Publications of Christoph Scheurer
All genres
Journal Article (20)
2024
Journal Article
7 (6), pp. 2392 - 2404 (2024)
Factors Affecting the Electron Conductivity in Single Crystal Li7La3Zr2O12 and Li7P3S11. ACS Applied Energy Materials
Journal Article
7, pp. 161 - 171 (2024)
Metastable nickel-oxygen species modulate rate oscillations during dry reforming of methane. Nature Catalysis 2023
Journal Article
127 (35), pp. 17599 - 17608 (2023)
Staged Training of Machine-Learning Potentials from Small to Large Surface Unit Cells: Efficient Global Structure Determination of the RuO2(100)-c(2 × 2) Reconstruction and (410) Vicinal. The Journal of Physical Chemistry C
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 2022
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 2021
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