Exploring high-energy and mechanically robust anode materials based on doped graphene for lithium-ion batteries: a first-principles study

Author:

Chang Cheng12345,Yin Sha12345ORCID,Xu Jun678910ORCID

Affiliation:

1. Department of Automotive Engineering

2. School of Transportation Science and Engineering

3. Beihang University

4. Beijing

5. China

6. Department of Mechanical Engineering and Engineering Science

7. The University of North Carolina at Charlotte

8. Charlotte

9. USA

10. Vehicle Energy & Safety Laboratory (VESL)

Abstract

The adsorption of Li atoms on various types of doped graphene with substituents, including boron, nitrogen, sulfur and silicon atoms, has been theoretically investigated by first-principles calculations, based on the density functional theory.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

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