Dynamic Monte Carlo simulations of diffusion in LiyMn2O4

被引：53

作者：

Darling, R ^{[1
]}

Newman, J

机构：

[1] Univ Calif Berkeley, Lawrence Berkeley Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA

[2] Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA

来源：

JOURNAL OF THE ELECTROCHEMICAL SOCIETY | 1999年 / 146卷 / 10期

关键词：

D O I：

10.1149/1.1392547

中图分类号：

O646 [电化学、电解、磁化学];

学科分类号：

081704 ;

摘要：

Monte Carlo techniques are used to simulate the thermodynamics and diffusion of Li in the intercalation compound LiyMn2O4.. Results are presented for stoichiometric LiyMn2O4 and for Li-rich LiyMn2O4 containing pinned Li. The predicted theoretical open-circuit potential compares favorably with literature results. The influence of Li-Li interactions on the activation energy leads to a diffusion coefficient that depends upon concentration. The diffusion coefficient is interpreted in terms of a thermodynamic factor and a binary interaction parameter. (C) 1999 The Electrochemical Society. S0013-4651(99)04-094-X. All rights reserved.

引用

页码：3765 / 3772

页数：8

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