Electronic properties of single-walled V2O5 nanotubes |
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| Authors: | VV Ivanovskaya AN EnyashinAA Sofronov YuN MakurinNI Medvedeva AL Ivanovskii |
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| Institution: | a Institute of Solid State Chemistry, Ural Branch of the Russian Academy of Sciences, Pervomayskaya, 91, Ekaterinburg 620219, Russian Federation
b Ural State Technical University, Ekaterinburg 620001, Russian Federation |
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| Abstract: | Atomistic models of quasi-one-dimensional vanadium pentoxide nanostructures—single-walled nanotubes formed by rolling (010) layers of V2O5 are constructed and their electronic properties and bond indices are studied using the tight-binding band method. We show that all zigzag (n,0)- and armchair (n,n)-like nanotubes are uniformly semiconducting, and the band gap trends to vanish as the tube diameters decrease. The V-O covalent bonds were found to be the strongest interactions in V2O5 tubes, whereas V-V bonds proved to be much weaker. |
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| Keywords: | 61 46 |
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