Artificial Intelligence-Aided Mapping of the Structure-Composition-Conductivity Relationships of Glass-Ceramic Lithium Thiophosphate Electrolytes.

ABSTRACT: Lithium thiophosphates (LPSs) with the composition (Li₂S) _x (P₂S₅)_1-x are among the most promising prospective electrolyte materials for solid-state batteries (SSBs), owing to their superionic conductivity at room temperature (>10^-3 S cm^-1), soft mechanical properties, and low grain boundary resistance. Several glass-ceramic (gc) LPSs with different compositions and good Li conductivity have been previously reported, but the relationship among composition, atomic structure, stability, and Li conductivity remains unclear due to the challenges in characterizing noncrystalline phases in experiments or simulations. Here, we mapped the LPS phase diagram by combining first-principles and artificial

SUBMITTER: Guo H 

PROVIDER: S-EPMC9367015 | biostudies-literature | 2022 Aug

REPOSITORIES: biostudies-literature