Publications of Christoph Scheurer
All genres
Journal Article (17)
2023
Journal Article
K.C. Lai, S. Matera, C. Scheurer and K. Reuter: A fuzzy classification framework to identify equivalent atoms in complex materials and molecules. The Journal of Chemical Physics 159 (2), 024129 (2023).
Journal Article
C. Panosetti, Y. Lee, A. Samtsevych and C. Scheurer: Black box vs gray box: Comparing GAP and GPrep-DFTB for ruthenium and ruthenium oxide. The Journal of Chemical Physics 158 (22), 224115 (2023).
Journal Article
, , , , R. Schlögl, , C. Scheurer and : Electrolyte contact changes nano-Li4Ti5O12 bulk properties via surface polarons. Communications Chemistry 6 (1), 113 (2023).
Journal Article
S. Anníes, C. Scheurer and C. Panosetti: The intrinsic electrostatic dielectric behaviour of graphite anodes in Li-ion batteries-Across the entire functional range of charge. Electrochimica Acta 444, 141966 (2023).
Journal Article
J. Margraf, , C. Scheurer and K. Reuter: Exploring catalytic reaction networks with machine learning. Nature Catalysis 6 (2), 112–121 (2023).
2022
Journal Article
H. Türk, T. Götsch, F. Schmidt, A. Hammud, D. Ivanov, , , , R. Schlögl, K. Reuter, A. Knop-Gericke, T. Lunkenbein and C. Scheurer: Sr Surface Enrichment in Solid Oxide Cells – Approaching the Limits of EDX Analysis by Multivariate Statistical Analysis and Simulations. ChemCatChem 14 (19), e202200300 (2022).
Journal Article
C. Staacke, T. Huss, J. Margraf, K. Reuter and C. Scheurer: Tackling Structural Complexity in Li2 S-P2S5 Solid-State Electrolytes Using Machine Learning Potentials. Nanomaterials 12 (17), 2950 (2022).
Journal Article
, K. Reuter and C. Scheurer: Exploiting Nanoscale Complexion in LATP Solid-State Electrolyte via Interfacial Mg2+ Doping. Nanomaterials 12 (17), 2912 (2022).
Journal Article
Y. Lee, C. Scheurer and K. Reuter: 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).
Journal Article
F. Felsen, K. Reuter and C. Scheurer: A model-free sparse approximation approach to robust formal reaction kinetics. Chemical Engineering Journal 433 (1), 134121 (2022).
2021
Journal Article
C. Staacke, H. Heenen, C. Scheurer, , K. Reuter and 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).
Journal Article
, C. Panosetti, , , and C. Scheurer: 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).
Journal Article
H. Türk, F. Schmidt, T. Götsch, F. Girgsdies, A. Hammud, D. Ivanov, , , , K. Reuter, R. Schlögl, A. Knop-Gericke, C. Scheurer and T. Lunkenbein: Complexions at the Electrolyte/Electrode Interface in Solid Oxide Cells. Advanced Materials Interfaces 8 (18), 2100967 (2021).
Journal Article
, C. Scheurer and : Polaron-Assisted Charge Transport in Li-Ion Battery Anode Materials. ACS Applied Energy Materials 4 (8), 8583–8591 (2021).
Journal Article
, , , , , , S. Wengert, , , K. Reuter, and C. Scheurer: Nano-Scale Complexions Facilitate Li Dendrite-Free Operation in LATP Solid-State Electrolyte. Advanced Energy Materials 11 (26), 2100707 (2021).
Journal Article
, , , , , , T. Götsch, , , , , D. Egger, C. Scheurer, K. Reuter and : True Nature of the Transition-Metal Carbide/Liquid Interface Determines Its Reactivity. ACS Catalysis 11 (8), 4920–4928 (2021).
Journal Article
T. Götsch, H. Türk, F. Schmidt, , , R. Schlögl, K. Reuter, , A. Knop-Gericke, C. Scheurer and T. Lunkenbein: Visualizing the Atomic Structure Between YSZ and LSM: An Interface Stabilized by Complexions? ECS Transactions 103 (1), 1331–1337 (2021).