作者: V.V Ivanovskaya , A.N Enyashin , A.A Sofronov , Yu.N Makurin , N.I Medvedeva
DOI: 10.1016/S0038-1098(03)00254-0
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摘要: Abstract Atomistic models of quasi-one-dimensional vanadium pentoxide nanostructures—single-walled nanotubes formed by rolling (010) layers V 2 O 5 are constructed and their electronic properties bond indices studied using the tight-binding band method. We show that all zigzag ( n ,0)- armchair , )-like uniformly semiconducting, gap trends to vanish as tube diameters decrease. The V–O covalent bonds were found be strongest interactions in tubes, whereas V–V proved much weaker.