Design Principles for Aqueous Na-Ion Battery Cathodes

被引：39

作者：

Guo, Xingyu ^{[1
]}

Wang, Zhenbin ^{[2
]}

Deng, Zhi ^{[2
]}

Wang, Bo ^{[3
]}

Chen, Xi ^{[3
]}

Ong, Shyue Ping ^{[2
]}

机构：

[1] Univ Calif San Diego, Mat Sci & Engn Program, La Jolla, CA 92093 USA

[2] Univ Calif San Diego, Dept NanoEngn, La Jolla, CA 92093 USA

[3] GEIRI North Amer, San Jose, CA 95134 USA

来源：

CHEMISTRY OF MATERIALS | 2020年 / 32卷 / 16期

基金：

美国国家科学基金会;

关键词：

POSITIVE ELECTRODE MATERIAL; SODIUM-ION; AB-INITIO; CYCLING STABILITY; INTERCALATION; PERFORMANCE; NA0.44MNO2; NA2FEP2O7; INSERTION; VOLTAGE;

D O I：

10.1021/acs.chemmater.0c01582

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Here, we develop design rules for aqueous sodium-ion battery cathodes through a comprehensive density functional theory study of the working potential and aqueous stability of known cathode materials. These design rules were applied in a high-throughput screening of Na-ion battery cathode materials for application in aqueous electrolytes. Five promising cathode materials, NASICON-Na3F2(PO4)(3), Na2FePO4F, Na3FeCO3PO4, alluadite-Na2Fe3(PO4)(3), and Na3MnCO3PO4, were identified as hitherto-unexplored aqueous sodium-ion battery cathodes, with high voltage, good capacity, high stability in aqueous environments, and facile Na-ion migration. These findings pave the way for practical cathode development for large-scale energy-storage systems based on aqueous Na-ion battery chemistry.

引用

页码：6875 / 6885

页数：11

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