Influence of magnetic ordering and Jahn–Teller distortion on the lithiation process of LiMn2O4-Reference-Cited by-同舟云学术

Influence of magnetic ordering and Jahn–Teller distortion on the lithiation process of LiMn2O4

Published:2017 Issue:9 Volume:19 Page:6481-6486
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Liu Wei-Wei¹²³,Wang Da¹²³^ORCID,Wang Zhifan⁴⁵³,Deng Jianguo⁶⁵³⁷⁸,Lau Woon-Ming⁹¹⁰³,Zhang Yanning¹²³¹¹¹²^ORCID

Affiliation:

1. Beijing Computational Science Research Center

2. Beijing 100193

3. China

4. Chengdu Science and Technology Development Center of CAEP

5. Chengdu

6. Sichuan New Material Research Center

7. Institute of Chemical Materials

8. China Academy of Engineering Physics

9. School of Mathematics and Physics University of Science and Technology Beijing

10. Beijing 100083

11. School of Energy Science and Engineering

12. University of Electronic Science and Technology of China

Abstract

We performed extensive first-principles studies on the magnetic ordering and Jahn–Teller (JT) distortion of spinel LiMn₂O₄, a promising candidate for cathode materials in Li-ion batteries.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2017/CP/C6CP08324B

Reference63 articles.

1. Jahn-Teller structural phase transition around 280K in LiMn2O4

2. Electronic Crystallization in a Lithium Battery Material: Columnar Ordering of Electrons and Holes in the SpinelLiMn2O4

3. Magnetic characterization of λ-MnO2 and Li2Mn2O4 prepared by electrochemical cycling of LiMn2O4

4. Electronic structure, magnetic, and cohesive properties ofLixMn2O4:Theory

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