Relation between electronic structures and electrode performances of LiMn2-xZnxO4(x=0.05, 0.1) as a cathode active material for 4 V class Li secondary battery

被引：6

作者：

Ito, Y ^{[1
]}

Idemoto, Y ^{[1
]}

Tsunoda, Y ^{[1
]}

Koura, N ^{[1
]}

机构：

[1] Sci Univ Tokyo, Fac Sci & Technol, Chiba 2788510, Japan

来源：

ELECTROCHEMISTRY | 2002年 / 70卷 / 11期

关键词：

cathode; lithium manganese oxide; first-principle calculation; lithium secondary battery;

D O I：

10.5796/electrochemistry.70.847

中图分类号：

O646 [电化学、电解、磁化学];

学科分类号：

081704 ;

摘要：

The relation between cycle performance and electronic structures of LiMn2-xZnxO4 (x = 0.05, 0.1) as cathode active materials for 4 V class lithium secondary battery has been studied. The cycle performance is improved by increasing Zn content. We investigated the electronic states of lithium manganese spinels (LiMn2O4 and LiMn1.75Zn0.25O4) using first-principles calculation by DV-Xa method. The net charges of each atom, the bond overlap populations of Li-O, Mn-O and Zn-O, and DOS were calculated. Li ionicity keeps high. The cobalent bonding of Mn-O of LiMn1.75Zn0.25O4 is stronger than that of LiMn2O4.

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页码：847 / 849

页数：3

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