Theoretical calculation assisted materials screening of BiOX (X = F, Cl, Br, I) for electrochemical absorption of cesium ions

Author:

Lin Dongcheng1234ORCID,Zhang Huixin1234,An Xiaowei5678,Chang Lutong1234,Alameen Ayman1234,Ding Shengqi1234,Du Xiao1234ORCID,Hao Xiaogang1234ORCID

Affiliation:

1. Department of Chemical Engineering

2. Taiyuan University of Technology

3. Taiyuan 030024

4. P. R. China

5. Graduate School of Science and Technology

6. Hirosaki University

7. Hirosaki 036-8560

8. Japan

Abstract

This study provides a theoretical method to predict the ESIX performance of a certain material, which can provide guidance for the design of new and efficient electroactive materials.

Funder

National Natural Science Foundation of China

International Science and Technology Cooperation Programme

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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