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

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 (`randomlyʹ doped tubes vs Mo atoms `clusteringʹ) on the electronic properties of V1.9Mo0.1O5 tubes is also discussed.