Multi-spin-state at a Li3PO4/LiCoO2 (104) interface

被引：6

作者：

Sumita, Masato ^{[1
]}

Ohno, Takahisa ^{[1
,2
,3
]}

机构：

[1] NIMS, 1-1 Namiki, Tsukuba, Ibaraki 3050044, Japan

[2] NIMS, Global Res Ctr Environm & Energy Based Nanomat Sc, 1-1 Namiki, Tsukuba, Ibaraki 3050044, Japan

[3] Univ Tokyo, Inst Ind Sci, Meguro Ku, Tokyo 1538505, Japan

来源：

PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2016年 / 18卷 / 06期

关键词：

LITHIUM COBALT OXIDE; SECONDARY BATTERIES;

D O I：

10.1039/c5cp07735d

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：

We have found the disproportion between the intermediate spin ( IS) and low spin (LS) configurations of Co atoms at a Li3PO4/LiCoO2 (104) interface through density functional molecular dynamics (DF-MD). The manifold of the spin state at the interface, however, does not affect the band alignment between the Li3PO4 and LiCoO2 regions.

引用

页码：4316 / 4319

页数：4

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