Comparative Molecular Dynamics Study of the Roles of Anion-Cation and Cation-Cation Correlation in Cation Diffusion in Li2B12H12 and LiCB11H12

Sau, K; Ikeshoji, T; Kim, S; Takagi, S; Orimo, SI

Sau, K (corresponding author), Tohoku Univ, Adv Inst Mat Res AIMR, Natl Inst Adv Ind Sci & Technol AIST, Math Adv Mat Open Innovat Lab MathAM OIL, Sendai, Miyagi 9808577, Japan.

CHEMISTRY OF MATERIALS, 2021; 33 (7): 2357

Abstract

Complex hydrides are potential candidates for the solid electrolyte of all-solid-state batteries owing to their high ionic conductivities in which ico......

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