Publikationen von Karsten Reuter

Götsch, T., H. Türk, F. Schmidt, I.C. Vinke, L.G.J. De Haart, R. Schlögl, K. Reuter, R.-A. Eichel, A. Knop-Gericke, C. Scheurer und T. Lunkenbein: Visualizing the Atomic Structure Between YSZ and LSM: An Interface Stabilized by Complexions? ECS Transactions 103 (1), 1331–1337 (2021).

Griesser, C., H. Li, E.-M. Werning, D. Winkler, N.S. Nia, T. Mairegger, T. Götsch, T. Schachinger, A. Steiger-Thirsfeld, S. Penner, D. Wielend, D. Egger, C. Scheurer, K. Reuter und J. Kunze-Liebhäuser: True Nature of the Transition-Metal Carbide/Liquid Interface Determines Its Reactivity. ACS Catalysis 11 (8), 4920–4928 (2021).

Hörmann, N. und K. Reuter: Thermodynamic Cyclic Voltammograms Based on Ab Initio Calculations: Ag(111) in Halide-Containing Solutions. Journal of Chemical Theory and Computation 17 (3), 1782–1794 (2021).

Hörmann, N. und K. Reuter: Thermodynamic cyclic voltammograms: peak positions and shapes. Journal of Physics: Condensed Matter 33 (26), 264004 (2021).

Jankowski, M., M. Saedi, F. La Porta, A.C. Manikas, C. Tsakonas, J.S. Cingolani, M. Andersen, M. de Voogd, G.J.C. van Baarle, K. Reuter, C. Galiotis, G. Renaud, O.V. Konovalov und I.M.N. Groot: Real-Time Multiscale Monitoring and Tailoring of Graphene Growth on Liquid Copper. ACS Nano 15 (6), 9638–9648 (2021).

Kahk, J.M., G.S. Michelitsch, R.J. Maurer, K. Reuter und J. Lischner: Core Electron Binding Energies in Solids from Periodic All-Electron Δ-Self-Consistent-Field Calculations. The Journal of Physical Chemistry Letters 12 (38), 9353–9359 (2021).

Kunkel, C., J.T. Margraf, K. Chen, H. Oberhofer und K. Reuter: Active discovery of organic semiconductors. Nature Communications 12, 2422 (2021).

Li, H., Y. Liu, K. Chen, J. Margraf, Y. Li und K. Reuter: Subgroup Discovery Points to the Prominent Role of Charge Transfer in Breaking Nitrogen Scaling Relations at Single-Atom Catalysts on VS₂. ACS Catalysis 11 (13), 7906–7914 (2021).

Margraf, J.T. und K. Reuter: Pure non-local machine-learned density functional theory for electron correlation. Nature Communications 12, 344 (2021).

Staacke, C., H. Heenen, C. Scheurer, G. Csányi , K. Reuter und J. Margraf: On the Role of Long-Range Electrostatics in Machine-Learned Interatomic Potentials for Complex Battery Materials. ACS Applied Energy Materials 4 (11), 12562–12569 (2021).

Stegmaier, S., R. Schierholz, I. Povstugar, J. Barthel, S.P. Rittmeyer, S. Yu, S. Wengert, S. Rostami, H. Kungl, K. Reuter, R.-A. Eichel und C. Scheurer: Nano-Scale Complexions Facilitate Li Dendrite-Free Operation in LATP Solid-State Electrolyte. Advanced Energy Materials 11 (26), 2100707 (2021).

Timmermann, J., Y. Lee, C. Staacke, J. Margraf, C. Scheurer und K. Reuter: Data-Efficient Iterative Training of Gaussian Approximation Potentials: Application to Surface Structure Determination of Rutile IrO₂ and RuO₂. The Journal of Chemical Physics 155 (24), 244107 (2021).

Tsakonas, C., A.C. Manikas, M. Andersen, M. Dimitropoulos, K. Reuter und C. Galiotis: In situ kinetic studies of CVD graphene growth by reflection spectroscopy. Chemical Engineering Journal 421 (1), 129434 (2021).

Türk, H., F. Schmidt, T. Götsch, F. Girgsdies, A. Hammud, D. Ivanov, I.C. Vinke, L.G.J. de Haart, R.-A. Eichel, K. Reuter, R. Schlögl, A. Knop-Gericke, C. Scheurer und T. Lunkenbein: Complexions at the Electrolyte/Electrode Interface in Solid Oxide Cells. Advanced Materials Interfaces 8 (18), 2100967 (2021).

Weindl, R., R. Khare, L. Kovarik, A. Jentys, K. Reuter, H. Shi und J.A. Lercher: Zeolite-Stabilized Di- and Tetranuclear Molybdenum Sulfide Clusters Form Stable Catalytic Hydrogenation Sites. Angewandte Chemie International Edition 60 (17), 9301–9305 (2021).

Weindl, R., R. Khare, L. Kovarik, A. Jentys, K. Reuter, H. Shi und J.A. Lercher: Zeolite-Stabilized Di- and Tetranuclear Molybdenum Sulfide Clusters Form Stable Catalytic Hydrogenation Sites. Angewandte Chemie 60 (17), 9387–9391 (2021).

Wengert, S., G. Csányi, K. Reuter und J. Margraf: Data-efficient machine learning for molecular crystal structure prediction. Chemical Science 12 (12), 4536–4546 (2021).

Xu, W., M. Andersen und K. Reuter: Data-Driven Descriptor Engineering and Refined Scaling Relations for Predicting Transition Metal Oxide Reactivity. ACS Catalysis 11 (2), 734–742 (2021).

Auer, A., M. Andersen, E.-M. Werning, N.G. Hörmann, N. Buller, K. Reuter und J. Kunze-Liebhäuser: Self-activation of copper electrodes during CO electro-oxidation in alkaline electrolyte. Nature Catalysis 3 (10), 797–803 (2020).

Cheng, B., R.-R. Griffiths, S. Wengert, C. Kunkel, T. Stenczel, B. Zhu, V.L. Deringer, N. Bernstein, J.T. Margraf, K. Reuter und G. Csanyi: Mapping Materials and Molecules. Accounts of Chemical Research 53 (9), 1981–1991 (2020).