New insights into the mechanism of cation migration induced by cation–anion dynamic coupling in superionic conductors

Author:

Wu Siyuan12,Xiao Ruijuan123ORCID,Li Hong123ORCID,Chen Liquan123

Affiliation:

1. Beijing Advanced Innovation Center for Materials Genome Engineering, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China

2. School of Physical Sciences, University of Chinese Academy of Sciences, Beijing, 100049, China

3. Yangtze River Delta Physics Research Center Co. Ltd, Liyang 213300, China

Abstract

We analyze the relationship between cations and anion groups and take LiBF4/Li2BF5 as an example. The smaller distance between Li atoms in Li2BF5 indicates that it has little dependence on the rotation of anion groups while LiBF4 needs a larger rotation angle.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science,Renewable Energy, Sustainability and the Environment,General Chemistry

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