2024
DOI: 10.1063/5.0222015
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Li diffusion in oxygen–chlorine mixed anion borosilicate glasses using a machine-learning simulation

Shingo Urata,
Noriyoshi Kayaba

Abstract: Lithium-ion conducting borate glasses are suitable for solid-state batteries as an interfacial material between a crystalline electrolyte and an electrode, thanks to their superior formability. Chlorine has been known to improve the electron conductivity of borate glasses as a secondary anion. To examine the impact of chlorine on lithium dynamics, molecular dynamics (MD) simulations were performed with a machine-learning interatomic potential (MLIP). The accuracy of the MLIP in modeling chlorine-doped lithium … Show more

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