Ab initio study of doping effects on LiMnO2 and Li2MnO3 cathode materials for Li-ion batteries-Reference-Cited by-同舟云学术

Ab initio study of doping effects on LiMnO2 and Li2MnO3 cathode materials for Li-ion batteries

Published:2015 Issue:16 Volume:3 Page:8489-8500
ISSN:2050-7488
Container-title:Journal of Materials Chemistry A
language:en
Short-container-title:J. Mater. Chem. A

Author:

Kong Fantai¹²³⁴,Longo Roberto C.¹²³⁴,Park Min-Sik⁵⁶⁷⁸⁹,Yoon Jaegu⁵⁶⁷⁸⁹,Yeon Dong-Hee⁵⁶⁷⁸⁹,Park Jin-Hwan⁵⁶⁷⁸⁹,Wang Wei-Hua¹²³⁴,KC Santosh¹²³⁴,Doo Seok-Gwang⁵⁶⁷⁸⁹,Cho Kyeongjae¹²³⁴

Affiliation:

1. Materials Science & Engineering Dept.

2. The University of Texas at Dallas

3. Richardson

4. USA

5. Energy Lab.

6. Samsung Advanced Institute of Technology

7. Samsung Electronics

8. Yongin 446-712

9. Republic of Korea

Abstract

The influence of 10 cationic (Mg, Ti, V, Nb, Fe, Ru, Co, Ni, Cu and Al) and 2 anionic (N and F) dopants on the phase stability, redox potential, ionic and electronic conductivity of both Li₂MnO₃ and LiMnO₂ phases have been investigated using density functional theory.

Funder

Samsung

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science,Renewable Energy, Sustainability and the Environment,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2015/TA/C5TA01445J

Reference64 articles.

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