Temperature-Dependent Li-Ion Transport in Lithium Lanthanum Titanates Electrolytes
Abstract
A shift of Li+ ion hopping mechanisms with temperature in solid-state lithium lanthanum titanates (LLTO) electrolytes was discovered using ab-initio metadynamics simulations. The low-temperature potential-energy barriers were calculated for pristine, nitrogen-doped, vacancy-containing LLTO, revealing nitrogen dopants in the La-poor layer and oxygen vacancies as the key factors to enhanced ionic conductivity.
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