Low-temperature paddlewheel effect in glassy solid electrolytes.

ABSTRACT: Glasses are promising electrolytes for use in solid-state batteries. Nevertheless, due to their amorphous structure, the mechanisms that underlie their ionic conductivity remain poorly understood. Here, ab initio molecular dynamics is used to characterize migration processes in the prototype glass, 75Li₂S-25P₂S₅. Lithium migration occurs via a mechanism that combines concerted motion of lithium ions with large, quasi-permanent reorientations of PS₄^3- anions. This latter effect, known as the 'paddlewheel' mechanism, is typically observed in high-temperature crystalline polymorphs. In contrast to the behavior of crystalline materials, in the glass paddlewheel dynamics contribute to Lithium-ion mobility at room temperature. Paddlewheel co

SUBMITTER: Smith JG 

PROVIDER: S-EPMC7083903 | biostudies-literature | 2020 Mar

REPOSITORIES: biostudies-literature