Theoretical Analysis of Interactions between Potassium Ions and Organic Electrolyte Solvents: A Comparison with Lithium, Sodium, and Magnesium Ions

被引：312

作者：

Okoshi, Masaki ^{[1
,2
]}

Yamada, Yuki ^{[1
,3
]}

Komaba, Shinichi ^{[1
,4
]}

Yamada, Atsuo ^{[1
,3
]}

Nakai, Hiromi ^{[1
,2
,5
,6
]}

机构：

[1] Kyoto Univ, ESICB, Kyoto 6158245, Japan

[2] Waseda Univ, RISE, Tokyo 1698555, Japan

[3] Univ Tokyo, Dept Chem Syst Engn, Tokyo 1138656, Japan

[4] Tokyo Univ Sci, Dept Appl Chem, Tokyo 1628601, Japan

[5] Waseda Univ, Dept Chem & Biochem, Tokyo 1698555, Japan

[6] Japan Sci & Technol Agcy, CREST, Kawaguchi, Saitama 3320012, Japan

来源：

JOURNAL OF THE ELECTROCHEMICAL SOCIETY | 2017年 / 164卷 / 02期

关键词：

CORRELATED MOLECULAR CALCULATIONS; GAUSSIAN-BASIS SETS; ELECTROCHEMICAL PROPERTIES; INTERFACE; SOLVATION; GRAPHITE; SALTS;

D O I：

10.1149/2.0211702jes

中图分类号：

O646 [电化学、电解、磁化学];

学科分类号：

081704 ;

摘要：

Ion-solvent interactions play a crucial role in secondary battery systems: the desolvation of ions at an electrode/electrolyte interface can be the rate-determining step of a battery reaction, for instance. The present theoretical study investigates the interactions between K ions and organic electrolyte solvents for application in non-aqueous K-ion batteries, which have recently drawn interest as novel rechargeable batteries. Compared to Li, Na, and Mg ions, K ions display the lowest interaction energy, reflecting the large ionic radius and weak Lewis acidity of K. The weak interaction of K ions with solvents is consistent with the high rate capability exhibited by K-ion batteries and the relatively low solubility of K-ion salts observed experimentally. (C) 2016 The Electrochemical Society.

引用

页码：A54 / A60

页数：7

共 30 条

[1] Lithium-ion transfer at the interface between lithium-ion conductive ceramic electrolyte and liquid electrolyte - A key to enhancing the rate capability of lithium-ion batteries [J].