Scientific Publications

Yadav, O.; Kumar, M.; Mohapatra, R. K.; Gupta, M. K.; Ansari, M.; Ansari, A.: Mechanistic insights on the epoxidation of alkenes by high-valent non-heme Fe(IV) and Fe(V) oxidants: a comparative theoretical study. New Journal of Chemistry 48 (14), pp. 6132 - 6141 (2024)

Wang, Y.; Kumar, A.; Budiyanto, E.; Cheraparambil, H.; Weidenthaler, C.; Tüysüz, H.: Boron-Incorporated Cobalt–Nickel Oxide Nanosheets for Electrochemical Oxygen Evolution Reaction. ACS Applied Energy Materials (2024)

Cai, Y.; Gaurav, G.; Ritter, T.: 1,4-Aminoarylation of Butadienes via Photoinduced Palladium Catalysis. Angewandte Chemie International Edition 63 (14), e202311250 (2024)

Reichle, S.; Kang, L.; Demirbas, D.; Weidenthaler, C.; Felderhoff, M.; DeBeer, S.; Schüth, F.: Mechanocatalytic Synthesis of Ammonia: State of the Catalyst During Reaction and Deactivation Pathway. Angewandte Chemie International Edition 63 (14), e202317038 (2024)

Büker, J.; Shang, J.; Angel, S.; Budiyanto, E.; Tüysüz, H.; Wiggers, H.; Schulz, C.; Grünewald, M.; Peng, B.; Muhler, M.: Tert-butyl hydroperoxide decomposition as a descriptor for liquid-phase hydrocarbon oxidation over transition metal oxide-based catalysts: a screening study (GH-12158WP). ARKIVOC 2024 (3), 202312158 (2024)

Bodach, A.; Portet, A.; Winkelmann, F.; Herrmann, B.; Gallou, F.; Ponnusamy, E.; Virieux, D.; Colacino, E.; Felderhoff, M.: Scalability of Pharmaceutical Co-Crystal Formation by Mechanochemistry in batch. ChemSusChem 17 (6), e202301220 (2024)

Palme, P. R.; Goddard, R.; Imming, P.; Seidel, R. W.: Structural Characterization of 4-(4-Nitrophenyl)thiomorpholine, a Precursor in Medicinal Chemistry. Molbank 2024 (1), M1795 (2024)

Lee, J.; Kumar, A.; Tüysüz, H.: Solar-Light-Driven Photocatalytic Oxidative Coupling of Phenol Derivatives over Bismuth-Based Porous Metal Halide Perovskites. Angewandte Chemie International Edition, e202404496 (2024)

Gasevic, T.; Kleine Büning, J. B.; Grimme, S.; Bursch, M.: Benchmark Study on the Calculation of ²⁰⁷Pb NMR Chemical Shifts. Inorganic Chemistry 63 (11), pp. 5052 - 5064 (2024)

Lang, M.; Ganapathy, U. S.; Mann, L.; Seidel, R. W.; Goddard, R.; Erdmann, F.; Dick, T.; Richter, A.: Synthesis and in vitro Metabolic Stability of Sterically Shielded Antimycobacterial Phenylalanine Amides. ChemMedChem 19 (6), e202300593 (2024)

Cheraparambil, H.; Vega-Paredes, M.; Wang, Y.; Tüysüz, H.; Scheu, C.; Weidenthaler, C.: Deciphering the role of Fe impurities in the electrolyte boosting the OER activity of LaNiO₃. Journal of Materials Chemistry A 12 (9), pp. 5194 - 5203 (2024)

Plett, C.; Stahn, M.; Bursch, M.; Mewes, J.-M.; Grimme, S.: Improving Quantum Chemical Solvation Models by Dynamic Radii Adjustment for Continuum Solvation (DRACO). The Journal of Physical Chemistry Letters 15 (9), pp. 2462 - 2469 (2024)

Yahata, K.; Fürstner, A.: Total Synthesis of the Guangnanmycin A Alcohol. Angewandte Chemie International Edition 63 (10), e202319070 (2024)

Hartmann, P.; Bohdan, K.; Hommrich, M.; Juliá, F.; Vogelsang, L.; Eirich, J.; Zangl, R.; Farès, C.; Jacobs, J. B.; Mukhopadhyay, D. et al.; Mengeler, J. M.; Vetere, A.; Sterling, M. S.; Hinrichs, H.; Becker, S.; Morgner, N.; Schrader, W.; Finkemeier, I.; Dietz, K.-J.; Griesinger, C.; Ritter, T.: Chemoselective umpolung of thiols to episulfoniums for cysteine bioconjugation. Nature Chemistry 16, pp. 380 - 388 (2024)

Sharma, P.; Bilican, A.; Schmidt, W.; Gutowski, O.; Dippel, A.-C.; Kopietz, L.; Weidenthaler, C.: Navigating harsh ageing: Unraveling galvanostatic corrosion effects on different constituents of carbon-polymer composite bipolar plates for vanadium redox flow batteries. Carbon 221, 118907 (2024)

Ulucan, T. H.; Wang, J.; Onur, E.; Chen, S.; Behrens, M.; Weidenthaler, C.: Unveiling the Structure–Property Relationship of MgO-Supported Ni Ammonia Decomposition Catalysts from Bulk to Atomic Structure by In Situ/Operando Studies. ACS Catalysis 14 (5), pp. 2828 - 2841 (2024)

Balcerzak, M.; Ponsoni, J. B.; Petersen, H.; Menéndez, C.; Ternieden, J.; Zhang, L.; Winkelmann, F.; Aguey-Zinsou, K.-F.; Hirscher, M.; Felderhoff, M.: Hydrogen-Stabilized ScYNdGd Medium-Entropy Alloy for Hydrogen Storage. Journal of the American Chemical Society 146 (8), pp. 5283 - 5294 (2024)

Miyazaki, R.; Belthle, K. S.; Tüysüz, H.; Foppa, L.; Scheffler, M.: Materials Genes of CO₂ Hydrogenation on Supported Cobalt Catalysts: An Artificial Intelligence Approach Integrating Theoretical and Experimental Data. Journal of the American Chemical Society 146 (8), pp. 5433 - 5444 (2024)

Kaur, H.; Rauscher, S. A.; Werner, E.; Song, Y.; Yi, J.; Kazöne, W.; Martin, W. F.; Tüysüz, H.; Moran, J.: A prebiotic Krebs cycle analog generates amino acids with H₂ and NH₃ over nickel. Chem (2024)

Agbaba, Ö.; Amrute, A. P.; Ochoa-Hernández, C.; Triller, S.; Schüth, F.: Methanol Dehydration to Dimethyl Ether on Ball Milling-Derived High-Surface-Area Alpha-Alumina Catalysts. ChemCatChem 16 (4), e202301159 (2024)