Experimental and computational study of the electronic structural changes in LiTi2O4 spinel compounds upon electrochemical Li insertion reactions

被引：40

作者：

Ra, WY ^{[1
]}

Nakayama, M ^{[1
]}

Uchimoto, Y ^{[1
]}

Wakihara, M ^{[1
]}

机构：

[1] Tokyo Inst Technol, Grad Sch Sci & Engn, Dept Appl Chem, Meguro Ku, Ookayama 2-12-1, Tokyo 1528552, Japan

来源：

JOURNAL OF PHYSICAL CHEMISTRY B | 2005年 / 109卷 / 03期

关键词：

D O I：

10.1021/jp040499+

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：

Electronic structural changes in LiTi2O4 spinel compounds upon electrochemical lithium insertions were investigated by X-ray absorption spectroscopy (XAS) measurements and first principles calculations based on spin-polarized density functional theory. Ti K-edge, O K-edge XAS spectra and theoretical calculations indicate that oxide ions as well as titanium ions are involved in electronic structural changes caused by electrochemical lithium ion insertions. The considerable effect of the oxide ions in the early 3d transition metal (titanium) oxide system is discussed in this article.

引用

页码：1130 / 1134

页数：5

共 38 条

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