Structural transformation of Li2CoPO4F upon Li-deintercalation

被引：41

作者：

Khasanova, Nellie R. ^{[1
]}

Gavrilov, Alexey N. ^{[1
]}

Antipov, Evgeny V. ^{[1
]}

Bramnik, Kirill G. ^{[2
]}

Hibst, Hartmut ^{[2
]}

机构：

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

[2] BASF SE, D-67056 Ludwigshafen, Germany

来源：

JOURNAL OF POWER SOURCES | 2011年 / 196卷 / 01期

基金：

俄罗斯基础研究基金会;

关键词：

Lithium batteries; High-voltage cathode material; Structure transformation; CRYSTAL-STRUCTURE; NASICON STRUCTURE; CATHODE; PHOSPHATE; FRAMEWORK;

D O I：

10.1016/j.jpowsour.2010.06.086

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：

Electrochemical performance and structural properties of the high-voltage cathode material Li2CoPO4F have been investigated. The cyclic voltammetry and coulometry under potential step mode in the voltage range 3.0-5.1 V vs. Li revealed a structural transformation at potentials above 4.8 V. This transformation occurring upon Li-extraction appears to be irreversible: the subsequent Li-insertion does not result in restoration of the initial structure, but takes place within a new "modified" framework. According to the structure refinement this modification involves the mutual rotations of (CoO4F2) octahedra and (PO4) tetrahedra accompanied by the considerable unit cell expansion which is expected to enhance the Li-transport upon subsequent cycling. The new framework demonstrates a reversible Li-insertion/extraction in a solid-solution regime with stabilized discharge capacity at around 60 mAh g(-1). (C) 2010 Elsevier B.V. All rights reserved.

引用

页码：355 / 360

页数：6

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