The electrochemical stability of lithium-metal oxides against metal reduction

被引:17
作者
Ceder, G [1 ]
Aydinol, MK [1 ]
机构
[1] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA
关键词
lithium batteries; intercalation; first-principles calculation;
D O I
10.1016/S0167-2738(98)00090-3
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
The possibility of metal reduction during the charging of secondary lithium batteries with LixMO2 cathodes is investigated. Loss of active material due to metal reduction can be one of the causes of capacity decay in these batteries after repeated charging. First principles methods are used to calculate the metal reduction potentials in layered LixMO2 compounds where M = Ti, V, Mn, Fe, Co or Ni. It is found that, for several of these compositions, the metal ions may preferably reduce before the lithium ion during charging. (C) 1998 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:151 / 157
页数:7
相关论文
共 37 条
[1]   Cobalt dissolution in LiCoO2-based non-aqueous rechargeable batteries [J].
Amatucci, GG ;
Tarascon, JM ;
Klein, LC .
SOLID STATE IONICS, 1996, 83 (1-2) :167-173
[2]   CoO2, the end member of the LixCoO2 solid solution [J].
Amatucci, GG ;
Tarascon, JM ;
Klein, LC .
JOURNAL OF THE ELECTROCHEMICAL SOCIETY, 1996, 143 (03) :1114-1123
[3]  
AYDINOL MK, 1997, J PHYS REV B, V56, P1354
[4]  
BENEDEK R, 1997, PHYS REV B, V56, P10708
[5]   HISTORICAL DEVELOPMENT OF SECONDARY LITHIUM BATTERIES [J].
BRANDT, K .
SOLID STATE IONICS, 1994, 69 (3-4) :173-183
[6]   Application of first-principles calculations to the design of rechargeable Li-batteries [J].
Ceder, G ;
Aydinol, MK ;
Kohan, AF .
COMPUTATIONAL MATERIALS SCIENCE, 1997, 8 (1-2) :161-169
[7]  
Ceder G, 1998, J AM CERAM SOC, V81, P517, DOI 10.1111/j.1151-2916.1998.tb02369.x
[8]  
Ceder G., 1993, Computational Materials Science, V1, P144, DOI 10.1016/0927-0256(93)90005-8
[9]   ELECTRONIC AND STRUCTURAL-PROPERTIES OF ELEMENTAL COPPER - A PSEUDOPOTENTIAL LOCAL-ORBITAL CALCULATION [J].
CHELIKOWSKY, JR ;
CHOU, MY .
PHYSICAL REVIEW B, 1988, 38 (12) :7966-7971
[10]  
deFontaine D, 1994, SOLID STATE PHYS, V47, P33