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Please use this identifier to cite or link to this item: https://libeldoc.bsuir.by/handle/123456789/6464
Title: Orientation effects in morphology and electronic properties of anatase TiO2 one dimensional nanostructures. I. Nanowires
Authors: Borisenko, V. E.
Migas, D. B.
Filonov, A. B.
Skorodumova, N. V.
Борисенко, В. Е.
Мигас, Д. Б.
Филонов, А. Б.
Скородумова, Н. В.
Keywords: публикации ученых
morphology
electronic properties
anatase
nanowires
Issue Date: 2014
Publisher: Royal Society of Chemistry
Citation: Orientation effects in morphology and electronic properties of anatase TiO2 one dimensional nanostructures. I. Nanowires / V. E. Borisenko [ and others] // Physical Chemestry Chemical Physics. - 2014. - № 16 - 10 p.
Abstract: By means of ab initio calculations we have revealed the existence of sizable anisotropy in electronic properties of anatase TiO2 nanowires with respect to orientation: nanowires with <001>, <100> and <110> axes are found to be direct band-gap, indirect band-gap and degenerate semiconductor materials, respectively. The degenerate semiconducting properties of <110>-oriented TiO2 nanowires are predicted to be the intrinsic features closely connected with stoichiometry. A band-gap variation with nanowire diameter is also shown to display rather complex behavior characterized by a competition between quantum confinement and surface state effects that is fully compatible with the available contradictory experimental data. Finally, we propose a model to explain the band-gap variation with size in TiO2 nanowires, nanocrystals and thin films.
URI: https://libeldoc.bsuir.by/handle/123456789/6464
Appears in Collections:Публикации в зарубежных изданиях

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