Structural, electronic and optical properties of titania nanotubes

被引：0

作者：

Hossain, F.M. ^{[1
,2
]}

Evteev, A.V. ^{[1
]}

Belova, I.V. ^{[1
]}

Nowotny, J. ^{[3
]}

Murch, G.E. ^{[1
]}

机构：

[1] University Centre for Mass and Thermal Transport in Engineering Materials, Priority Research Centre for Geotechnical and Materials Modeling, School of Engineering, The University of Newcastle, Callaghan, NSW 2308, Australia

[2] School of Physics, The University of Melbourne, Parkville, VIC 3010, Australia

[3] Solar Energy Technologies, School of Natural Sciences, University of Western Sydney, Penrith South DC, NSW 1797, Australia

来源：

Energy Materials: Materials Science and Engineering for Energy Systems | 2012年 / 7卷 / 01期

关键词：

Titanium dioxide - Quantum theory - Nanotubes - Yarn - Energy gap - Structural properties - Optical properties;

D O I：

暂无

中图分类号：

学科分类号：

摘要：

This review paper describes primarily recent theoretical calculations with some supporting experimental findings on titania nanotubes. Nanotubes with different types and sizes are discussed in detail in terms of existing theoretical and experimental achievements. Both classical and quantum mechanical simulations are focused on. The properties of these nanotubes have been treated within first principle density functional electronic structure simulation methods. In this paper, we pay particular attention to computational aspects, but when appropriate, relationships with experimental results on titania nanostructures will be mentioned. First, the structural properties of titania nanotubes are reviewed, focusing from experimental growth mechanism to possible theoretical stable structure and orientation. Second, the electronic structure of nanotubes is discussed in terms of band gap modifications of titania and photocatalytic efficiencies in photoelectrochemical devices. Finally, current computational limitations and future directions are described with respect to the performances of nanotube titania based photosensitive devices. © 2012 Institute of Materials, Minerals and Mining Published by Maney on behalf of the Institute.

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页码：72 / 93