Halogen-doping in LiCoO2 cathode materials for Li-ion batteries: insights from ab initio calculations-Reference-Cited by-同舟云学术

Halogen-doping in LiCoO2 cathode materials for Li-ion batteries: insights from ab initio calculations

Published:2015 Issue:130 Volume:5 Page:107326-107332
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Li Guobao¹²³⁴⁵,Zhou Si¹²³⁴⁵,Wang Peng¹²³⁴⁵,Zhao Jijun¹²³⁴⁵

Affiliation:

1. Key Laboratory of Materials Modification by Laser

2. Ion and Electron Beams (Dalian University of Technology)

3. Ministry of Education

4. Dalian 116024

5. China

Abstract

Using density functional theory calculations, we investigate the effects of halogen doping on the structural stability, electronic state, electrode potential, and Li diffusion behavior of LiCoO₂ systems.

Funder

National Natural Science Foundation of Jiangsu Province

China Postdoctoral Science Foundation

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2015/RA/C5RA21258H

Reference55 articles.

1. LixCoO2 (0

2. Electrochemical and In Situ X‐Ray Diffraction Studies of Lithium Intercalation in Li x CoO2

3. CoO2, The End Member of the Li x CoO2 Solid Solution

4. Solid‐State Redox Reactions of LiCoO2 (R3m) for 4 Volt Secondary Lithium Cells

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