Comparative molecular dynamics study of the roles of anion−cation and cation−cation correlation in cation diffusion in Li2B12H12 and LiCB11H12

Author

Kartik Sau, Tamio Ikeshoji, Sangryun Kim, Shigeyuki Takagi, Shin-ichi Orimo

Journal

Chemistry of Materials

Vol

33

Page

2357-2369, 2021

Year

2021

Link

https://pubs.acs.org/doi/full/10.1021/acs.chemmater.0c04473?casa_token…