345 citations · 807 across the 6 of their papers we have counts for
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AI-Aided Mapping of the Structure-Composition-Conductivity Relationships of Glass-Ceramic Lithium Thiophosphate Electrolytes
Haoyue Guo, Qian Wang, Alexander Urban +1
Lithium thiophosphates (LPS) with the composition (LiS)(PS) are among the most promising prospective electrolyte materials for solid-state batteries (SSBs),…
Strategies for the Construction of Machine-Learning Potentials for Accurate and Efficient Atomic-Scale Simulations
April M. Miksch, Tobias Morawietz, Johannes Kästner +2
Recent advances in machine-learning interatomic potentials have enabled the efficient modeling of complex atomistic systems with an accuracy that is comparable to that of conventio…
Potential and pH dependence of the buried interface of membrane-coated electrocatalysts
Jianzhou Qu, Alexander Urban
Semipermeable silica membranes are attractive as protective coatings for metal electrocatalysts such as platinum but their impact on the catalytic properties has not been fully und…
Hidden structural order controls Li-ion transport in cation-disordered oxides for rechargeable lithium batteries
Huiwen Ji, Alexander Urban, Daniil A. Kitchaev +8
Crystal structures play a vital role in determining materials properties. In Li-ion cathodes, the crystal structure defines the dimensionality and connectivity of interstitial site…
The electronic-structure origin of cation disorder in transition-metal oxides
Alexander Urban, Aziz Abdellahi, Stephen Dacek +2
Cation disorder is an important design criterion for technologically relevant transition-metal (TM) oxides, such as radiation-tolerant ceramics and Li-ion battery electrodes. In th…
Influence of inversion on Mg mobility and electrochemistry in spinels
Gopalakrishnan Sai Gautam, Pieremanuele Canepa, Alexander Urban +2
Magnesium oxide and sulfide spinels have recently attracted interest as cathode and electrolyte materials for energy-dense Mg batteries, but their observed electrochemical performa…