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

Atomic models of molybdenum-doped divanadium pentoxide (V 1.9Mo 0.1O 5) 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 a...

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Bibliographic Details
Published in:Chemical physics letters 2004-07, Vol.392 (4), p.555-560
Main Authors: Enyashin, A.N, Ivanovskaya, V.V, Makurin, Yu.N, Volkov, V.L, Ivanovskii, A.L
Format: Article
Language:English
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Summary:Atomic models of molybdenum-doped divanadium pentoxide (V 1.9Mo 0.1O 5) 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 V 2O 5 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 V 2 − x Mo x O 5 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 V 1.9Mo 0.1O 5 tubes is also discussed.
ISSN:0009-2614
1873-4448
DOI:10.1016/j.cplett.2004.05.115