp. 1-12. doi:10.1002/ejic.202200
• Beele, B. B., Bill, E., Mohr, F. (2022). S,O or S,N Coordination? Unraveling the Coordination Modes of Arenesulfonylthiourea Ligands. Crystal Growth & Design, 22(5), 3442-3456. doi:10.1021/acs.cgd.2c00231.
• Lohmiller, T., Spyra, C.-J., Dechert, S., Demeshko, S., Bill, E., Schnegg, A., Meyer, F. (2022). Antisymmetric Spin Exchange in a mu-1,2-Peroxodicopper(II) Complex with an Orthogonal Cu-O-O-Cu Arrangement and S = 1 Spin Ground State Characterized by THz-EPR. JACS Au, 2(5), 1134-1143. doi:10.1021/jacsau.2c00139.
• Graziano, B. J., Scott, T. R., Vollmer, M. V., Dorantes, M. J., Young Jr., V. G., Bill, E., Gagliardi, L.,  Lu, C. C. (2022). One-electron bonds in copper-aluminum and copper-gallium complexes. Chemical Science, (13),6525-6531 doi:10.1039/d2sc01998a.
• Chatterjee, S., Harden, I., Bistoni, G., Castillo, R. G., Chabbra, S., van Gastel, M., Schnegg, A., Bill, E., Birrell, J. A., Morandi, B., Neese, F., DeBeer, S. (2022). A Combined Spectroscopic and Computational Study on the Mechanism of Iron-Catalyzed Aminofunctionalization of Olefins Using Hydroxylamine Derived N-O Reagent as the "Amino" Source and "Oxidant". Journal of the American Chemical Society, 144(6), 2637-2656. doi:10.1021/jacs.1c11083.
• Monkcom, E. C., Negenman, H. A., Masferrer-Rius, E., Lutz, M., Ye, S., Bill, E.,  Gebbink, R. J. M. K. (2022). 2H1C Mimicry: Bioinspired Iron and Zinc Complexes Supported by N,N,O Phenolate Ligands. European Journal of Inorganic Chemistry, e202101046, pp. 1-14. doi:10.1002/ejic.202101046.
• Walleck, S., Zimmermann, T. P., Hachmeister, H., Pilger, C., Huser, T., Katz, S., Hildebrandt, P., Stammler, A., Bögge, H., Bill, E.,  Glaser, T. (2022). Generation of a mu-1,2-hydroperoxo (FeFeIII)-Fe-III and a mu-1,2-peroxo (FeFeIII)-Fe-IV Complex. Nature Communications, 13(1): 1376, pp. 1-11. doi:10.1038/s41467-022-28894-5.
• Gordon, J. B., Albert, T., Dey, A., Sabuncu, S., Siegler, M. A., Bill, E., Moenne-Loccoz, P., Goldberg, D. P. (2021) A Reactive, Photogenerated High-Spin (S=2) Fe-IV(O) Complex via O-2 Activation. Journal of the American Chemical Society, (143), 21637-21647. doi:10.1021/jacs.1c10051.
• Kinzel, N. W., Demirbas, D., Bill, E., Weyhermüller, T., Werlé, C., Kaeffer, N., Leitner, W. (2021). Systematic Variation of 3d Metal Centers in a Redox-Innocent Ligand Environment: Structures, Electrochemical Properties, and Carbon Dioxide Activation. Inorganic Chemistry, (xx), xx-xx. doi:10.1021/acs.inorgchem.1c02909.
• McPherson, J. N., Miller, C. J., Wegeberg, C., Chang, Y., Hedegard, E. D., Bill, E., Wait, T. D., McKenzie, C. J. (2021). Cooperative Co-Activation of Water and Hypochlorite by a Non-Heme Diiron(III) Complex. Journal of the American Chemical Society, 143(37), 15400-15412. doi:10.1021/jacs.1c07669.
• Walleck, S., Atanasov, M., Schnack, J., Bill, E., Stammler, A., Bögge, H., Glaser, T. (2021). Rational Design of a Confacial Pentaoctahedron: Anisotropic Exchange in a Linear (ZnFeFeFeZnII)-Fe-II-Fe-III-Fe-III-Zn-III Complex. Chemistry – A European Journal.(27) 15240-15251 doi:10.1002/chem.202102572.
• Doll, J. S., Eichelmann, R., Hertwig, L. E., Bender, T., Kohler, V. J., Bill, E., Wadepohl,H.; Rosca,D.-A. (2021). Iron-Catalyzed Trimerization of Terminal Alkynes Enabled by Pyrimidinediimine Ligands: A Regioselective Method for the Synthesis of 1,3,5-Substituted Arenes. ACS Catalysis, 11(9), 5593-5600. doi:10.1021/acscatal.1c00978.
• Zhang, L., Bill, E., Kroneck, P. M. H., Einsle, O. (2021). A [3Cu:2S] cluster provides insight into the assembly and function of the Cu-Z site of nitrous oxide reductase. Chemical Science, 12(9), 3239-3244. doi:10.1039/d0sc05204c.
• Tarrago, M., Römelt, C., Nehrkorn, J., Schnegg, A., Neese, F., Bill, E.,  Ye, S. (2021). Experimental and Theoretical Evidence for an Unusual Almost Triply Degenerate Electronic Ground State of Ferrous Tetraphenylporphyrin. Inorganic chemistry. doi:10.1021/acs.inorgchem.1c00031.
• Strautmann J. B. H., C.-G. F. von Richthofen, G. Heinze-BrÅckner, S. DeBeer, E. Bothe, E. Bill, T. WeyhermÅller, A. Stammler, H. Bîgge and T. Glaser: Molecular and Electronic Structures of Dinuclear Iron Complexes Incorporating Strongly Electron-Donating Ligands: Implications for the Generation of the One- and Two-Electron Oxidized Forms. Inorg. Chem. 50, 155-171 (2011)
• Safaei E., M. Rasouli, T. WeyhermÅller and E. Bill: Synthesis and characterization of binuclear ONXO -type amine-bis(phenolate) copper(II) complexes. Inorganica Chimica Acta 375, 158-165 (2011)
• Rodriguez M. M., E. Bill, W. W. Brennessel and P. L. Holland: N2 Reduction and Hydrogenation to Ammonia by a Molecular Iron-Potassium Complex. Science 334, 780-783 (2011)
• Rather L. J., T. Weinert, U. Demmer, E. Bill, W. Ismail, G. Fuchs and U. Ermler: Structure and Mechanism of the Diiron Benzoyl-Coenzyme A Epoxidase BoxB. J. Biol. Chem. 286, 29241-29248 (2011)
• Rather L. J., E. Bill, W. Ismail and G. Fuchs: The reducing component BoxA of benzoyl-coenzyme A epoxidase from Azoarcus evansii is a 4Fe-4S protein. Biochimica Et Biophysica Acta-Proteins and Proteomics 1814, 1609-1615 (2011)
• Presow S. R., M. Ghosh, E. Bill, T. WeyhermÅller and K. Wieghardt: Molecular and electronic structures of new iron complexes containing N,S-coordinated o-iminothionebenzosemiquinonate(1-) pi radical ligands: An experimental and density functional theoretical study. Inorganica Chimica Acta 374, 226-239 (2011)
• Pfaff F. F., S. Kundu, M. Risch, S. Pandian, F. Heims, I. Pryjomska-Ray, P. Haack, R. Metzinger, E. Bill, H. Dau, P. Comba and K. Ray: An Oxocobalt(IV) Complex Stabilized by Lewis Acid Interactions with Scandium(III) Ions. Angew. Chem. Int. Ed. 50, 1711-1715 (2011)
• Pandelia M.-E., W. Nitschke, P. Infossi, M.-T. Giudici-Orticoni, E. Bill and W. Lubitz: Characterization of a unique FeS cluster in the electron transfer chain of the oxygen tolerant NiFe hydrogenase from Aquifex aeolicus. Proc. Natl. Acad. Sci, USA 108, 6097-6102 (2011)
• Nippe M., E. Bill and J. F. Berry: Group 6 Complexes with Iron and Zinc Heterometals: Understanding the Structural, Spectroscopic, and Electrochemical Properties of a Complete Series of M equivalent to M ... M ' Compounds. Inorg. Chem. 50, 7650-7661 (2011)
• Neuba A., U. Floerke, W. Meyer-Klaucke, M. Salomone-Stagni, E. Bill, E. Bothe, P. Hoefer and G. Henkel: The Trinuclear Copper(I) Thiolate Complexes Cu(3)(NGuaS)(3) (0/1+) and their Dimeric Variants Cu(6)(NGuaS)(6) (1+/2+/3+) with Biomimetic Redox Properties. Angew. Chem. Int. Ed. 50, 4503-4507 (2011)
• Khusniyarov M. M., E. Bill, T. WeyhermÅller, E. Bothe and K. Wieghardt: Hidden Noninnocence: Theoretical and Experimental Evidence for Redox Activity of a beta-Diketiminate(1-) Ligand. Angew. Chem. Int. Ed. 50, 1652-1655 (2011)
• Kajiwara T., R. Wagner, E. Bill, T. Weyhermueller and P. Chaudhuri: Non-oxo 5-coordinate and 6-coordinate vanadium(IV) complexes with their precursor LV(III)(CH(3)OH) (0), where L = a trianionic aminetris(phenolate)- N,O,O,O donor ligand: a magnetostructural and EPR study. Dalton Trans. 40, 12719-12726 (2011)
• GÅtlich P., E. Bill and A. X. Trautwein (2011). Mîssbauer Spectroscopy and Transition Metal Chemistry. Berlin Heidelberg, Springer Verlag.
• Clark M. M., B. D. Stubbert, W. W. Brennessel, E. Bill and P. L. Holland: Synthesis, Structure, and Spectroscopy of an Iron(I)-Sulfide Complex. Inorg. Chem, accepted (2011)
• Bowman A. C., C. Milsmann, E. Bill, Z. R. Turner, E. Lobkovsky, S. DeBeer, K. Wieghardt and P. J. Chirik: Synthesis and Electronic Structure Determination of N-Alkyl-Substituted Bis(imino)pyridine Iron Imides Exhibiting Spin Crossover Behavior. J. Am. Chem. Soc. 133, 17353-17369 (2011)
• Arumugam K., M. C. Shaw, J. T. Mague, E. Bill, S. Sproules and J. P. Donahue: Long-Range Spin Coupling: A Tetraphosphine-Bridged Palladium Dimer. Inorg. Chem. 50, 2995-3002 (2011)
• Albers A., S. Demeshko, S. Dechert, E. Bill, E. Bothe and F. Meyer: The Complete Characterization of a Reduced Biomimetic [2?Fe-2?S] Cluster. Angew. Chem. Int. Ed. 50, 9191-9194 (2011)
• Yao S., Y. Xiong, C. Milsmann, E. Bill, S. Pfirrmann, C. Limberg and M. Driess: Reversible P(4) Activation with Nickel(I) and an eta(3)-Coordinated Tetraphosphorus Ligand between Two Ni(I) Centers. Chem. -Eur. J. 16, 436-439 (2010)
• Yao S., C. Herwig, Y. Xiong, A. Company, E. Bill, C. Limberg and M. Driess: Monooxygenase-Like Reactivity of an Unprecedented Heterobimetallic {FeO(2)Ni} Moiety. Angew. Chem. Int. Ed. 49, 7054-7058 (2010)
• Woertink J. S., L. Tian, D. Maiti, H. R. Lucas, R. A. Himes, K. D. Karlin, F. Neese, C. Wuertele, M. C. Holthausen, E. Bill, J. Sundermeyer, S. Schindler and E. I. Solomon: Spectroscopic and Computational Studies of an End-on Bound Superoxo-Cu(II) Complex: Geometric and Electronic Factors That Determine the Ground State. Inorg. Chem. 49, 9450-9459 (2010)
• Shima S., S. Vogt, A. Gîbels and E. Bill: Iron-Chromophore Circular Dichroism of Fe -Hydrogenase: The Conformational Change Required for H(2) Activation. Angew. Chem. Int. Ed. 49, 9917-9921 (2010)
• Schwenkert S., D. J. A. Netz, J. Frazzon, A. J. Pierik, E. Bill, J. Gross, R. Lill and J. Meurer: Chloroplast HCF101 is a scaffold protein for 4Fe-4S cluster assembly. Biochemical Journal 425, 207-214 (2010)
• Safaei E., A. Wojtczak, E. Bill and H. Hamidi: Synthesis, crystal structure, magnetic and redox properties of Cu(II)-Cu(II) binuclear complexes of bis(phenol) amine ligands. Polyhedron 29, 2769-2775 (2010)
• Podtetenieff J., A. Taglieber, E. Bill, E. J. Reijerse and M. T. Reetz: An Artificial Metalloenzyme: Creation of a Designed Copper Binding Site in a Thermostable Protein. Angew. Chem. Int. Ed. 49, 5151 - 5155 (2010)
• Pfirrmann S., C. Limberg, C. Herwig, C. Knispel, B. Braun, E. Bill and R. Stoesser: A Reduced beta-Diketiminato-Ligated Ni(3)H(4) Unit Catalyzing H/D Exchange. J. Am. Chem. Soc. 132, 13684-13691 (2010)
• Nippe M., J. Wang, E. Bill, H. Hope, N. S. Dalal and J. F. Berry: Crystals in Which Some Metal Atoms are More Equal Than Others: Inequalities From Crystal Packing and Their Spectroscopic/Magnetic Consequences. J. Am. Chem. Soc. 132, 14261-14272 (2010)
• Milsmann C., S. Sproules, E. Bill, T. WeyhermÅller, S. D. George and K. Wieghardt: Stabilization of High-Valent Fe(IV)S(6)-Cores by Dithiocarbamate(1-) and 1,2-Dithiolate(2-) Ligands in Octahedral Fe(IV)(Et(2)dtc)(3-n)(mnt)(n) ((n-1)-) Complexes (n=0, 1, 2, 3): A Spectroscopic and Density Functional Theory Computational Study. Chem. -Eur. J. 16, 3628-3645 (2010)
• Hess C. R., T. WeyhermÅller, E. Bill and K. Wieghardt: Influence of the Redox Active Ligand on the Reactivity and Electronic Structure of a Series of Fe(TIM) Complexes. Inorg. Chem. 49, 5686-5700 (2010)
• Cowley R. E., N. J. DeYonker, N. A. Eckert, T. R. Cundari, S. DeBeer, E. Bill, X. Ottenwaelder, C. Flaschenriem and P. L. Holland: Three-Coordinate Terminal Imidoiron(III) Complexes: Structure, Spectroscopy, and Mechanism of Formation. Inorg. Chem. 49, 6172-6187 (2010)
• Bowman A. C., C. Milsmann, E. Bill, E. Lobkovsky, T. WeyhermÅller, K. Wieghardt and P. J. Chirik: Reduced N-Alkyl Substituted Bis(imino)pyridine Cobalt Complexes: Molecular and Electronic Structures for Compounds Varying by Three Oxidation States. Inorg. Chem. 49, 6110-6123 (2010)
• Biswas B., S. Salunke-Gawali, T. WeyhermÅller, V. Bachler, E. Bill and P. Chaudhuri: Metal-Complexes As Ligands to Generate Asymmetric Homo- and Heterodinuclear M(A)(III)M(B)(II) Species: a Magneto-Structural and Spectroscopic Comparison of Imidazole-N versus Pyridine-N. Inorg. Chem. 49, 626-641 (2010)
• Yoon J., S. A. Wilson, Y. K. Jang, M. S. Seo, K. Nehru, B. Hedman, K. O. Hodgson, E. Bill, E. I. Solomon and W. Nam: Reactive Intermediates in Oxygenation Reactions with Mononuclear Nonheme Iron Catalysts. Angew. Chem. Int. Ed. 48, 1257-1260 (2009)
• Banerjee P., A. Company, T. WeyhermÅller, E. Bill and C. R. Hess: Zn and Fe Complexes Containing a Redox Active Macrocyclic Biquinazoline Ligand. Inorg. Chem. 48, 2944-2955 (2009)
• Biswas B., T. WeyhermÅller, E. Bill and P. Chaudhuri: A Magneto-Structural Study of a Hexanuclear (V-IV=O)(6)-Complex and a Tetranuclear Mixed-Valent [(V2V2IV)-V-III] Species. Inorg. Chem. 48, 1524-1532 (2009)
• Glaser T., M. Heidemeier, E. Krickemeyer, H. Bîgge, A. Stammler, R. Frîhlich, E. Bill and J. Schnack: Exchange Interactions and Zero-Field Splittings in C-3-Symmetric (Mn6FeIII)-Fe-III: Using Molecular Recognition for the Construction of a Series of High Spin Complexes Based on the Triplesalen Ligand. Inorg. Chem. 48, 607-620 (2009)
• Hamann N., E. Bill, J. E. Shokes, R. A. Scott, M. Bennati and R. Hedderich: The CCG-domain-containing subunit SdhE of succinate:quinone oxidoreductase from Sulfolobus solfataricus P2 binds a [4Fe-4S] cluster. J. Biol. Inorg. Chem. 14, 457-470 (2009)
• Hess C. R., T. WeyhermÅller, E. Bill and K. Wieghardt: [{Fe(tim)}(2)]: An Fe-Fe Dimer Containing an Unsupported Metal-Metal Bond and Redox-Active N-4 Macrocyclic Ligands. Angew. Chem. Int. Ed. 48, 3703-3706 (2009)
• Khusniyarov M. M., T. WeyhermÅller, E. Bill and K. Wieghardt: Tuning the Oxidation Level, the Spin State, and the Degree of Electron Delocalization in Homo- and Heteroleptic Bis(alpha-diimine)iron Complexes. J. Am. Chem. Soc. 131, 1208-1221 (2009)
• Piligkos S., H. Weihe, E. Bill, F. Neese, H. El Mkami, G. M. Smith, D. Collison, G. Rajaraman, G. A. Timco, R. E. P. Winpenny and E. J. L. McInnes: EPR Spectroscopy of a Family of (Cr7MnII)-Mn-III (M = Cd, Zn, Mn, Ni) "Wheels": Studies of Isostructural Compounds with Different Spin Ground States. Chem. -Eur. J. 15, 3152-3167 (2009)
• Strautmann J. B. H., C. G. F. von Richthofen, S. D. George, E. Bothe, E. Bill and T. Glaser: Highly oxidized diiron complexes: generation, spectroscopy, and stabilities. Chem. Commun. 2637-2639 (2009)
• Wile B. M., R. J. Trovitch, S. C. Bart, A. M. Tondreau, E. Lobkovsky, C. Milsmann, E. Bill, K. Wieghardt and P. J. Chirik: Reduction Chemistry of Aryl- and Alkyl-Substituted Bis(imino)pyridine Iron Dihalide Compounds: Molecular and Electronic Structures of [(PDI)(2)Fe] Derivatives. Inorg. Chem. 48, 4190-4200 (2009)
• Cowley R. E., E. Bill, F. Neese, W. W. Brennessel and P. L. Holland: Iron(II) Complexes with Redox-Active Tetrazene (RNNNNR) Ligands. Inorg. Chem. 48, 4828-4836 (2009)
• Pantazis D. A., M. Orio, T. Petrenko, S. Zein, E. Bill, W. Lubitz, J. Messinger and F. Neese: A New Quantum Chemical Approach to the Magnetic Properties of Oligonuclear Transition-Metal Complexes: Application to a Model for the Tetranuclear Manganese Cluster of Photosystem II. Chem. -Eur. J. 15, 5108-5123 (2009)
• Cowley R. E., E. Bill, F. Neese, W. W. Brennessel and P. L. Holland: Iron(II) Complexes with Redox-Active Tetrazene (RNNNNR) Ligands. Inorg. Chem. 48, 4828-4836 (2009)
• Ding K. Y., A. W. Pierpont, W. W. Brennessel, G. Lukat-Rodgers, K. R. Rodgers, T. R. Cundari, E. Bill and P. L. Holland: Cobalt-Dinitrogen Complexes with Weakened N-N Bonds. J. Am. Chem. Soc. 131, 9471-9472 (2009)
• Antonkine M. L., M. S. Koay, B. Epel, C. Breitenstein, O. Gopta, W. GÑrtner, E. Bill and W. Lubitz: Synthesis and characterization of de novo designed peptides modelling the binding sites of [4Fe-4S] clusters in photosystem I. Biochim. Biophys. Acta 1787, 995-1008 (2009)
• Milsmann C., G. K. Patra, E. Bill, T. WeyhermÅller, S. D. George and K. Wieghardt: Octahedral Monodithiolene Complexes of Iron: Characterization of S,S '-Coordinated Dithiolate(1-) pi Radical Monoanions: A Spectroscopic and Density Functional Theoretical Investigation. Inorg. Chem. 48, 7430-7445 (2009)
• Lu C. C., T. WeyhermÅller, E. Bill and K. Wieghardt: Accessing the Different Redox States of alpha-Iminopyridines within Cobalt Complexes. Inorg. Chem. 48, 6055-6064 (2009)
• Milsmann C., E. Bothe, E. Bill, T. WeyhermÅller and K. Wieghardt: Octahedral Monodithiolene Complexes of Cobalt(III) and Chromium(III). Spectroscopic and Density Functional Theoretical Characterization of S,S '-Coordinated Benzene-1,2-dithiolate(1-) pi Radicals. Inorg. Chem. 48, 6211-6221 (2009)

Full publications list | ORCID | ResearcherID | Google Scholar Profile

Selected MPI CEC publications

• Lim, A., Tesch, M. F., Spanos, I. (2023). The power of operando analysis: Understanding the critical characteristics of OER catalysts from atomistic to systemic scales. CURRENT OPINION IN ELECTROCHEMISTRY, (39): 101272, pp. 1-10. doi:10.1016/j.coelec.2023.101272.
• Papakonstantinou, G., Spanos, I., Dam, A. P., Schlögl, R., Sundmacher, K. (2022). Electrochemical evaluation of the de-/re-activation of oxygen evolving Ir oxide. Phys. Chem. Chem. Phys., 24, 14579-14591.https://doi.org/10.1039/D2CP00828A
• Haase, F. T., Rabe, A., Schmidt, F.-P., Herzog, A., Jeon, H. S. Jeon, Frandsen, W., Narangoda, P. V., Spanos, I., Ortega, K. F., Timoshenko, J., Lunkenbein, T., Behrens, M., Bergmann, A., Schlögl, R., and Roldan Cuenya, B. (2022). Role of Nanoscale Inhomogeneities in Co₂FeO₄ Catalysts during the Oxygen Evolution Reaction. Journal of the American Chemical Society. 144 (27), 12007-12019 https://pubs.acs.org/doi/10.1021/jacs.2c00850
• Spanos, I., Masa, J., Zeradjanin, A., Schlögl, R. (2020). The Effect of Iron Impurities on Transition Metal Catalysts for the Oxygen Evolution Reaction in Alkaline Environment: Activity Mediators or Active Sites? Catalysis Letters. https://doi.org/10.1007/s10562-020-03478-4
• Ruiz Esquius, J., Algara-Siller, G., Spanos, I., Freakley, S.J., Schlögl, R., Hutchings, G.J. (2020). Preparation of Solid Solution and Layered IrO_x–Ni(OH)₂ Oxygen Evolution Catalysts: Toward Optimizing Iridium Efficiency for OER ACS Catalysis 10(24), 14640-14648. https://doi.org/10.1021/acscatal.0c03866
• Zeradjanin, A.R., Spanos, I., Masa, J., Rohwerder, M., Schlögl, R. (2020). Perspective on experimental evaluation of adsorption energies at solid/liquid interfaces Journal of Solid State Electrochemistry. https://doi.org/10.1007/s10008-020-04815-8
• Antonyshyn, I., Barrios Jiménez, A.M., Sichevych, O., Burkhardt, U., Veremchuk, I., Schmidt, M., Ormeci, A., Spanos, I., Tarasov, A., Teschner, D., Algara-Siller, G., Schlögl, R., Grin, Y. (2020). Al₂Pt for Oxygen Evolution in Water Splitting: a Strategy for Creating Multi‐functionality in Electrocatalysis Angewandte Chemie International Edition 59(38), 16770-16776. https://doi.org/10.1002/anie.202005445
• Ding, Y., Gu, Q., Klyushin, A., Huang, X., Choudhury, S.H., Spanos, I., Song, F., Mom, R., Düngen, P., Mechler, A.K., Schlögl, R., Heumann, S. (2020). Dynamic carbon surface chemistry: revealing the role of carbon in electrolytic water oxidation Journal of Energy Chemistry 47, 155-159. https://doi.org/10.1016/j.jechem.2019.12.006
• Ruiz Esquius, J., Morgan, D.J., Spanos, I., Hewes, D.G., Freakley, S.J., Hutchings, G.J. (2020). The effect of Base on the Facile Hydrothermal Preparation of Highly Active IrO_x Oxygen Evolution Catalysts ACS Applied Energy Materials 3(1), 800-809. https://doi.org/10.1021/acsaem.9b01642
• Spanos, I., Tesch, M.F., Yu, M., Tüysüz, H., Zhang, J., Feng, X., Müllen, K., Schlögl, R., Mechler, A.K. (2019). Facile protocol for alkaline electrolyte purification and its influence on a Ni-Co oxide catalyst for the oxygen evolution reaction ACS Catalysis 9(9), 8165-8170. https://doi.org/10.1021/acscatal.9b01940
• Rodenas, T., Beeg, S., Spanos, I., Neugebauer, S., Girgsdies, F., Algara-Siller, G., Schleker, P.P.M., Jakes, P., Pfänder, N., Willinger, M., Greiner, M., Prieto, G., Schlögl, R., Heumann, S. (2018). 2D Metal Organic Framework-Graphitic Carbon Nanocomposites as Precursors for High-Performance O₂-Evolution Electrocatalysts Advanced Energy Materials 8(35), 1802404. https://doi.org/10.1002/aenm.201802404
• Spanos, I., Neugebauer, S., Guterman, R., Yuan, J., Schlögl, R., Antonietti, M. (2018). Poly(ionic liquid) Binders as Ion conductors and Polymer Electrolyte Interface for Enhanced Electrochemical Performance of Water Splitting Electrodes Sustainable Energy & Fuels 2(7), 1446-1451. https://doi.org/10.1039/C8SE00110C
• Düngen, P., Greiner, M., Böhm, K.H., Spanos, I., Huang, X., Auer, A.A., Schlögl, R., Heumann, S. (2018). Atomically dispersed vanadium oxides on multiwalled carbon nanotubes via atomic layer deposition: A multiparameter optimization Journal of Vacuum Science & Technology A 36(1), 01A126. https://doi.org/10.1116/1.5006783
• Spanos, I., Auer, A.A., Neugebauer, S., Deng, X.H., Tüysüz, H., Schlögl, R. (2017). Standardized Benchmarking of Water Splitting Catalysts in a Combined Electrochemical Flow Cell/Inductively Coupled Plasma-Optical Emission Spectrometry (ICP-OES) Setup ACS Catalysis 7(6), 3768-3778. https://doi.org/10.1021/acscatal.7b00632
• Auer A.A., Cap S., Antonietti M., Cherevko S., Deng X., Papakonstantinou G., Sundmacher K., Brüller S., Antonyshyn I., Dimitratos N., Davis R.J., Böhm K.-H., Fechler N., Freakley S., Grin Y., Gunnoe B.T., Haj-Hariri H., Hutchings G., Liang H., Mayrhofer K.J.J., Müllen K., Neese F., Ranjan C., Sankar M., Schlögl R., Schüth F., Spanos I., Stratmann M., Tüysüz H., Vidakovic-Koch T., Yi Y., Zangari G. (2016). MAXNET Energy - Focusing Research in Chemical Energy Conversion on the Electrocatlytic Oxygen Evolution Green 5(1-6), 7-21. http://doi.org/10.1515/green-2015-0021

Full publications list | ORCID | ResearcherID | Google Scholar Profile | Scopus Author ID

Selected MPI CEC publications

• Hetaba, W., Imlau, R., Duarte-Correa, L., Lamoth, M., Kujawa, S., & Lunkenbein, T. (2021). ChemiTEM – Transmission Electron Microscopy Optimized for Chemistry and Material Science. Chemistry–Methods, 1(9), 401-407. https://doi.org/10.1002/cmtd.202100001
• Lin, S.-H., Hetaba, W., Chaudret, B., Leitner, W.,  Bordet, A. (2022). Copper-Decorated Iron Carbide Nanoparticles Heated by Magnetic Induction as Adaptive Multifunctional Catalysts for the Selective Hydrodeoxygenation of Aldehydes. Advanced Energy Materials,12(42) 2201783, pp. 1-10. doi:10.1002/aenm.202201783.
• Löffler, S., Stöger-Pollach, M., Steiger-Thirsfeld, A., Hetaba, W., Schattschneider, P. (2021). Exploiting the Acceleration Voltage Dependence of EMCD. Materials, 14(5): 1314, pp. 1-14. doi:10.3390/ma14051314.
• Gioria, E., Duarte-Correa, L., Bashiri, N., Hetaba, W., Schomaeker, R., Thomas, A. (2021). Rational design of tandem catalysts using a core-shell structure approach. Nanoscale Advances, 3(12), 3454-3459. doi:10.1039/d1na00310k.
• Masliuk, L., Schmidt, F.-P., Hetaba, W., Plodinec, M., Auffermann, G., Hermann, K., Teschner, D., Girgsdies, F., Trunschke, A., Schlögl, R., Lunkenbein, T. (2020). Compositional Decoupling of Bulk and Surface in Open-Structured Complex Mixed Oxides The Journal of Physical Chemistry C 124(42), 21069-23077. https://doi.org/10.1021/acs.jpcc.0c04777
• Hetaba, W., Klyushin, A.Y., Falling, L.J., Shin, D., Mechler, A.K., Willinger, M.-G., Schlögl, R. (2020). Investigation of Electrocatalysts Produced by a Novel Thermal Spray Deposition Method Materials 13(12), 2746. https://doi.org/10.3390/ma13122746
• Koch, G., Hävecker, M., Teschner, D., Carey, S.J., Wang, Y., Kube, P., Hetaba, W., Lunkenbein, T., Auffermann, G., Timpe, O., Rosowski, F., Schlögl, R., Trunschke, A. (2020). Surface Conditions that Constrain Alkane Oxidation on Perovskites ACS Catalysis 10(13), 7007-7020. https://doi.org/10.1021/acscatal.0c01289
• Wolf, E.H., Millet, M.-M., Seitz, F., Redeker, F.A., Riedel, W., Scholz, G., Hetaba, W., Teschner, D., Wrabetz, S., Girgsdies, F., Klyushin, A., Risse, T., Riedel, S., Frei, E. (2020). F-doping of nanostructured ZnO: A way to modify structural, electronic, and surface properties Physical Chemistry Chemical Physics 22(20), 11273-11285. https://doi.org/10.1039/D0CP00545B
• El Sayed, S., Bordet, A., Weidenthaler, C., Hetaba, W., Luska, K., Leitner, W. (2020) Selective Hydrogenation of Benzofurans using Lewis Acid Modified Ruthenium-SILP Catalysts ACS Catalysis 10(3), 2124-2130. https://doi.org/10.1021/acscatal.9b05124
• Häusler, I., Kamachali, R.D., Hetaba, W., Skrotzki, B. (2019). Thickening of T1 Precipitates during Aging of a High Purity Al–4Cu–1Li–0.25Mn Alloy Materials 12(1), 30. https://doi.org/10.3390/ma12010030
• Straten, J.W., Schlecker., P., Krasowska, M., Veroutis, E., Granwehr, J., Auer, A.A., Hetaba, W., Becker, S., Schlögl, R., Heumann, S. (2018). N-Funtionalized Hydrothermal Carbon Materials using Urotropine as N-Precursor Chemistry - A European Journal 24(47), 12298-12317. https://doi.org/10.1002/chem.201800341
• Anke, B., Rohloff, M., Willinger, M.G., Hetaba, W., Fischer, A., Lerch, M. (2017). Improved photoelectrochemical performance of bismuth vanadate by partial O/F-substitution Solid State Sciences 63, 1-8. https://doi.org/10.1016/j.solidstatesciences.2016.11.004
• Häusler, I., Schwarze, C., Bilal, M.U., Ramirez, D.V., Hetaba, W., Kamachali, R.D., Skrotzki, B. (2017). Precipitation of T1 and θ′ Phase in Al-4Cu-1Li-0.25Mn During Age Hardening: Microstructural Investigation and Phase-Field Simulation Materials 10(2), 117. https://doi.org/10.3390/ma10020117
• Rudi, S., Teschner, D., Beermann, V., Hetaba, W., Can, L., Cui, C., Gliech, M., Schlögl, R., Strasser, P. (2017). pH-Induced versus Oxygen-Induced Surface Enrichment and Segregation Effects in Pt Ni Alloy Nanoparticle Fuel Cell Catalysts ACS Catalysis 7(9), 6376-6384. https://doi.org/10.1021/acscatal.7b00996
• Hetaba, W., Stöger-Pollach, M. (2016). EMCD investigation of the Verwey‐transition in magnetite European Microscopy Congress 2016: Proceedings 1086-1087. https://doi.org/10.1002/9783527808465.EMC2016.6656

• Mato, M., Bruzzese, P. C., Takahashi, F., Leutzsch, M., Reijerse, E. J., Schnegg, A.,  Cornella, J. (2023). Oxidative Addition of Aryl Electrophiles into a Red-Light-Active Bismuthinidene. Journal of the American Chemical Society, 145(34), 18742-18747. doi:10.1021/jacs.3c06651.
• Schiller, C., Sieh, D., Lindenmaier, N., Stephan, M., Junker, N., Reijerse, E. J., Granovsky, A. A., Burger, P. (2023). Cleavage of an Aromatic C-C Bond in Ferrocene by Insertion of an Iridium Nitrido Nitrogen Atom. Journal of the American Chemical Society, 145(20), 11392-11401. doi:10.1021/jacs.3c02781.
• Mato, M., Spinnato, D., Leutzsch, M., Moon, H. W., Reijerse, E. J., Cornella, J. (2023). Bismuth radical catalysis in the activation and coupling of redox-active electrophiles. NATURE CHEMISTRY, (XX), XX-XX. doi:10.1038/s41557-023-01229-7.
• Chongdar, N., Rodriguez-Macia, P., Reijerse, E. J., Lubitz, W., Ogata, H., Birrell, J. A. (2023). Redox tuning of the H-cluster by second coordination sphere amino acids in the sensory [FeFe] hydrogenase from Thermotoga maritima. Chemical Science, (14), 3682-3692. doi:10.1039/d2sc06432d.
• Yang, X., Reijerse, E. J., Nöthling, N., SantaLucia, D., Leutzsch, M., Schnegg, A., Cornellà, J. (2023). Synthesis, Isolation, and Characterization of Two Cationic Organobismuth(II) Pincer Complexes Relevant in Radical Redox Chemistry. Journal of the American Chemical Society, (145), 5618_5623. doi:10.1021/jacs.2c12564.
• Sharma, M. K., Chabbra, S., Wölper, C., Weinert, H. M., Reijerse, E. J., Schnegg, A.,  Schulz, S. (2022). Modulating the frontier orbitals of L(X)Ga-substituted diphosphenes [L(X)GaP](2) (X = Cl, Br) and their facile oxidation to radical cations. Chemical Science, 13(43), 12643-12650. doi:10.1039/d2sc04207j.
• Yang, X., Reijerse, E. J., Bhattacharyya, K., Leutzsch, M., Kochius, M., Nöthling, N., Busch, J., Schnegg, A., Auer, A. A., Cornella, J. (2022). Radical Activation of N-H and O-H Bonds at Bismuth(II). Journal of the American Chemical Society, (144), 16535-16544. doi:10.1021/jacs.2c05882.
• Sanchez, M. L. K., Wiley, S., Reijerse, E. J., Lubitz, W., Birrell, J. A., Dyer, R. B. (2022). Time-Resolved Infrared Spectroscopy Reveals the pH-Independence of the First Electron Transfer Step in the [FeFe] Hydrogenase Catalytic Cycle. The Journal of Physical Chemistry Letters, 13(25), 5986-5990. doi:10.1021/acs.jpclett.2c01467.
• e Vaillant, F., Calbet, A. M., Gonzalez-Pelayo, S., Reijerse, E. J., Ni, S., Busch, J., Cornella, J. (2022). Catalytic synthesis of phenols with nitrous oxide. Nature, (604), 677-685. doi:10.1038/s41586-022-04516-4.
• Pelmenschikov, V., Birrell, J. A., Gee, L. B., Richers, C. P., Reijerse, E. J., Wang, H., Arragain, S.; Mishra, N.; Yoda, Y.; Matsuura, H .;Li, L .; Tamasaku, K.; Rauchfuss, T. B.; Lubitz, W., Cramer, S. P. (2021). Vibrational Perturbation of the [FeFe] Hydrogenase H-Cluster Revealed by (CH)-C-13-H-2-ADT Labeling. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 143(22), 8237-8243. doi:10.1021/jacs.1c02323.
• Caserta, G., et al., Engineering an [FeFe]-Hydrogenase: Do Accessory Clusters Influence O2 Resistance and Catalytic Bias? J Am Chem Soc, 2018. 140(16): p. 5516-5526.
• Chongdar, N., et al., Unique Spectroscopic Properties of the H-Cluster in a Putative Sensory FeFe Hydrogenase. Journal of the American Chemical Society, 2018. 140(3): p. 1057-1068.
• Dayan, N., et al., Advanced surface resonators for electron spin resonance of single microcrystals. Review of Scientific Instruments, 2018. 89(12).
• Kinauer, M., et al., An iridium(iii/iv/v) redox series featuring a terminal imido complex with triplet ground state. Chemical Science, 2018.
• Reijerse, E.J., et al., Direct Detection of the Terminal Hydride Intermediate in [FeFe] Hydrogenase by NMR Spectroscopy. Angew Chem Int Ed Engl, 2018. 140(11): p. 3863-3866.
• Rodriguez-Macia, P., et al., Sulfide Protects FeFe Hydrogenases From O-2. Journal of the American Chemical Society, 2018. 140(30): p. 9346-9350.
• Rumpel, S., et al., H-1 NMR Spectroscopy of FeFe Hydrogenase: Insight into the Electronic Structure of the Active Site. Journal of the American Chemical Society, 2018. 140(1): p. 131-134.
• Saric, I., et al., Impact of disorder on formation of free radicals by gamma-irradiation: Multi-frequency EPR studies of trehalose polymorphs. Journal of Physics and Chemistry of Solids, 2018. 123: p. 124-132.
• Sommer, C., et al., A [RuRu] Analogue of an [FeFe]-Hydrogenase Traps the Key Hydride Intermediate of the Catalytic Cycle. Angew Chem Int Ed Engl, 2018. 57(19): p. 5429-5432.
• Sommer, C., et al., Spectroscopic investigations of a semi-synthetic [FeFe] hydrogenase with propane di-selenol as bridging ligand in the binuclear subsite: comparison to the wild type and propane di-thiol variants. J Biol Inorg Chem, 2018.
• Lukina, E.A., et al., Spin-dependent recombination of the charge-transfer state in photovoltaic polymer/fullerene blends. Molecular Physics, 2019. 117(19): p. 2654-2663.
• Papini, C., et al., Bioinspired Artificial FeFe -Hydrogenase with a Synthetic H-Cluster. Acs Catalysis, 2019. 9(5): p. 4495-4501.
• Reijerse, E., et al., Asymmetry in the Ligand Coordination Sphere of the [FeFe] Hydrogenase Active Site Is Reflected in the Magnetic Spin Interactions of the Aza-Propanedithiolate Ligand. The Journal of Physical Chemistry Letters, 2019.
• Sanchez, M.L.K., et al., Investigating the Kinetic Competency of CrHydA1 [FeFe] Hydrogenase Intermediate States via Time-Resolved Infrared Spectroscopy. Journal of the American Chemical Society, 2019. 141(40): p. 16064-16070.
• Sidabras, J.W., et al., Extending electron paramagnetic resonance to nanoliter volume protein single crystals using a self-resonant microhelix. Science Advances, 2019. 5(10): p. eaay1394.
• Stegmaier, K., et al., Apdl and Aim32 Are Prototypes of Bishistidinyl-Coordinated Non-Rieske 2Fe-2S Proteins. Journal of the American Chemical Society, 2019. 141(14): p. 5753-5765.
• Chongdar, N., et al., Spectroscopic and biochemical insight into an electron-bifurcating FeFe hydrogenase. Journal of Biological Inorganic Chemistry, 2020. 25(1): p. 135-149.
• Le Vaillant, F., et al., Dialkyl Ether Formation at High-Valent Nickel. J Am Chem Soc, 2020. 142(46): p. 19540-19550.
• Ma, Y.H., et al., Radical C-N Borylation of Aromatic Amines Enabled by a Pyrylium Reagent. Chemistry-a European Journal, 2020. 26(17): p. 3738-3743.
• Massmig, M., et al., Carnitine metabolism in the human gut: characterization of the two-component carnitine monooxygenase CntAB fromAcinetobacter baumannii. Journal of Biological Chemistry, 2020. 295(37): p. 13065-13078.
• Reijerse, E., J.A. Birrell, and W. Lubitz, Spin Polarization Reveals the Coordination Geometry of the FeFe Hydrogenase Active Site in Its CO-Inhibited State. Journal of Physical Chemistry Letters, 2020. 11(12): p. 4597-4602.
• Sanchez, M.L.K., et al., The Laser-Induced Potential Jump: A Method for Rapid Electron Injection into Oxidoreductase Enzymes. Journal of Physical Chemistry B, 2020. 124(40): p. 8750-8760.

Full publications list​​​​​​​ | ORCID | Researcher ID / Publons

• Silva, I. d. A., Bartalucci, E., Bolm, C.,  Wiegand, T. (2023). Opportunities and Challenges in Applying Solid-State NMR Spectroscopy in Organic Mechanochemistry. ADVANCED MATERIALS. doi:10.1002/adma.202304092.
• Sodreau, A., Zahedi, H. G., Dervisoglu, R., Kang, L., Menten, J., Zenner, J., Terefenko, N., DeBeer, S., Wiegand, T., Bordet, A.,  Leitner, W. (2023). A Simple and Versatile Approach for the Low-Temperature Synthesis of Transition Metal Phosphide Nanoparticles from Metal Chloride Complexes and P(SiMe₃)₃. ADVANCED MATERIALS. 2306621 (1-9) doi:10.1002/adma.202306621.
• Rout, S. K., Cadalbert, R., Schröder, N., Wang, J., Zehnder, J., Gampp, O., Wiegand, T., Güntert, P., Klingler, D., Kreutz, C., Knörlein, A., Hall, J., Greenwald, J.,  Riek, R. (2023). An Analysis of Nucleotide-Amyloid Interactions Reveals Selective Binding to Codon-Sized RNA. Journal of the American Chemical Society, 145(40), 21915-21924. doi:10.1021/jacs.3c06287.
• Callon, M., Luder, D., Malär, A. A., Wiegand, T., Rimal, V., Lecoq, L., Böckmann, A., Samoson, A.,  Meier, B. H. (2023). High and fast: NMR protein-proton side-chain assignments at 160 kHz and 1.2 GHz. CHEMICAL SCIENCE, 14(39), 10824-10834. doi:10.1039/d3sc03539e.
• Zhang, Y., El Sayed, S., Kang, L., Sanger, M., Wiegand, T., Jessop, P. G., DeBeer, S., Bordet, A., Leitner, W. (2023). Adaptive Catalysts for the Selective Hydrogenation of Bicyclic Heteroaromatics using Ruthenium Nanoparticles on a CO₂-Responsive Support. Angewandte Chemie, International Edition in English, (XX): e202311427, pp. x-xx. doi:10.1002/anie.202311427.
• Pfister, S., Rabl, J., Wiegand, T., Mattei, S., Malaer, A. A., Lecoq, L., Seitz, S., Bartenschlager, R., Boeckmann, A., Nassal, M., Boehringer, D., Meier, B. H. (2023). Structural conservation of HBV-like capsid proteins over hundreds of millions of years despite the shift from non-enveloped to enveloped life-style. Nature Communications, (14): 1574, pp. 1-15. doi:10.1038/s41467-023-37068-w.
• Lipinski, W. P. P., Zehnder, J., Abbas, M., Güntert, P., Spruijt, E., Wiegand, T. (2023). Fibrils Emerging from Droplets: Molecular Guiding Principles behind Phase Transitions of a Short Peptide-Based Condensate Studied by Solid-State NMR. Chemistry – A European Journal,(29) e202301159, pp. 1-11. doi:10.1002/chem.202301159.
• Bartalucci, E., Malär, A. A. A., Mehnert, A., Büning, J. B. K. B., Günzel, L., Icker, M., Börner, M., Wiebeler, C., Meier, B. H. H., Grimme, S., Kersting, B.,  Wiegand, T. (2023). Probing a Hydrogen-pi Interaction Involving a Trapped Water Molecule in the Solid State. Angewandte Chemie, International Edition in English, (62), 1-10,e2022177 . doi:10.1002/anie.202217725.
• Bartalucci, E., Luder, D. J., Terefenko, N., Malär, A. A., Bolm, C., Ernst, M., Wiegand, T. (2023). The effect of methyl group rotation on H-1-H-1 solid-state NMR spin-diffusion spectra. Physical Chemistry Chemical Physics, (25), 19501-19511. doi:10.1039/d3cp02323k.
• Bartalucci, E., Schumacher, C., Hendrickx, L., Puccetti, F., d'Anciaes Almeida Silva, I., Dervisoglu, R., Puttreddy, R., Bolm, C., Wiegand, T. (2023). Disentangling the Effect of Pressure and Mixing on a Mechanochemical Bromination Reaction by Solid-State NMR Spectroscopy. Chemistry – A European Journal, e202203466, pp. 1-12. doi:10.1002/chem.202203466.
• Lacabanne, D., Wiegand, T., Di Cesare, M., Orelle, C., Ernst, M., Jault, J.-M., Meier, B. H., Boeckmann, A. (2022). Solid-State NMR Reveals Asymmetric ATP Hydrolysis in the Multidrug ABC Transporter BmrA. Journal of the American Chemical Society, 144(27), 12431-12442. doi:10.1021/jacs.2c04287.
• Malär, A. A., Sun, Q., Zehnder, J., Kehr, G., Erker, G.,  Wiegand, T. (2022). Proton-phosphorous connectivities revealed by high-resolution proton-detected solid-state NMR. Physical Chemistry Chemical Physics, 24(13), 7768-7778. doi:10.1039/d2cp00616b.
• Zehnder, J.; Cadalbert, R.; Yulikov, M.; Künze, G.; Wiegand, T. (2021) Paramagnetic spin labeling of a bacterial DnaB helicase for solid-state NMR, J. Magn. Reson., 332, 107075, DOI:10.1016/j.jmr.2021.107075
• Malär, A.A., Wili, N., Völker, L.A., Kozlova, M.I., Cadalbert, R., Däpp, A., Weber, M. E., Zehnder, J. ,  Jeschke, G. , Eckert, H. , Böckmann, A. , Klose, D. , Mulkidjanian, A.Y., Meier, B.H. , Wiegand, T. (2021) Spectroscopic glimpses of the transition state of ATP hydrolysis trapped in a bacterial DnaB helicase, Nat. Commun., 12, 5293 doi.org/10.1038/s41467-021-25599-z
• Chávez, M., Wiegand, T., Malär, A. A., Meier, B. H. , Ernst, M.(2021) Residual Linewidth in Magic-Angle Spinning Proton Solid-State NMR, Magnetic Resonance, 2, 499-509. doi.org/10.5194/mr-2-499-2021
• Callon, M., Malär, A.A., Pfister, S., Rimal, V., Weber, M. E., Wiegand, T., Zehnder, J., Chavez, M., Deb, R., Däpp, A., Cadalbert, R., Fogeron, M.-L., Zyla, D., Hunkeler, A., Lecoq, L., Torosyan, A., Wang, S., Jonas, S., Glockshuber, R., Ernst, M., Böckmann, A., Meier, B.H. (2021) Biomolecular solid-state NMR spectroscopy at 1200 MHz: the gain in resolution, J. Biomol. NMR, 75, 255-272. doi.org/10.1007/s10858-021-00373-x
• Malär, A.A,, Völker, L.A.,Cadalbert, R.,  Ernst, M., Böckmann,A, Meier,B.H., Wiegand,T. (2021) Temperature-dependent solid-state NMR proton chemical-shift values and hydrogen bonding, J. Phys. Chem. B, 2021, 125, 6222-6230 doi/pdf/10.1021/acs.jpcb.1c04061
• Zehnder, J., Cadalbert, R., Terradot, L., Ernst, M., Böckmann, A., Güntert, P., Meier, B.H., Wiegand, T. (2021) Paramagnetic solid-state NMR to localize the metal-ion cofactor in an oligomeric DnaB helicase, Chemistry 27, 7745-7755 doi.org/10.1002/chem.202100462
• Lecoq, L., Wang, S., Dujardin, M., Zimmermann, P., Schuster, L., Fogeron, M.-L, Briday, M., Schledorn, M., Wiegand, T., Cole, A.L, Montserrat, R., Bressanelli, S., Meier, B.H., Nassal, M., Böckmann A. (2021) A pocket-factor-triggered conformational switch in the hepatitis B virus capsid, PNAS, 118, e2022464118. doi.org/10.1073/pnas.2022464118
• Kumari, P. , Gosh, D. , Vanas, A. ,. Fleischmann, Y, Wiegand, T. , Jeschke, G. , Riek, R. Eichmann, C.(2021) Structural Insights into α-Synuclein Monomer-Fibril Interactions, PNAS, 118, e2012171118. doi: 10.1073/pnas.2012171118
• Lacabanne, D.; Boudet, J.; Malär, A. A. ; Wu, P. ; Cadalbert, R. ; Salmon, L.; Allain, F. H.-T. ; Meier, B. H.; Wiegand, T. (2020) Protein side-chain-DNA contacts probed by fast magic-angle spinning NMR. J. Phys. Chem. B (124) 11089-11097 doi.org/10.1021/acs.jpcb.0c08150
• Wiegand, T.; Malär, A. A.; Cadalbert, R.; Ernst, M.; Böckmann, A.; Meier, B.H. (2020) Asparagine and glutamine side-chains and ladders in HET-s(218-289) amyloid fibrils studied by fast magic-angle spinning NMR. Frontiers Mol. Biosc.(7) 582033 doi.org/10.3389/fmolb.2020.582033
• Wiegand, T.; Lacabanne, D.; Torosyan, A.; Boudet, J.; Cadalbert, R.; Allain, F. H.-T. ; Meier, B. H.; Böckmann, A. (2020) Sedimentation yields long-term stable protein samples as shown by solid-state NMR. Frontiers Mol. Biosc. (7) 17 DOI: 10.3389/fmolb.2020.00017
• Wiegand, T.; Schledorn, M.; Malär, A. A. R. Cadalbert, R.; Däpp, A.; Terradot, L.; Meier, B. H.; Böckmann, A. (2020)  Nucleotide binding modes in a motor protein revealed by ³¹P- and ¹H-detected MAS solid-state NMR . ChemBioChem (21) 324-330  DOI: 10.1002/cbic.201900439
• Torosyan, A; , Wiegand.T ; Schledorn, M.; Klose, D.; Güntert, P.; Böckmann, A.; Meier, B. H. (2019) Including protons in solid-state NMR resonance assignment and secondary structure analysis: The example of RNA polymerase II subunits Rpo4/7. Frontiers Mol. Biosc. (6) 100. doi.org/10.3389/fmolb.2019.00100
• Malär, A. A.; Smith-Penzel, S.; Camenisch, G.-M. ; Wiegand, T.; Samoson, A.; Böckmann, A.; Ernst, M.; Meier, B. H. (2019) Quantifying NMR Coherent Proton Linewidth in Proteins Under Fast MAS Conditions: A Second Moment Approach, PhysChemChemPhys (21) 18850-18865 doi: 10.1039/c9cp03414e
• Lacabanne, D.; Orelle, C.; Lecoq, L.; Kunert, B. ; Chuilon, C. ; Wiegand, T.; Ravaud, S.; Jault, J.-M. ; Meier, B. H.; Böckmann, A. (2019) Flexible-to-rigid transition is central for substrate transport in the ABC transporter BmrA from Bacillus subtilis, Commun. Biol. (2) 1-9 doi.org/10.1038/s42003-019-0390-x |
• Malär, A. A.; Dong, S.; Kehr, G.; Erker, G.; Meier, B. H.; Wiegand T. (2019) Characterization of H2-splitting products of Frustrated Lewis Pairs: Benefit of fast magic-angle spinning. ChemPhysChem, (20) 672-679 doi.org/10.1002/cphc.201900006
• Wiegand T. ; Cadalbert, R.; Lacabanne, D.;  Timmins, J. ; Terradot, L. ; Böckmann, A.; Meier, B. H. (2019) The conformational changes coupling ATP hydrolysis and translocation in a bacterial DnaB helicase. Nat. Commun. (10) 31 doi:10.1038/s41467-018-07968-3
• Boudet, J.; Devillier, J.-C. ; Wiegand T.; Salmon, L.; Meier, B. H.; Lipps, G.; Allain, F. H.-T. (2019) A small helical bundle prepares primer synthesis by binding two ATP nucleotides that enhance sequence-specific recognition of the DNA template. Cell, (176) 154-166. doi.org/10.1016/j.cell.2018.11.031

Full publications list | ORCID

Selected MPI CEC publications

• Keilwerth, M., Mao, W., Venturinelli Jannuzzi, S. A., Grunwald, L., Heinemann, F. W., Scheurer, A., et al. (2023). From Divalent to Pentavalent Iron Imido Complexes and an Fe(V) Nitride via N-C Bond Cleavage. Journal of the American Chemical Society, (145), 873-887. doi:10.1021/jacs.2c09072.
• W. Mao, D. Fehn, F.W. Heinemann, A. Scheurer, M. van Gastel, S.A.Venturinelli Jannuzzi, S. DeBeer, D. Munz and K. Meyer. “Umpolung in a Pair of Cobalt(III) Terminal Imido/Imidyl Complexes”. Angewandte Chemie International Edition (2022) 61, e202206848. https://doi.org/10.1002/anie.202206848
• C Souilah, SAV Jannuzzi, D Demirbas, S Ivlev, M Swart, S DeBeer and A Casitas. “Synthesis of Fe(III) and Fe(IV) Cyanide Complexes Using Hypervalent Iodine Reagents as Cyano-Transfer One-Electron Oxidants”. Angewandte Chemie International Edition (2022), 61.22, e202201699. https://doi.org/10.1002/anie.202201699
• I Gerz, SAV Jannuzzi, KT Hylland, C Negri, DS Wragg, S Øien-Ødegaard, M Tilset, U Olsbye, S DeBeer and M Amedjkouh. “Structural Elucidation, Aggregation and Dynamic Behaviour of N,N,N,N-Copper(I) Schiff Base Complexes in Solid and in Solution: a Combined NMR, X-ray Spectroscopic and Crystallographic Investigation”. European Journal of Inorganic Chemistry (2021), 46, 4762–4775. https://doi.org/10.1002/ejic.20210072

Full publications list | Google Scholar

Selected publications

# - equal contribution

• Sengupta, K.*, Joyce, J. P., Decamps, L., Kang, L. Q., Björnsson, R., Rüdiger, O.*, DeBeer, S.* (2025). Investigating the Molybdenum Nitrogenase Mechanistic Cycle Using Spectroelectrochemistry. Journal of the American Chemical Society.https://pubs.acs.org/doi/full/10.1021/jacs.4c16047
• Chakraborty, U. K. ^#, Park, Y. ^#, Sengupta, K., Jung, W., Joshi, C. P., Francis, D. H., Chen, P.* (2024). A ‘through-DNA’mechanism for co-regulation of metal uptake and efflux. Nature Communications 15(1), 1-11. https://www.nature.com/articles/s41467-024-55017-z
• Wahl, I. M., Sengupta, K., van Gastel, M., Decamps, L., DeBeer, S.* (2024). Understanding the P-Cluster of Vanadium Nitrogenase: an EPR and XAS Study of the Holo vs. Apo Forms of the Enzyme. ChemBioChem. e202400833. https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/cbic.202400833
• Ahmed, M. E., Chattopadhyay, S., Chatterjee, S. and Sengupta, K. (2022). Oxygen reduction reaction in enzymatic biofuel cells. Oxygen Reduction Reaction, Elsevier: 427-466. (Book chapter) https://www.sciencedirect.com/science/article/pii/B9780323885089000082
• Fu, B.^#, Sengupta, K.^#, Genova, L. A.^#, Santiago, A. G., Jung, W., Krzemiński, Ł., Chakraborty, U. K., Zhang, W., Chen, P.* (2020). Metal-induced sensor mobilization turns on affinity to activate regulator for metal detoxification in live bacteria. Proceedings of the National Academy of Sciences 117(24), 13248-13255. https://www.pnas.org/doi/abs/10.1073/pnas.1919816117.
• Sengupta, K., Chatterjee, S. and Dey, A.* (2016). In Situ Mechanistic Investigation of O₂ Reduction by Iron Porphyrin Electrocatalysts Using Surface-Enhanced Resonance Raman Spectroscopy Coupled to Rotating Disk Electrode (SERRS-RDE) Setup. ACS Catalysis 6(10), 6838-6852. https://pubs.acs.org/doi/full/10.1021/acscatal.6b01122
• Sengupta, K., Chatterjee, S., Samanta, S., Bandyopadhyay, S., Dey, A.* (2013). Resonance Raman and electrocatalytic behavior of thiolate and imidazole bound iron porphyrin complexes on self-assembled monolayers: Functional modeling of cytochrome P450. Inorganic chemistry 52(4), 2000-2014. https://pubs.acs.org/doi/full/10.1021/ic302369v
• Sengupta, K., Chatterjee, S., Samanta, S., Dey, A.* (2013). Direct observation of intermediates formed during steady-state electrocatalytic O₂ reduction by iron porphyrins. Proceedings of the National Academy of Sciences 110(21), 8431-8436. https://www.pnas.org/doi/abs/10.1073/pnas.1300808110
• Pramanik, D.^#, Sengupta, K.^#, Mukherjee, S., Dey, S. G.*, Dey, A.* (2012). Self-assembled monolayers of Aβ peptides on Au electrodes: an artificial platform for probing the reactivity of redox active metals and cofactors relevant to Alzheimer’s disease. Journal of the American Chemical Society 134(29), 12180-12189. https://pubs.acs.org/doi/full/10.1021/ja303930f

Full publications list | ORCID

Selected publications

• Wählisch, A., Wansleben, M., Weser, J., Stadelhoff, C., Holfelder, I., Kayser, Y. R., Beckhoff, B. (2023). Experimental determination of differential scattering coefficients for nickel by means of linearly polarized x-ray radiation (vol 60, 035001, 2023). Metrologia, 60(5): 059501, pp. 1-2. doi:10.1088/1681-7575/acee05.
• Hönicke, P., Kayser, Y. R., Soltwisch, V., Waehlish, A., Wauschkuhn, N., Scheerder, J. E., Fleischmann, C., Bogdanowicz, J., Charley, A.-L., Veloso, A., Loo, R., Mertens, H., Hikavyy, A., Siefke, T., Andrle, A., Gwalt, G., Siewert, F., Ciesielski, R., Beckhoff, B. (2023). Small target compatible dimensional and analytical metrology for semiconductor nanostructures using X-ray fluorescence techniques. In METROLOGY, INSPECTION, AND PROCESS CONTROL XXXVII. doi:10.1117/12.2657963.
• Wählisch, A., Wansleben, M., Weser, J., Stadelhoff, C., Holfelder, I., Kayser, Y. R., Beckhoff, B. (2023). Experimental determination of differential scattering coefficients for nickel by means of linearly polarized x-ray radiation. Metrologia, 60(3): 035001, pp. 1-13. doi:10.1088/1681-7575/acca87.
• Wach, A., Zou, X., Wojtaszek, K., Kayser, Y. R., Garlisi, C., Palmisano, G., Sa, J., Szlachetko, J. (2023). Towards understanding the TiO2 doping at the surface and bulk. X-Ray Spectrometry, (xx), 1-8. doi:10.1002/xrs.3363.

Full list of publications

• de Luna, G. S., Zeller, P., Oeztuna, E., Maluta, F., Canciani, A., Ospitali, F., Ho, P. H., Paglianti, A., Knop-Gericke, A., Fornasari, G., Velasco-Velez, J.,  Benito, P. (2023). In Situ Development of a 3D Cu-CeO₂ Catalyst Selective in the Electrocatalytic Hydrogenation of Biomass Furanic Compounds. ACS Catalysis, 13(19), 12737-12745. doi:10.1021/acscatal.3c03363.
• Blume, R., Calvet, W., Ghafari, A., Mayer, T., Knop-Gericke, A.,  Schögl, R. (2023). Structural and Chemical Properties of NiOx Thin Films: Oxygen Vacancy Formation in O-2 Atmosphere. ChemPhysChem, e202300231, pp. 1-11. doi:10.1002/cphc.202300231.
• Bude, R., Verschueren, I., Florea, I., Maurice, J.-L., Legagneux, P., Pereira, L. M. C., Bana, H., Villarreal, R., Blume, R., Knop-Gericke, A., Jones, T.,  Pribat, D. (2023). Synthesis of Few-Layered Transition-Metal Dichalcogenides by Ion Implantation of Chalcogen and Metal Species into Sapphire. ACS Omega, 8(32), 29475-29484. doi:10.1021/acsomega.3c03179.
• Mom, R. V., Sandoval-Diaz, L.-E., Gao, D., Chuang, C.-H., Carbonio, E. A., Jones, T. E., Arrigo, R., Ivanov, D., Hävecker, M., Roldan Cuenya, B., Schlögl, R., Lunkenbein, T., Knop-Gericke, A.,Velasco Vélez, J. (2023). Assessment of the Degradation Mechanisms of Cu Electrodes during the CO2 Reduction Reaction. ACS Applied Materials and Interfaces, (15), 30052-30059. doi:10.1021/acsami.2c23007.
• Gianolio, D., Higham, M. D., Quesne, M. G., Aramini, M., Xu, R., Large, A. I., Held, G., Velasco Vélez, J., Hävecker, M., Knop-Gericke, A., Genovese, C., Ampelli, C., Schuster, M. E., Perathoner, S., Centi, G., Catlow, C. R. A., Arrigo, R. (2023). Interfacial Chemistry in the Electrocatalytic Hydrogenation of CO2 over C-Supported Cu-Based Systems. ACS Catalysis, (13), 5876-5895. doi:10.1021/acscatal.3c01288.Gianolio, D., Higham, M. D., Quesne, M. G., Aramini, M., Xu, R., Large, A. I., Held, G., Velasco Vélez, J., Hävecker, M., Knop-Gericke, A., Genovese, C., Ampelli, C., Schuster, M. E., Perathoner, S., Centi, G., Catlow, C. R. A., Arrigo, R. (2023). Interfacial Chemistry in the Electrocatalytic Hydrogenation of CO2 over C-Supported Cu-Based Systems. ACS Catalysis, (13), 5876-5895. doi:10.1021/acscatal.3c01288.
• Carbonio, E. A., Sulzmann, F., Klyushin, A. Y., Hävecker, M., Piccinin, S., Knop-Gericke, A., Schlögl, R., Jones, T. E. (2023). Adjusting the Chemical Reactivity of Oxygen for Propylene Epoxidation on Silver by Rational Design: The Use of an Oxyanion and Cl. ACS Catalysis, 13(9), 5906-5913. doi:10.1021/acscatal.3c00297.
• Righi, G., Plescher, J., Schmidt, F.-P., Campen, R. K., Fabris, S., Knop-Gericke, A., Schlögl, R., Jones, T. E., Teschner, D.,  Piccinin, S. (2022). On the origin of multihole oxygen evolution in haematite photoanodes. Nature Catalysis, 5(10), 888-899. doi:10.1038/s41929-022-00845-9.
• Santaya, M., Jimenez, C. E., Esteban Troiani, H., Carbonio, E. A., Damian Arce, M., Maria Toscani, L., Garcia-Diez, R., Wilks, R. G., Knop-Gericke, A., Baer, M.,  Veronica Mogni, L. (2022). Tracking the nanoparticle exsolution/reoxidation processes of Ni-doped SrTi0.3Fe0.7O3-delta electrodes for intermediate temperature symmetric solid oxide fuel cells. JOURNAL OF MATERIALS CHEMISTRY A, (10) 15554-15568. doi:10.1039/d2ta02959f.
• Wang, H., Ogolla, C. O., Panchal, G., Hepp, M., Delacroix, S., Cruz, D., Kojda, D., Ciston, J., Ophus, C., Knop-Gericke, A., Habicht, K., Butz, B.,  Strauss, V. (2022). Flexible CO2 Sensor Architecture with Selective Nitrogen Functionalities by One-Step Laser-Induced Conversion of Versatile Organic Ink. Advanced Functional Materials, (32): 2207406, pp. 1-12. doi:10.1002/adfm.202207406.
• Javed, H., Knop-Gericke, A.,  Mom, R. V. (2022). Structural Model for Transient Pt Oxidation during Fuel Cell Start-up Using Electrochemical X-ray Photoelectron Spectroscopy. ACS Applied Materials and Interfaces, 14(31), 36238-36245. doi:10.1021/acsami.2c09249.
• Türk, H., Götsch, T., Schmidt, F.-P., Hammud, A., Ivanov, D., de Haart, L. G. J., Vinke, I. C., Eichel, R.-A., Schlögl, R., Reuter, K., Knop-Gericke, A., Lunkenbein, T.,  Scheurer, C. (2022). Sr Surface Enrichment in Solid Oxide Cells - Approaching the Limits of EDX Analysis by Multivariate Statistical Analysis and Simulations. ChemCatChem, (14): e202200300, pp. 1-13. doi:10.1002/cctc.202200300.
• Mom V, R., Falling, L. J., Kasian, O., Algara-Siller, G., Teschner, D., Crabtree, R. H., Knop-Gericke, A., Mayrhofer, K. J. J., Velasco-Velez, J.-J., Jones, T. E. (2022). Operando Structure-Activity-Stability Relationship of Iridium Oxides during the Oxygen Evolution Reaction. ACS Catalysis, 12(9), 5174-5184. doi:10.1021/acscatal.1c05951.
• Velasco Vélez, J., Bernsmeier, D., Jones, T. E., Zeller, P., Carbonio, E., Chuang, C.-H., Falling, L. J., Streibel, V., Mom V, R., Hammud, A., Hävecker, M., Arrigo, R., Stotz, E., Lunkenbein, T., Knop-Gericke, A., Krähnert, R.,  Schlögl, R. (2022). The rise of electrochemical NAPXPS operated in the soft X-ray regime exemplified by the oxygen evolution reaction on IrOx electrocatalysts. Faraday Discussions, (236), 103-125. doi:10.1039/d1fd00114k.
• Kenmoe, S., Douma, D. H., Raji, A. T., M'Passi-Mabiala, B., Goetsch, T., Girgsdies, F., Knop-Gericke, A., Schlögl, R.,  Spohr, E. (2022). X-ray Absorption Near-Edge Structure (XANES) at the O K-Edge of Bulk Co3O4: Experimental and Theoretical Studies. Nanomaterials, 12(6): 921, pp. 1-10. doi:10.3390/nano12060921.
• Codeco, C. F. S., Klyushin, A. Y., Carbonio, E. A., Knop-Gericke, A., Schlögl, R., Jones, T.,  Rocha, T. C. R. (2022). Insights into the electronic structure of hydroxyl on Ag(110) under near ambient conditions. Physical Chemistry Chemical Physics, 24(15), 8832-8838. doi:10.1039/d1cp02929k.
• Streibel, V., Velasco-Velez, J. J., Teschner, D., Carbonio, E. A., Knop-Gericke, A., Schlögl, R.,  Jones, T. E. (2022). Merging operando and computational X-ray spectroscopies to study the oxygen evolution reaction. Current Opinion in Electrochemistry, (35) 101039,  doi:10.1016/j.coelec.2022.101039.
• Arrigo, R., Blume, R.,Streibel, V., Genovese, C., Roldan, A., Schuster, M. E., Ampelli, C., Perathoner, S., Velasco Vélez, J., Hävecker, M., Knop-Gericke, A., Schlögl, R.,  Centi, G. (2022). Dynamics at Polarized Carbon Dioxide-Iron Oxyhydroxide Interfaces Unveil the Origin of Multicarbon Product Formation. ACS Catalysis, (12), 411-430. doi:10.1021/acscatal.1c04296.
• Panafidin, M. A., Bukhtiyarov, A. V., Prosvirin, I. P., Chetyrin, I. A., Klyushin, A. Y., Knop-Gericke, A., Smirnova, N. S., Markov, P. V., Mashkovsky, I. S., Zubavichus, Y. V., Stakheev, A. Y., Bukhtiyarov, V. I. (2022). A mild post-synthesis oxidative treatment of Pd-In/HOPG bimetallic catalysts as a tool of their surface structure fine tuning. Applied Surface Science, 571: 151350. doi:10.1016/j.apsusc.2021.151350.

Full publications list | ORCID

Selected MPI CEC publications

• Voit, G.; Jenthra, S.; Hölscher, M.; Weyhermüller, T.; Leitner, W. Reversible insertion of carbon dioxide at phosphine sulfonamido PdII–aryl complexes. Organometallics 2020, 39 (24), 4465-4473.
• Kemper, G.; Hölscher, M.; Leitner, W. Pd (II)-catalyzed carboxylation of aromatic C─ H bonds with CO2. Science Advances 2023, 9 (5), eadf2966.
• Singh, A.; Kemper, G.; Weyhermueller, T.; Kaeffer, N.; Leitner, W. Activated Mn‐MACHO Complexes Form Stable CO2 Adducts. Chemistry–A European Journal 2023, e202303438.