Solving the Structure of Li Ion Battery Materials with Precession Electron Diffraction: Application to Li2CoPO4F

被引：50

作者：

Hadermann, Joke ^{[1
]}

Abakumov, Artem M. ^{[1
]}

Turner, Stuart ^{[1
]}

Hafideddine, Zainab ^{[1
]}

Khasanova, Nellie R. ^{[2
]}

Antipov, Evgeny V. ^{[2
]}

Van Tendeloo, Gustaaf ^{[1
]}

机构：

[1] Univ Antwerp, B-2020 Antwerp, Belgium

[2] Moscow MV Lomonosov State Univ, Dept Chem, Moscow 119991, Russia

来源：

CHEMISTRY OF MATERIALS | 2011年 / 23卷 / 15期

基金：

俄罗斯基础研究基金会;

关键词：

lithium; battery material; precession electron diffraction; crystal structure; AB-INITIO DETERMINATION; METAL-OXIDE; CATHODE; HEAVY; FRAMEWORK; SYSTEM;

D O I：

10.1021/cm201257b

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 crystal structure of the Li2CoPO4F high-voltage cathode for Li ion rechargeable batteries has been completely solved from precession electron diffraction (PED) data, including the location of the Li atoms. The crystal structure consists of infinite chains of CoO4F2 octahedra sharing common edges and linked into a 3D framework by PO4 tetrahedra. The chains and phosphate anions together delimit tunnels filled with the Li atoms. This investigation demonstrates that PED can be successfully applied for obtaining structural information on a variety of Li-containing electrode materials even from single micrometer-sized crystallites.

引用

页码：3540 / 3545

页数：6

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