Reaction energy for LiMn2O4 spinel dissolution in acid

被引：80

作者：

Benedek, R ^{[1
]}

Thackeray, MM ^{[1
]}

机构：

[1] Argonne Natl Lab, Div Chem Engn, Argonne, IL 60439 USA

来源：

ELECTROCHEMICAL AND SOLID STATE LETTERS | 2006年 / 9卷 / 06期

关键词：

D O I：

10.1149/1.2188071

中图分类号：

O646 [电化学、电解、磁化学];

学科分类号：

081704 ;

摘要：

The dissolution of LiMn2O4 spinel in acid is a serious impediment to its use as a cathode material in Li batteries. In this paper, the free energy difference between reactants and products that drives the dissolution reaction is calculated using first principles methods for solid phases, and literature values for the solvation free energies of H, Li, and Mn ions and water molecules. We find that the dissolution reaction is endothermic in the absence of acid and exothermic in acid. Doping with Li on the Mn sublattice lowers the magnitude of the reaction energy Delta G by an amount proportional to the dilution of trivalent Mn in the host, thus confirming the role of disproportionation in the dissolution reaction.

引用

页码：A265 / A267

页数：3

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