Publications of Karsten Reuter
All genres
Journal Article (350)
21.
Journal Article
128 (49), pp. 20886 - 20894 (2024)
Oxygen Adsorption at the Electrochemical Metal/Water Interface: Au(111) vs Pt(111). The Journal of Physical Chemistry C 22.
Journal Article
: Rationally Designed Laterally-Condensed-Catalysts Deliver Robust Activity and Selectivity for Ethylene Production in Acetylene Hydrogenation. Nature Communications 15, 10660 (2024)
23.
Journal Article
171 (12), 126501 (2024)
On the pH-Dependence of the Hupd Peak of Pt-Group Nanoparticles. Journal of the Electrochemical Society 24.
Journal Article
: Materials Acceleration Platforms (MAPs): Accelerating Materials Research and Development to Meet Urgent Societal Challenges. Advanced Materials 36 (45), 2407791 (2024)
25.
Journal Article
6 (10), pp. 2502 - 2514 (2024)
Cobalt Single Atom-Catalyzed Formation of LiOH in Li-O2 Batteries via the Direct 4-Electron Oxygen Reduction Pathway. CCS Chemistry 26.
Journal Article
161 (7), 074104 (2024)
Small basis set density functional theory method for cost-efficient, large-scale condensed matter simulations. The Journal of Chemical Physics 27.
Journal Article
20 (12), pp. 5276 - 5290 (2024)
Obtaining Robust Density Functional Tight-Binding Parameters for Solids across the Periodic Table. Journal of Chemical Theory and Computation 28.
Journal Article
Exploring mesoscopic mass transport effects on electrocatalytic selectivity. Nature Catalysis (2024)
29.
Journal Article
: Systematic Exploration of a Multi-Promoter Catalyst Composition Space with Limited Experiments: Non-Oxidative Propane Dehydrogenation to Propylene. ACS Catalysis 14 (11), pp. 9008 - 9017 (2024)
30.
Journal Article
: Linking Bulk and Surface Structures in Complex Mixed Oxides. ACS Catalysis 14 (11), pp. 9018 - 9033 (2024)
31.
Journal Article
160 (23), 214706 (2024)
Constant potential energetics of metallic and semiconducting electrodes: A benchmark study on 2D materials. The Journal of Chemical Physics 32.
Journal Article
: Operando Characterization and Molecular Simulations Reveal the Growth Kinetics of Graphene on Liquid Copper During Chemical Vapor Deposition. ACS Nano 18 (19), pp. 12503 - 12511 (2024)
33.
Journal Article
128 (13), pp. 5524 - 5531 (2024)
Converging Divergent Paths: Constant Charge vs Constant Potential Energetics in Computational Electrochemistry. The Journal of Physical Chemistry C 34.
Journal Article
7 (6), pp. 2392 - 2404 (2024)
Factors Affecting the Electron Conductivity in Single Crystal Li7La3Zr2O12 and Li7P3S11. ACS Applied Energy Materials 35.
Journal Article
146 (11), pp. 7698 - 7707 (2024)
Discovering High Entropy Alloy Electrocatalysts in Vast Composition Spaces with Multiobjective Optimization. Journal of the American Chemical Society 36.
Journal Article
11 (4), 2300774 (2024)
Adsorption, Single-Molecule Manipulation, and Self-Assembly of Borazine on Ag(111). Advanced Materials Interfaces 37.
Journal Article
: Metastable nickel-oxygen species modulate rate oscillations during dry reforming of methane. Nature Catalysis 7, pp. 161 - 171 (2024)
38.
Journal Article
19 (23), pp. 8815 - 8825 (2023)
Ab Initio-Based Modeling of Thermodynamic Cyclic Voltammograms: A Benchmark Study on Ag(100) in Bromide Solutions. Journal of Chemical Theory and Computation 39.
Journal Article
19 (22), pp. 8323 - 8331 (2023)
Controlled Electrochemical Barrier Calculations without Potential Control. Journal of Chemical Theory and Computation 40.
Journal Article
159 (19), 194702 (2023)
Cavity formation at metal-water interfaces. The Journal of Chemical Physics