TiB4 and SrB8 monolayers: high capacity and zero strain-like anode materials for Li/Na/K/Ca ion batteries

Author:

Wang Yunxin1,Liang Sisi1,Tian Juncheng1,Duan Huixian1,Lv Ying1ORCID,Wan Lijia1,Huang Chunlai1,Wu Musheng2ORCID,Ouyang Chuying2,Hu Junping1ORCID

Affiliation:

1. Nanchang Key Laboratory of Photoelectric Conversion and Energy Storage Materials, Nanchang Institute of Technology, Nanchang 330099, China

2. Department of Physics, Laboratory of Computational Materials Physics, Jiangxi Normal University, Nanchang 330022, China

Abstract

Our first-principles calculations confirm that TiB4 and SrB8 monolayers have excellent properties as anode materials for Li/Na/K/Ca ion batteries, showing high capacity, good conductivity, low migration barriers, low open-circuit voltage, and zero-strain like behavior.

Funder

Natural Science Foundation of Jiangxi Province

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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