Correlating Li+ Solvation Sheath Structure with Interphasial Chemistry on Graphite

被引：141

作者：

Cresce, Arthur von Wald ^{[1
]}

Borodin, Oleg ^{[1
]}

Xu, Kang ^{[1
]}

机构：

[1] USA, Electrochem Branch, Power & Energy Div, Sensor & Elect Devices Directorate,Res Lab, Adelphi, MD 20783 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY C | 2012年 / 116卷 / 50期

关键词：

PROPYLENE CARBONATE; GRAPHITE/ELECTROLYTE INTERFACE; ELECTROLYTE SOLVATION; ETHYLENE CARBONATE; LITHIUM; ION; REDUCTION; EC;

D O I：

10.1021/jp303610t

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：

In electrolytes with unique electrochemical signature, the structure of Li+ solvation sheath was quantitatively analyzed in correlation with its electrochemical behavior on graphitic anodes. For the first time, a direct link between Li+ solvation sheath structure and formation chemistry of the solid electrolyte interphase (SEI) is established. Quantum chemistry calculations and molecular dynamics simulations were performed to explain the observed reversed preference of propylene carbonate (PC) over ethylene carbonate (EC) by Li+.

引用

页码：26111 / 26117

页数：7

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