Suchergebnisse

Cruz, D.; Żółtowska, S.; Savateev, O.; Antonietti, M.; Giusto, P.: Carbon nitride caught in the act of artificial photosynthesis. Nature Communications 16, 374 (2025)

Poths, P.; Lai, K. C.; Cannizzaro, F.; Scheurer, C.; Matera, S.; Reuter, K.: ML-Accelerated Automatic Process Exploration Reveals Facile O-Induced Pd Step-Edge Restructuring on Catalytic Time Scales. ACS Catalysis 15 (1), S. 514 - 522 (2025)

Arriba, A. d.; Delgado Muñoz, D.; Concepción, P.; López Nieto, J. M.: Mixed metal oxide bronzes as catalysts for the gas-phase aerobic transformation of glycerol to acrylic acid: Single or double catalytic bed approaches. Catalysis Today 443, 114965 (2025)

Harper, A. F.; Huss, T.; Köcher, S. S.; Scheurer, C.: Tracking Li atoms in real-time with ultra-fast NMR simulations. Faraday Discussions 255, S. 411 - 428 (2025)

Scheurer, C.; Reuter, K.: Role of the human-in-the-loop in emerging self-driving laboratories for heterogeneous catalysis. Nature Catalysis 8 (1), S. 13 - 19 (2025)

Speckhard, D.; Carbogno, C.; Ghiringhelli, L. M.; Lubeck, S.; Scheffler, M.; Draxl, C.: Extrapolation to the complete basis-set limit in density-functional theory using statistical learning. Physical Review Materials 9 (1), 013801 (2025)

Yoon, A.; Bai, L.; Yang, F.; Franco, F.; Zhan, C.; Rüscher, M.; Timoshenko, J.; Pratsch, C.; Werner, S.; Jeon, H. et al.; Monteiro, M. C. O.; Chee, S. W.; Roldan Cuenya, B.: Revealing catalyst restructuring and composition during nitrate electroreduction through correlated operando microscopy and spectroscopy. Nature Materials (2025)

Türk, H.; Tran, X. Q.; König, P.; Hammud, A.; Vibhu, V.; Schmidt, F.; Berger, D.; Selve, S.; Roddatis, V.; Abou-Ras, D. et al.; Girgsdies, F.; Chan, Y.-T.; Götsch, T.; Ali, H.; Vinke, I. C.; de Haart, L.G.J. (.; Lehmann, M.; Knop-Gericke, A.; Reuter, K.; Eichel, R.-A.; Scheurer, C.; Lunkenbein, T.: Boon and Bane of Local Solid State Chemistry on the Performance of LSM-Based Solid Oxide Electrolysis Cells. Advanced Energy Materials 15 (16), 2405599 (2024)

Dudzinski, A.; Diesen, E.; Reuter, K.; Bukas, V. J.: Oxygen Adsorption at the Electrochemical Metal/Water Interface: Au(111) vs Pt(111). The Journal of Physical Chemistry C 128 (49), S. 20886 - 20894 (2024)

Fellows, A. P.; Diaz Duque, A.; Balos, V.; Lehmann, L.; Netz, R. R.; Wolf, M.; Thämer, M.: Sum-Frequency Generation Spectroscopy of Aqueous Interfaces: The Role of Depth and Its Impact on Spectral Interpretation. The Journal of Physical Chemistry C 128 (49), S. 20733 - 20750 (2024)

Miyazaki, R.; Faraji, S.; Levchenko, S. V.; Foppa, L.; Scheffler, M.: Vibrational frequencies utilized for the assessment of exchange-correlation functionals in the description of metal-adsorbate systems: C₂H₂ and C₂H₄ on transition-metal surfaces. Catalysis Science & Technology 14 (23), S. 6924 - 6933 (2024)

Solmaz, N.; Moghaddam, A. A.; Folke, J.; Ruland, H.; Shu, B.; Fernandes, R.; Schlögl, R.; Krewer, U.: Ammonia synthesis rate over a wide operating range: from experiments to validated kinetic models. ChemCatChem 16 (23), e202400890 (2024)

Pfister, N.; Kraievska, I.; Rohner, C.; Dong, J.; Timpe, O.; Girgsdies, F.; Lunkenbein, T.; Khobragade, R.; De Bellis, J.; Ferdi, S. et al.; Trunschke, A.: A Facile Approach to Alumina-Supported Pt Catalysts for the Dehydrogenation of Propane. Industrial and Engineering Chemistry Research 63 (48), S. 20778 - 20786 (2024)

Li, Z.; Öztuna, E.; Skorupska, K.; Vinogradova, O.; Jamshaid, A.; Steigert, A.; Rohner, C.; Dimitrakopoulou, M.; Prieto, M.; Kunkel, C. et al.; Stredansky, M.; Kube, P.; Götte, M.; Dudzinski, A.; Girgsdies, F.; Wrabetz, S.; Frandsen, W.; Blume, R.; Zeller, P.; Muske, M.; Delgado Muñoz, D.; Jiang, S.; Schmidt, F.; Köchler, T.; Arztmann, M.; Efimenko, A.; Frisch, J.; Kokumai, T.; Garcia-Diez, R.; Bär, M.; Hammud, A.; Kröhnert, J.; Trunschke, A.; Scheurer, C.; Schmidt, T.; Lunkenbein, T.; Amkreutz, D.; Kuhlenbeck, H.; Bukas, V. J.; Knop-Gericke, A.; Schlatmann, R.; Reuter, K.; Roldan Cuenya, B.; Schlögl, R.: Rationally Designed Laterally-Condensed-Catalysts Deliver Robust Activity and Selectivity for Ethylene Production in Acetylene Hydrogenation. Nature Communications 15, 10660 (2024)

Müller, A.; Hillenbrand, P. M.; Wang, S. X.; Schippers, S.; Lindroth, E.; Trinter, F.; Seltmann, J.; Reinwardt, S.; Martins, M.; Kheifets, A. S. et al.; Bray, I.: Double-K-hole resonances in single photoionization of He-like B³⁺ ions. Physical Review A 110 (6), 062802 (2024)

Oschinski, H.; Beinlich, S.; Reuter, K.; Hörmann, N.: On the pH-Dependence of the H_upd Peak of Pt-Group Nanoparticles. Journal of the Electrochemical Society 171 (12), 126501 (2024)

Quan, J.; Carbogno, C.; Scheffler, M.: Carrier Mobility of Strongly Anharmonic Materials from First Principles. Physical Review B 110 (23), 235202 (2024)

Zhan, C.; Dattila, F.; Rettenmaier, C.; Herzog, A.; Herran, M.; Wagner, T.; Scholten, F.; Bergmann, A.; Lopez, N.; Roldan Cuenya, B.: Key intermediates and Cu active sites for CO₂ electroreduction to ethylene and ethanol. Nature Energy 9 (12), S. 1485 - 1496 (2024)

Credidio, B.; Thürmer, S.; Stemer, D.; Pugini, M.; Trinter, F.; Vokrouhlický, J.; Slavíček, P.; Winter, B.: From Gas to Solution: The Changing Neutral Structure of Proline upon Solvation. The Journal of Physical Chemistry A 128 (47), S. 10202 - 10212 (2024)

Safferthal, M.; Greis, K.; Chang, R.; Chang, C.-W.; Hoffmann, W.; Meijer, G.; Helden, G. v.; Pagel, K.: The impact of side-chain fluorination on proton-bound phenylalanine dimers: a cryogenic infrared spectroscopic study. Physical Chemistry Chemical Physics 26 (44), S. 28155 - 28160 (2024)