Atomistic modeling of bulk and grain boundary diffusion in solid electrolyte Li${}_6$PS${}_5$Cl using machine-learning interatomic potentials

Yongliang Ou, Yuji Ikeda, Lena Scholz +3

Li${}_6$PS${}_5$Cl is a promising candidate for the solid electrolyte in all-solid-state Li-ion batteries. In applications, this material is in a polycrystalline state with grain bound…