Li+ ion transport in select lithium-rich antiperovskites.

摘要

Lithium-Rich Antiperovskites (LiRAPs) have been shown to possess relatively high ionic conductivity at room temperature, and become superionic conductors at elevated temperatures. These materials generally have a stoichiometry Li3BX, where B is a doubly deficient anion, and X is a monovalent anion. Ideally they belong to the high symmetry space group Pm-3¯m where lithium atoms occupy octahedral corners, B anions occupy octahedral centers, and X anions occupy the interstitial centers between the octahedra. LiRAPs were synthesized using several different methods and characterized by XRD, EIS, DSC, TGA, FTIR, and INS techniques. Chemical analyses were performed to determine the stoichiometries of the base compounds Li 3OCl, Li2(OH)Cl, and Li2(OH)Br. Ionic conductivities range from 2 x 10-5 S/cm to 2 x 10-9 S/cm at room temperature, and activation energies of Li+ diffusion range from 0.49 eV to 1.02 eV.