Publications of Christoph Scheurer
All genres
Journal Article (17)
Journal Article
159 (2), 024129 (2023)
A fuzzy classification framework to identify equivalent atoms in complex materials and molecules. The Journal of Chemical Physics
Journal Article
158 (22), 224115 (2023)
Black box vs gray box: Comparing GAP and GPrep-DFTB for ruthenium and ruthenium oxide. The Journal of Chemical Physics
Journal Article
6 (1), 113 (2023)
Electrolyte contact changes nano-Li4Ti5O12 bulk properties via surface polarons. Communications Chemistry
Journal Article
444, 141966 (2023)
The intrinsic electrostatic dielectric behaviour of graphite anodes in Li-ion batteries-Across the entire functional range of charge. Electrochimica Acta
Journal Article
6 (2), pp. 112 - 121 (2023)
Exploring catalytic reaction networks with machine learning. Nature Catalysis
Journal Article
14 (19), e202200300 (2022)
Sr Surface Enrichment in Solid Oxide Cells – Approaching the Limits of EDX Analysis by Multivariate Statistical Analysis and Simulations. ChemCatChem
Journal Article
12 (17), 2950 (2022)
Tackling Structural Complexity in Li2 S-P2S5 Solid-State Electrolytes Using Machine Learning Potentials. Nanomaterials
Journal Article
12 (17), 2912 (2022)
Exploiting Nanoscale Complexion in LATP Solid-State Electrolyte via Interfacial Mg2+ Doping. Nanomaterials
Journal Article
15 (10), e202200015 (2022)
Epitaxial Core-Shell Oxide Nanoparticles: First-Principles Evidence for Increased Activity and Stability of Rutile Catalysts for Acidic Oxygen Evolution. ChemSusChem
Journal Article
433 (1), 134121 (2022)
A model-free sparse approximation approach to robust formal reaction kinetics. Chemical Engineering Journal
Journal Article
4 (11), pp. 12562 - 12569 (2021)
On the Role of Long-Range Electrostatics in Machine-Learned Interatomic Potentials for Complex Battery Materials. ACS Applied Energy Materials
Journal Article
14 (21), 6633 (2021)
Accessing Structural, Electronic, Transport and Mesoscale Properties of Li-GICs via a Complete DFTB Model with Machine-Learned Repulsion Potential. Materials
Journal Article
8 (18), 2100967 (2021)
Complexions at the Electrolyte/Electrode Interface in Solid Oxide Cells. Advanced Materials Interfaces
Journal Article
4 (8), pp. 8583 - 8591 (2021)
Polaron-Assisted Charge Transport in Li-Ion Battery Anode Materials. ACS Applied Energy Materials
Journal Article
11 (26), 2100707 (2021)
Nano-Scale Complexions Facilitate Li Dendrite-Free Operation in LATP Solid-State Electrolyte. Advanced Energy Materials
Journal Article
11 (8), pp. 4920 - 4928 (2021)
True Nature of the Transition-Metal Carbide/Liquid Interface Determines Its Reactivity. ACS Catalysis
Journal Article
103 (1), pp. 1331 - 1337 (2021)
Visualizing the Atomic Structure Between YSZ and LSM: An Interface Stabilized by Complexions? ECS Transactions Talk (6)
Talk
Reshaping Catalysts. LINXS Catalysis Workshop, Lund, Sweden (2022)
Talk
A Closer Look at the OER Catalyst in Solid-Oxide Electrolyzer Cells. FHI-Workshop on Current Research at the Interface of Physics and Chemistry, Potsdam, Germany (2022)
Talk
Theoretical Stability Descriptors for PEM OER Catalysts. 5th International Workshop On Degradation Issues of Fuel Cells and Electrolysers, Corfu, Greece (2022)