Considering cell volume in dopant screening for improving Li-ion mobility in an amorphous LiPON solid-state electrolyte: an ab initio study.

ABSTRACT: Engineering of solid electrolytes of Li-ion batteries is carried out for achieving high levels of ionic conductivity and preserving low levels of electrical conductivity. Doping metallic elements into solid electrolyte materials composed of Li, P, and O is quite challenging due to instances of possible decomposition and secondary phase formation. To accelerate the development of high-performance solid electrolytes, predictions of thermodynamic phase stabilities and conductivities are necessary, as they would avoid the need to carry out exhaustive trial-and-error experiments. In this study, we demonstrated theoretical approach to increase the ionic conductivity of amorphous solid electrolyte by doping: cell volume-ionic conductivity relation. Using density functional theory (DFT) calculatio

SUBMITTER: Choi H 

PROVIDER: S-EPMC10171259 | biostudies-literature | 2023 May

REPOSITORIES: biostudies-literature