Publikationen von Karsten Reuter

Khare, R.; Weindl, R.; Jentys, A.; Reuter, K.; Shi, H.; Lercher, J. A.: Di- and Tetrameric Molybdenum Sulfide Clusters Activate and Stabilize Dihydrogen as Hydrides. JACS Au 2 (3), S. 613 - 622 (2022)

Staacke, C.; Wengert, S.; Kunkel, C.; Csányi, G.; Reuter, K.; Margraf, J.: Kernel charge equilibration: efficient and accurate prediction of molecular dipole moments with a machine-learning enhanced electron density model. Machine Learning: Science and Technology 3 (1), 015032 (2022)

Dupuy, R.; Filser, J.; Richter, C.; Seidel, R.; Trinter, F.; Buttersack, T.; Nicolas, C.; Bozek, J.; Hergenhahn, U.; Oberhofer, H. et al.; Winter, B.; Reuter, K.; Bluhm, H.: Photoelectron angular distributions as sensitive probes of surfactant layer structure at the liquid-vapor interface. Physical Chemistry Chemical Physics 24 (8), S. 4796 - 4808 (2022)

Margraf, J.; Ulissi, Z. W.; Jung, Y.; Reuter, K.: Heterogeneous Catalysis in Grammar School. The Journal of Physical Chemistry C 126 (6), S. 2931 - 2936 (2022)

Ahsan, M. A.; He, T.; Noveron, J. C.; Reuter, K.; Puente-Santiago, A. R.; Luque, R.: Low-dimensional heterostructures for advanced electrocatalysis: an experimental and computational perspective. Chemical Society Reviews 51 (3), S. 812 - 828 (2022)

Levin, N.; Margraf, J.; Lengyel, J.; Reuter, K.; Tschurl, M.; Heiz, U.: CO₂-Activation by size-selected tantalum cluster cations (Ta_1–16⁺): thermalization governing reaction selectivity. Physical Chemistry Chemical Physics 24 (4), S. 2623 - 2629 (2022)

Keller, E.; Tsatsoulis, T.; Reuter, K.; Margraf, J.: Regularized second-order correlation methods for extended systems. The Journal of Chemical Physics 156 (2), 024106 (2022)

Filser, J.; Reuter, K.; Oberhofer, H.: Piecewise Multipole-Expansion Implicit Solvation for Arbitrarily Shaped Molecular Solutes. Journal of Chemical Theory and Computation 18 (1), S. 461 - 478 (2022)

Zhang, D.; Li, H.; Riaz, A.; Sharma, A.; Liang, W.; Wang, Y.; Chen, H.; Vora, K.; Yan, D.; Su, Z. et al.; Tricoli, A.; Zhao, C.; Beck, F. J.; Reuter, K.; Catchpole, K.; Karuturi, S.: Unconventional direct synthesis of Ni₃N/Ni with N-vacancies for efficient and stable hydrogen evolution. Energy & Environmental Science 15 (1), S. 185 - 195 (2022)

Timmermann, J.; Lee, Y.; Staacke, C.; Margraf, J.; Scheurer, C.; Reuter, K.: 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)

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

Dávila López, A.; Eggert, T.; Reuter, K.; Hörmann, N.: Static and dynamic water structures at interfaces: A case study with focus on Pt(111). The Journal of Chemical Physics 155 (19), 194702 (2021)

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

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

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

Bischoff, F.; Riss, A.; Michelitsch, G. S.; Ducke, J.; Barth, J. V.; Reuter, K.; Auwärter, W.: Surface-Mediated Ring-Opening and Porphyrin Deconstruction via Conformational Distortion. Journal of the American Chemical Society 143 (37), S. 15131 - 15138 (2021)

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

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

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

Li, H.; Liu, Y.; Chen, K.; Margraf, J.; Li, Y.; Reuter, K.: 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), S. 7906 - 7914 (2021)