Electronic properties of Mo-doped cylindrical and scroll-like divanadium pentoxide nanotubes

被引：14

作者：

Enyashin, AN ^{[1
]}

Ivanovskaya, VV ^{[1
]}

Makurin, YN ^{[1
]}

Volkov, VL ^{[1
]}

Ivanovskii, AL ^{[1
]}

机构：

[1] Russian Acad Sci, Ural Branch, Inst Solid State Chem, Ekaterinburg 620219, Russia

来源：

CHEMICAL PHYSICS LETTERS | 2004年 / 392卷 / 4-6期

基金：

俄罗斯基础研究基金会;

关键词：

D O I：

10.1016/j.cplett.2004.05.115

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：

Atomic models of molybdenum-doped divanadium pentoxide (V1.9Mo0.1O5) nanotubes with cylindrical as well as with scroll-like morphology are presented and their electronic properties are studied by means of tight-binding band structure calculations. It was found that owing to Mo --> V substitutions all V2O5 curved nanostructures (which are uniformly semi-conducting) transform into a metallic state in addition to an increase of the Fermi energy into the conduction band. A qualitative picture of decreasing stability of V2-xMoxO5 tubes with an increase in the content of Mo is presented. A possible effect of impurity Mo atom distribution ('randomly' doped tubes vs Mo atoms 'clustering') on the electronic properties Of V1.9Mo0.1O5 tubes is also discussed. (C) 2004 Elsevier B.V. All rights reserved.

引用

页码：555 / 560

页数：6