Publications of Christoph Scheurer

Panosetti, C.; Lee, Y.; Samtsevych, A.; Scheurer, C.: Black box vs gray box: Comparing GAP and GPrep-DFTB for ruthenium and ruthenium oxide. The Journal of Chemical Physics 158 (22), 224115 (2023)

Schleker, P. P. M.; Grosu, C.; Paulus, M.; Jakes, P.; Schlögl, R.; Eichel, R.-A.; Scheurer, C.; Granwehr, J.: Electrolyte contact changes nano-Li₄Ti₅O₁₂ bulk properties via surface polarons. Communications Chemistry 6 (1), 113 (2023)

Anníes, S.; Scheurer, C.; Panosetti, C.: The intrinsic electrostatic dielectric behaviour of graphite anodes in Li-ion batteries-Across the entire functional range of charge. Electrochimica Acta 444, 141966 (2023)

Margraf, J.; Jung, H.; Scheurer, C.; Reuter, K.: Exploring catalytic reaction networks with machine learning. Nature Catalysis 6 (2), pp. 112 - 121 (2023)

Türk, H.; Götsch, T.; Schmidt, F.; Hammud, A.; Ivanov, D.; J. L. G., (. d. H.; Vinke, I. C.; Eichel, R.-A.; Schlögl, R.; Reuter, K. et al.; Knop-Gericke, A.; Lunkenbein, T.; Scheurer, C.: Sr Surface Enrichment in Solid Oxide Cells – Approaching the Limits of EDX Analysis by Multivariate Statistical Analysis and Simulations. ChemCatChem 14 (19), e202200300 (2022)

Staacke, C.; Huss, T.; Margraf, J.; Reuter, K.; Scheurer, C.: Tackling Structural Complexity in Li₂ S-P₂S₅ Solid-State Electrolytes Using Machine Learning Potentials. Nanomaterials 12 (17), 2950 (2022)

Stegmaier, S.; Reuter, K.; Scheurer, C.: Exploiting Nanoscale Complexion in LATP Solid-State Electrolyte via Interfacial Mg²⁺ Doping. Nanomaterials 12 (17), 2912 (2022)

Lee, Y.; Scheurer, C.; Reuter, K.: Epitaxial Core-Shell Oxide Nanoparticles: First-Principles Evidence for Increased Activity and Stability of Rutile Catalysts for Acidic Oxygen Evolution. ChemSusChem 15 (10), e202200015 (2022)

Felsen, F.; Reuter, K.; Scheurer, C.: A model-free sparse approximation approach to robust formal reaction kinetics. Chemical Engineering Journal 433 (1), 134121 (2022)

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), pp. 12562 - 12569 (2021)

Anniés, S.; Panosetti, C.; Voronenko, M.; Mauth, D.; Rahe, C.; Scheurer, C.: Accessing Structural, Electronic, Transport and Mesoscale Properties of Li-GICs via a Complete DFTB Model with Machine-Learned Repulsion Potential. Materials 14 (21), 6633 (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)

Kick, M.; Scheurer, C.; Oberhofer, H.: Polaron-Assisted Charge Transport in Li-Ion Battery Anode Materials. ACS Applied Energy Materials 4 (8), pp. 8583 - 8591 (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)

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

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

Scheurer, C.: Modelling Realistic Functional Interfaces in Energy Materials. Workshop, Electron Transfer and Dynamics at Interfaces, Kreuth, Germany (2025)

Scheurer, C.: Measure, Data, And ... Then? Closing the Loop in Digital Catalysis. Science Seminar, BESSY, Berlin, Germany (2025)

Scheurer, C.: Exploring Catalytic Reaction Networks with Machine Learning. GIC-EFCATS PhD Winter School, L’Aquila, Italy (2025)

Scheurer, C.: Experiment, Data, And ... Then? Closing the Loop in Catalysis Research. FHI - ICAT Joint Symposium 2024, Berlin, Germany (2024)