Towards the understanding of poor electrochemical activity of triclinic LiVOPO4: Experimental characterization and theoretical investigations

被引：61

作者：

Yang, Yong ^{[1
]}

Fang, Haisheng ^{[1
]}

Zheng, Jing ^{[1
]}

Li, Liping ^{[1
]}

Li, Guangshe ^{[1
]}

Yan, Guofeng ^{[1
]}

机构：

[1] Chinese Acad Sci, Fujian Inst Res Struct Matter, State Key Lab Struct Chem, Grad Sch, Fuzhou 350002, Peoples R China

来源：

SOLID STATE SCIENCES | 2008年 / 10卷 / 10期

关键词：

LiVOPO4; DFT; Bandgap; Conduction; Electrochemical performance;

D O I：

10.1016/j.solidstatesciences.2008.01.028

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

This work addresses the origin of the poor electrochemical activity of triclinic LiVOPO4. Sample characterization using X-ray diffraction (XRD), Fourier transform infrared (FT-IR) spectroscopy, and magnetic measurements indicated the formation of a pure triclinic phase of LiVOPO4. Diffuse reflectance spectra analysis along with a density functional theory (DFT) calculation showed that triclinic LiVOPO4 is a wide bandgap semiconductor which is confirmed by a very large resistance measured using AC impedance technique. All these experimental characterization and theoretical investigations suggest that the poor electrochemical performance of the triclinic LiVOPO4 is primarily associated with its extremely low intrinsic electronic conductivity. (C) 2008 Elsevier Masson SAS. All rights reserved.

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收藏

页码：1292 / 1298

页数：7

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