High capacity sodium-rich layered oxide cathode for sodium-ion batteries

doi:10.1088/1674-1056/27/11/118801

中国物理B ›› 2018, Vol. 27 ›› Issue (11): 118801-118801.doi: 10.1088/1674-1056/27/11/118801

• INTERDISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY • 上一篇下一篇

High capacity sodium-rich layered oxide cathode for sodium-ion batteries

Gen-Cai Guo(郭根材), Changhao Wang(王长昊), Bang-Ming Ming(明帮铭), Si-Wei Luo(罗斯玮), Heng Su(苏恒), Bo-Ya Wang(王博亚), Ming Zhang(张铭), Hai-Jun Yu(尉海军), Ru-Zhi Wang(王如志)

College of Materials Science and Engineering, Beijing University of Technology, Beijing 100124, China

收稿日期:2018-07-29 修回日期:2018-09-04 出版日期:2018-11-05 发布日期:2018-11-05
通讯作者: Hai-Jun Yu, Hai-Jun Yu E-mail:hj-yu@bjut.edu.cn;wrz@bjut.edu.cn
基金资助:
Project suppoted by the National Natural Science Foundation of China (Grant Nos. 11774017, 51761135129, and 51472010) and Beijing Municipal High Level Innovative Team Building Program, China (Grant No. IDHT20170502).

High capacity sodium-rich layered oxide cathode for sodium-ion batteries

College of Materials Science and Engineering, Beijing University of Technology, Beijing 100124, China

Received:2018-07-29 Revised:2018-09-04 Online:2018-11-05 Published:2018-11-05
Contact: Hai-Jun Yu, Hai-Jun Yu E-mail:hj-yu@bjut.edu.cn;wrz@bjut.edu.cn
Supported by:
Project suppoted by the National Natural Science Foundation of China (Grant Nos. 11774017, 51761135129, and 51472010) and Beijing Municipal High Level Innovative Team Building Program, China (Grant No. IDHT20170502).

摘要/Abstract

摘要：

Sodium-ion batteries have attracted significant recent attention currently considering the limited available lithium resource. However, the energy density of sodium-ion batteries is still insufficient compared to lithium-ion batteries, mainly because of the unavailability of high-energy cathode materials. In this work, a novel sodium-rich layered oxide material (Na₂MnO₃) is reported with a dynamical stability similar to that of the Li₂MnO₃ structure and a high capacity of 269.69 mA·h·g¹, based on first-principles calculations. Sodium ion de-intercalation and anionic reaction processes are systematically investigated, in association with sodium ions migration phenomenon and structure stability during cycling of Na_xMnO₃ (1 ≤ x ≤ 2). In addition, the charge compensation during the initial charging process is mainly contributed by oxygen, where the small differences of the energy barriers of the paths 2c→4h, 4h→2c, 4h→4h, 2c→2b, and 4h→2b indicate the reversible sodium ion occupancy in transitional metal and sodium layers. Moreover, the slow decrease of the elastic constants is a clear indication of the high cycle stability. These results provide a framework to exploit the potential of sodium-rich layered oxide, which may facilitate the development of high-performance electrode materials for sodium-ion batteries.

关键词: sodium-rich layered oxides, first-principles calculations, sodium-ion diffusion

Abstract:

Key words: sodium-rich layered oxides, first-principles calculations, sodium-ion diffusion

中图分类号: (Batteries)

88.80.ff

71.15.Mb (Density functional theory, local density approximation, gradient and other corrections) 71.15.Nc (Total energy and cohesive energy calculations) 71.20.Dg (Alkali and alkaline earth metals)

郭根材, 王长昊, 明帮铭, 罗斯玮, 苏恒, 王博亚, 张铭, 尉海军, 王如志. High capacity sodium-rich layered oxide cathode for sodium-ion batteries[J]. 中国物理B, 2018, 27(11): 118801-118801.

Gen-Cai Guo(郭根材), Changhao Wang(王长昊), Bang-Ming Ming(明帮铭), Si-Wei Luo(罗斯玮), Heng Su(苏恒), Bo-Ya Wang(王博亚), Ming Zhang(张铭), Hai-Jun Yu(尉海军), Ru-Zhi Wang(王如志). High capacity sodium-rich layered oxide cathode for sodium-ion batteries[J]. Chin. Phys. B, 2018, 27(11): 118801-118801.

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High capacity sodium-rich layered oxide cathode for sodium-ion batteries

High capacity sodium-rich layered oxide cathode for sodium-ion batteries

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