Experimental and computational study of the structure and electrochemical properties of monoclinic LixM2(PO4)3 compounds

被引：81

作者：

Morgan, D

Ceder, G

Saïdi, MY

Barker, J

Swoyer, J

Huang, H

Adamson, G

机构：

[1] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA

[2] Computat Modeling Consultants, Wellesley, MA USA

[3] Valence Technol Inc, Henderson, NV USA

来源：

JOURNAL OF POWER SOURCES | 2003年 / 119卷

关键词：

LixM2(PO4)(3); NASICON; Li-battery;

D O I：

10.1016/S0378-7753(03)00216-7

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：

This paper presents a combined computational and experimental study of the structural and electrochemical properties of monoclinic LixM2(PO4)(3) (with a focus on M = V). The voltage curve for x = 0-3 Li is measured experimentally and calculated. Features of the voltage curve are understood as emerging from site energetics, Li ordering, and redox couples. These features are found to be largely independent of alloying and a simple additive model is proposed to analyze the voltage curve for different cation substitutions. The model is shown to be very useful for understanding experimental results for a number of substituted compounds. (C) 2003 Elsevier Science B.V. All rights reserved.

引用

页码：755 / 759

页数：5

共 21 条

[1] HEAT-CAPACITY AND NA+ ION DISORDER IN NASICON-TYPE SOLID ELECTROLYTES NA3M2P3O12 (M2 = FE2, CR-2, ZRMG) IN THE TEMPERATURE-RANGE 10 TO 300 K [J].