文献类型：期刊文献

英文题名：Correlation between the Stability of Redox Shuttles in Li Ion Cells and the Reactivity Defined by the Binding Energy of Redox Shuttle Cations with Ethyl Radical

作者：Chen, J. -H.[1];He, L. -M.[1];Wang, R. L.[1]

机构：[1]E China Univ Sci & Technol, Dept Phys, Shanghai 200237, Peoples R China

年份：2012

卷号：159

期号：10

起止页码：A1636

外文期刊名：JOURNAL OF THE ELECTROCHEMICAL SOCIETY

收录：;EI(收录号：20131416171191);WOS:【SCI-EXPANDED(收录号:WOS:000309105500010)】；

语种：英文

外文关键词：Lithium - Molecules - Positive ions - Binding energy

摘要：In the process of searching for stable redox shuttles for overcharge protection in Li ion cells, Wang and Dahn have developed a computational model to study the stability of the redox shuttles. In this model the reactivity of a redox shuttle, defined by the binding energy E-b(ER) of the redox shuttle cation in a model reaction with the ethyl radical, ER, is used to relate to the stability of the redox shuttle. In this work, we will present the correlation of the calculated E-b(ER) values with the experimental stability of redox shuttles in Li ion cells for three categories of molecules: the benzene derivatives, the 10-methylphenothiazine (MPT) - like molecules and the molecules with a nitrogen atom as the redox center. (C) 2012 The Electrochemical Society. [DOI: 10.1149/2.034210jes] All rights reserved.