Publications of Karsten Reuter

Kunkel, C., F. Rüther, F. Felsen, C.W.P. Pare, A. Terzi, R. Baumgarten, E. Gioria, R.N. d’Alnoncourt, C. Scheurer, F. Rosowski and K. Reuter: Systematic Exploration of a Multi-Promoter Catalyst Composition Space with Limited Experiments: Non-Oxidative Propane Dehydrogenation to Propylene. ACS Catalysis 14 (11), 9008–9017 (2024).

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

Masliuk, L., K. Nam, M.W. Terban, Y. Lee, P. Kube, D. Delgado Muñoz, F. Girgsdies, K. Reuter, R. Schlögl, A. Trunschke, C. Scheurer, M. Zobel and T. Lunkenbein: Linking Bulk and Surface Structures in Complex Mixed Oxides. ACS Catalysis 14 (11), 9018–9033 (2024).

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

Oschinski, H., N. Hörmann and K. Reuter: Constant potential energetics of metallic and semiconducting electrodes: A benchmark study on 2D materials. The Journal of Chemical Physics 160 (23), 214706 (2024).

Rein, V., H. Gao, H. Heenen, W. Sghaier, A.C. Manikas, C. Tsakonas, M. Saedi, J. Margraf, C. Galiotis, G. Renaud, O.V. Konovalov, I.M.N. Groot, K. Reuter and M. Jankowski: Operando Characterization and Molecular Simulations Reveal the Growth Kinetics of Graphene on Liquid Copper During Chemical Vapor Deposition. ACS Nano 18 (19), 12503–12511 (2024).

Sandoval Diaz, L., D. Cruz, M. Vuijk, G. Ducci, M. Hävecker, W. Jiang, M. Plodinec, A. Hammud, D. Ivanov, T. Götsch, K. Reuter, R. Schlögl, C. Scheurer, A. Knop-Gericke and T. Lunkenbein: Metastable nickel-oxygen species modulate rate oscillations during dry reforming of methane. Nature Catalysis 7, 161–171 (2024).

Stier, S.P., C. Kreisbeck, H. Ihssen, M.A. Popp, J. Hauch, K. Malek, M. Reynaud, T.P.M. Goumans, J. Carlsson, I. Todorov, L. Gold, A. Räder, W. Wenzel, S.T. Bandesha, P. Jacques, F. Garcia-Moreno, O. Arcelus, P. Friederich, S. Clark, M. Maglione, A. Laukkanen, I.E. Castelli, J. Carrasco, M.C. Cabanas, H.S. Stein, O. Ozcan, D. Elbert, K. Reuter, C. Scheurer, M. Demura, S.S. Han, T. Vegge, S. Nakamae, M. Fabrizio and M. Kozdras: Materials Acceleration Platforms (MAPs): Accelerating Materials Research and Development to Meet Urgent Societal Challenges. Advanced Materials 36 (45), 2407791 (2024).

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

Weiss, T., A. Baklanov, G.S. Michelitsch, K. Reuter, M. Schwarz, M. Garnica and W. Auwärter: Adsorption, Single-Molecule Manipulation, and Self-Assembly of Borazine on Ag(111). Advanced Materials Interfaces 11 (4), 2300774 (2024).

Xu, W., E. Diesen, T. He, K. Reuter and J. Margraf: Discovering High Entropy Alloy Electrocatalysts in Vast Composition Spaces with Multiobjective Optimization. Journal of the American Chemical Society 146 (11), 7698–7707 (2024).

Beinlich, S., G. Kastlunger, K. Reuter and N. Hörmann: Controlled Electrochemical Barrier Calculations without Potential Control. Journal of Chemical Theory and Computation 19 (22), 8323–8331 (2023).

Bergmann, N., N. Hörmann and K. Reuter: Ab Initio-Based Modeling of Thermodynamic Cyclic Voltammograms: A Benchmark Study on Ag(100) in Bromide Solutions. Journal of Chemical Theory and Computation 19 (23), 8815–8825 (2023).

Chen, K., C. Kunkel, B. Cheng, K. Reuter and J. Margraf: Physics-inspired machine learning of localized intensive properties. Chemical Science 14 (18), 4913–4922 (2023).

Dudzinski, A., E. Diesen, H. Heenen, V.J. Bukas and K. Reuter: First Step of the Oxygen Reduction Reaction on Au(111): A Computational Study of O₂ Adsorption at the Electrified Metal/Water Interface. ACS Catalysis 13 (18), 12074–12081 (2023).

Dupuy, R., J. Filser, C. Richter, T. Buttersack, F. Trinter, S. Gholami, R. Seidel, C. Nicolas, J. Bozek, D. Egger, H. Oberhofer, S. Thürmer, U. Hergenhahn, K. Reuter, B. Winter and H. Bluhm: Ångstrom-Depth Resolution with Chemical Specificity at the Liquid-Vapor Interface. Physical Review Letters 130 (15), 156901 (2023).

Dupuy, R., J. Filser, C. Richter, R. Seidel, F. Trinter, T. Buttersack, C. Nicolas, J. Bozek, U. Hergenhahn, H. Oberhofer, B. Winter, K. Reuter and H. Bluhm: Correction: Photoelectron angular distributions as sensitive probes of surfactant layer structure at the liquid-vapor interface. Physical Chemistry Chemical Physics 25 (33), 22538–22538 (2023).

Eggert, T., N. Hörmann and K. Reuter: Cavity formation at metal-water interfaces. The Journal of Chemical Physics 159 (19), 194702 (2023).

Gelžinytė, E., S. Wengert, T.K. Stenczel, H. Heenen, K. Reuter, G. Csányi and N. Bernstein: wfl Python toolkit for creating machine learning interatomic potentials and related atomistic simulation workflows. The Journal of Chemical Physics 159 (12), 124801 (2023).

Ghan, S., E. Diesen, C. Kunkel, K. Reuter and H. Oberhofer: Interpreting ultrafast electron transfer on surfaces with a converged first-principles Newns–Anderson chemisorption function. The Journal of Chemical Physics 158 (23), 234103 (2023).