Review of functional titanium oxides. I: TiO₂ and its modifications

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• 作者：Nazanin Rahimi ; Randolph A. Pax ; Evan MacA. Gray ; ^{e.gray@griffith.edu.au" class="auth_mail" title="E-mail the corresponding author}
• 关键词：TiO2 polymorphs ; Properties ; Modifications ; DFT ; Photocatalysis
• 刊名：Progress in Solid State Chemistry
• 出版年：2016
• 出版时间：September 2016
• 年：2016
• 卷：44
• 期：3
• 页码：86-105
• 全文大小：6368 K

文摘

An extensive and wide-ranging literature about the polymorphs of titanium dioxide (TiO₂) has accumulated during the last few decades, providing a very large resource of data on its properties, functionality and many present and potential industrial uses. This review focuses on the structural, kinetic, thermodynamic and electrical properties of TiO₂ from the viewpoint of the relationship between the crystal structure and its present or potential useful functionality, via the electronic structure. The reason for this focus is the fundamental relationship between the electronic band structure of this wide band-gap semiconductor and its interaction with light and chemical species. Intense interest in the photoactivity of TiO₂ followed the demonstration by Fujishima and Honda in 1972 of its ability to dissociate water using sunlight. Approaches to band gap engineering via chemical modifications are surveyed and correlated with band-structure calculations using Density Functional Theory and Hartree Fock methods. In the last section, progress in TiO₂ applications and prospects for new applications of this material are summarised.