Transport in Lithium Garnet Oxides as Revealed by Atomistic Simulations

W Lai, ANNUAL REVIEW OF MATERIALS RESEARCH, 52, 305-330 (2022).

DOI: 10.1146/annurev-matsci-081720-115334

Lithium garnet oxides are a family of fast-ion conductors with appreciable lithium ionic conductivity in the solid state, making them promising candidates as electrolytes for all-solid-state batteries. In their structures, lithium is partially (along with vacancy) distributed among more than one crystallographically distinct sites, just as with other fast-ion conductors. This disorder has a great influence on lithium's transport properties such as diffusivity and ionic conductivity. We review atomistic simulation studies in conjunction with complementary experimental investigations, which offer atomic-scale visualization of and insight into lithium transport phenomena in lithium garnet oxides.

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