Machine learning assisted molecular dynamics of charge-transfer mechanisms at Li/Ga-doped Li${}_7$La${}_3$Zr${}_2$O${}_{12}$ (LLZO) interfaces

Arseniy S. Burov, Artem M. Abakumov, Dmitry A. Aksyonov

Interfacial charge transfer between solid electrolytes (SEs) and Li metal is a key factor limiting all-solid-state battery performance. Conventional density functional theory and n…