Computer Modeling of Electronic Properties of Scroll-like V2O5-based Nanotubes

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dc.creatorEnyashin, A. N.
dc.creatorIvanovskaya, V. V.
dc.creatorMakurin, Yu. N.
dc.creatorIvanovskii, A. L.
dc.date2003-09-08
dc.date.accessioned2026-07-07T02:53:20Z
dc.date.available2026-07-07T02:53:20Z
dc.descriptionAtomic models of quasi-one-dimensional 1D vanadium oxide nanostructures - nanotubes of various morphology (cylinder or scroll-like) formed by rolling (010) single layers of V2O5 are constructed and their electronic properties are studied using the tight-binding band theory. Compared to the cylindrical zigzag (n,0) and armchair (n,n)-like nanotubes, which are uniformly semi-conducting with the bang gap of about 2.5-2.7 eV, the band gap of the scroll-like tubes trends significantly to vanish (up to about 0.1 eV) depending on the atomic configurations of the tubes and inter-wall distances.
dc.description6 pages, 3 figures
dc.identifierhttps://arxiv.org/abs/cond-mat/0309179
dc.identifierhttp://arxiv.org/abs/cond-mat/0309179
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/22176
dc.subjectMaterials Science
dc.titleComputer Modeling of Electronic Properties of Scroll-like V2O5-based Nanotubes
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