A computational study on bifunctional 1T-MnS2 with an adsorption-catalysis effect for lithium–sulfur batteries

Author:

Duan Shaorong1ORCID,Liu Mingyi1,Cao Chuanzhao1,Liu Haitao2ORCID,Ye Meng3ORCID,Duan Wenhui4567

Affiliation:

1. Huaneng Clean Energy Research Institute, Beijing 102209, China

2. Laboratory of Computational Physics, Institute of Applied Physics and Computational Mathematics, Beijing 100088, China

3. Graduate School of China Academy of Engineering Physics, Beijing 100193, China

4. State Key Laboratory of Low Dimensional Quantum Physics and Department of Physics, Tsinghua University, Beijing 100084, China

5. Institute for Advanced Study, Tsinghua University, Beijing 100084, China

6. Frontier Science Center for Quantum Information, Beijing 100084, China

7. Collaborative Innovation Center of Quantum Matter, Beijing 100084, China

Abstract

1T-MnS2 exhibits excellent adsorption-catalysis activity for Li–S batteries, which can enhance the adsorption for polysulfides and accelerate the oxidation of Li2S and sulfur reduction reaction.

Funder

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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