Publications of Karsten Reuter

Journal Article (350)

21.
Journal Article
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), pp. 20886 - 20894 (2024)
22.
Journal Article
Li, Z.; Öztuna, E.; Skorupska, K.; Vinogradova, O.; Jamshaid, A.; Steigert, A.; Rohner, C.; Dimitrakopoulou, M.; Prieto, M.; Kunkel, C. et al.: Rationally Designed Laterally-Condensed-Catalysts Deliver Robust Activity and Selectivity for Ethylene Production in Acetylene Hydrogenation. Nature Communications 15, 10660 (2024)
23.
Journal Article
Oschinski, H.; Beinlich, S.; Reuter, K.; Hörmann, N.: On the pH-Dependence of the Hupd Peak of Pt-Group Nanoparticles. Journal of the Electrochemical Society 171 (12), 126501 (2024)
24.
Journal Article
Stier, S. P.; Kreisbeck, C.; Ihssen, H.; Popp, M. A.; Hauch, J.; Malek, K.; Reynaud, M.; Goumans, T.P.M.; Carlsson, J.; Todorov, I. et al.: Materials Acceleration Platforms (MAPs): Accelerating Materials Research and Development to Meet Urgent Societal Challenges. Advanced Materials 36 (45), 2407791 (2024)
25.
Journal Article
Huang, K.; Wan, H.; Gong, Z.; Liu, J.; Yan, M.; Wu, J.; Cui, C.; Ye, G.; Reuter, K.; Fei, H.: Cobalt Single Atom-Catalyzed Formation of LiOH in Li-O2 Batteries via the Direct 4-Electron Oxygen Reduction Pathway. CCS Chemistry 6 (10), pp. 2502 - 2514 (2024)
26.
Journal Article
Keller, E.; Morgenstein, J.; Reuter, K.; Margraf, J.: Small basis set density functional theory method for cost-efficient, large-scale condensed matter simulations. The Journal of Chemical Physics 161 (7), 074104 (2024)
27.
Journal Article
Cui, M.; Reuter, K.; Margraf, J.: Obtaining Robust Density Functional Tight-Binding Parameters for Solids across the Periodic Table. Journal of Chemical Theory and Computation 20 (12), pp. 5276 - 5290 (2024)
28.
Journal Article
Heenen, H.; Pillai, H. S.; Reuter, K.; Bukas, V. J.: Exploring mesoscopic mass transport effects on electrocatalytic selectivity. Nature Catalysis (2024)
29.
Journal Article
Kunkel, C.; Rüther, F.; Felsen, F.; Pare, C. W. P.; Terzi, A.; Baumgarten, R.; Gioria, E.; d’Alnoncourt, R. N.; Scheurer, C.; Rosowski, F. et al.: 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
Masliuk, L.; Nam, K.; Terban, M. W.; Lee, Y.; Kube, P.; Delgado Muñoz, D.; Girgsdies, F.; Reuter, K.; Schlögl, R.; Trunschke, A. et al.: Linking Bulk and Surface Structures in Complex Mixed Oxides. ACS Catalysis 14 (11), pp. 9018 - 9033 (2024)
31.
Journal Article
Oschinski, H.; Hörmann, N.; Reuter, K.: Constant potential energetics of metallic and semiconducting electrodes: A benchmark study on 2D materials. The Journal of Chemical Physics 160 (23), 214706 (2024)
32.
Journal Article
Rein, V.; Gao, H.; Heenen, H.; Sghaier, W.; Manikas, A. C.; Tsakonas, C.; Saedi, M.; Margraf, J.; Galiotis, C.; Renaud, G. et al.: 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
Hörmann, N.; Beinlich, S.; Reuter, K.: Converging Divergent Paths: Constant Charge vs Constant Potential Energetics in Computational Electrochemistry. The Journal of Physical Chemistry C 128 (13), pp. 5524 - 5531 (2024)
34.
Journal Article
Demir, S.; Tekin, A.; Chan, Y.-T.; Scheurer, C.; Reuter, K.; Luntz, A. C.; Voss, J.: Factors Affecting the Electron Conductivity in Single Crystal Li7La3Zr2O12 and Li7P3S11. ACS Applied Energy Materials 7 (6), pp. 2392 - 2404 (2024)
35.
Journal Article
Xu, W.; Diesen, E.; He, T.; Reuter, K.; Margraf, J.: Discovering High Entropy Alloy Electrocatalysts in Vast Composition Spaces with Multiobjective Optimization. Journal of the American Chemical Society 146 (11), pp. 7698 - 7707 (2024)
36.
Journal Article
Weiss, T.; Baklanov, A.; Michelitsch, G. S.; Reuter, K.; Schwarz, M.; Garnica, M.; Auwärter, W.: Adsorption, Single-Molecule Manipulation, and Self-Assembly of Borazine on Ag(111). Advanced Materials Interfaces 11 (4), 2300774 (2024)
37.
Journal Article
Sandoval Diaz, L.; Cruz, D.; Vuijk, M.; Ducci, G.; Hävecker, M.; Jiang, W.; Plodinec, M.; Hammud, A.; Ivanov, D.; Götsch, T. et al.: Metastable nickel-oxygen species modulate rate oscillations during dry reforming of methane. Nature Catalysis 7, pp. 161 - 171 (2024)
38.
Journal Article
Bergmann, N.; Hörmann, N.; Reuter, K.: 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), pp. 8815 - 8825 (2023)
39.
Journal Article
Beinlich, S.; Kastlunger, G.; Reuter, K.; Hörmann, N.: Controlled Electrochemical Barrier Calculations without Potential Control. Journal of Chemical Theory and Computation 19 (22), pp. 8323 - 8331 (2023)
40.
Journal Article
Eggert, T.; Hörmann, N.; Reuter, K.: Cavity formation at metal-water interfaces. The Journal of Chemical Physics 159 (19), 194702 (2023)