Publications of Karsten Reuter
All genres
Journal Article (346)
2024
Journal Article
E. Keller, , K. Reuter and J. Margraf: Small basis set density functional theory method for cost-efficient, large-scale condensed matter simulations. The Journal of Chemical Physics 161 (7), 074104 (2024).
Journal Article
C. Kunkel, , F. Felsen, , , , , , C. Scheurer, 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).
Journal Article
Z. Li, E. Öztuna, K. Skorupska, , A. Jamshaid, , C. Rohner, , M. Prieto, C. Kunkel, , P. Kube, , A. Dudzinski, F. Girgsdies, S. Wrabetz, W. Frandsen, R. Blume, P. Zeller, , D. Delgado Muñoz, , F. Schmidt, , , , , , , , A. Hammud, J. Kröhnert, A. Trunschke, C. Scheurer, T. Schmidt, T. Lunkenbein, , H. Kuhlenbeck, V.J. Bukas, A. Knop-Gericke, , 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).
Journal Article
L. Masliuk, K. Nam, , Y. Lee, P. Kube, D. Delgado Muñoz, F. Girgsdies, K. Reuter, R. Schlögl, A. Trunschke, C. Scheurer, and T. Lunkenbein: Linking Bulk and Surface Structures in Complex Mixed Oxides. ACS Catalysis 14 (11), 9018–9033 (2024).
Journal Article
H. Oschinski, S. Beinlich, K. Reuter and N. Hörmann: On the pH-Dependence of the Hupd Peak of Pt-Group Nanoparticles. Journal of the Electrochemical Society 171 (12), 126501 (2024).
Journal Article
H. Oschinski, 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).
Journal Article
, H. Gao, H. Heenen, , , , , J. Margraf, , , , , K. Reuter and : 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).
Journal Article
L. Sandoval Diaz, 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).
Journal Article
, , , , , , , , , , , , , , , , , , , , , , , , , , , K. Reuter, C. Scheurer, , , , , and : Materials Acceleration Platforms (MAPs): Accelerating Materials Research and Development to Meet Urgent Societal Challenges. Advanced Materials 36 (45), 2407791 (2024).
Journal Article
H. Türk, X.Q. Tran, P. König, A. Hammud, , F. Schmidt, , , , , F. Girgsdies, Y.-T. Chan, T. Götsch, H. Ali, , , , A. Knop-Gericke, K. Reuter, , 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).
Journal Article
, , G.S. Michelitsch, K. Reuter, , and : Adsorption, Single-Molecule Manipulation, and Self-Assembly of Borazine on Ag(111). Advanced Materials Interfaces 11 (4), 2300774 (2024).
Journal Article
W. Xu, E. Diesen, , 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).
2023
Journal Article
S. Beinlich, , K. Reuter and N. Hörmann: Controlled Electrochemical Barrier Calculations without Potential Control. Journal of Chemical Theory and Computation 19 (22), 8323–8331 (2023).
Journal Article
N. Bergmann, 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).
Journal Article
K. Chen, C. Kunkel, , K. Reuter and J. Margraf: Physics-inspired machine learning of localized intensive properties. Chemical Science 14 (18), 4913–4922 (2023).
Journal Article
A. Dudzinski, 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).
Journal Article
R. Dupuy, J. Filser, C. Richter, T. Buttersack, F. Trinter, S. Gholami, , , , D. Egger, , , 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).
Journal Article
R. Dupuy, , C. Richter, , F. Trinter, T. Buttersack, , , U. Hergenhahn, , 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).
Journal Article
T. Eggert, N. Hörmann and K. Reuter: Cavity formation at metal-water interfaces. The Journal of Chemical Physics 159 (19), 194702 (2023).