Lithium insertion into V6O13 studied by deformation electron density refinement of single-crystal x-ray data

被引：30

作者：

Bergstrom, I ^{[1
]}

Gustafsson, T ^{[1
]}

Thomas, JO ^{[1
]}

机构：

[1] Uppsala Univ, Angstrom Lab, SE-75121 Uppsala, Sweden

来源：

SOLID STATE IONICS | 1998年 / 110卷 / 3-4期

关键词：

vanadium oxide; lithium insertion; deformation density refinements; cathode material;

D O I：

10.1016/S0167-2738(98)00143-X

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：

Deformation electron density refinement of single-crystal X-ray data has been performed for V6O13 and for one of its electrochemically lithiated phases Li2V6O13. The electron rearrangement associated with lithium insertion is extracted by subtracting the two derived electron deformation models from one another. The reduction (from nominally V5+ to V4+) Of one of the three independent vanadium atoms (V2) in the asymmetric unit can be identified, along with significant changes in the effective charges on certain of the oxygens. (C) 1998 Elsevier Science B.V. All rights reserved.

引用

页码：179 / 186

页数：8

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