Chemistry of and on TiO2-anatase surfaces by DFT calculations:: a partial review

被引：230

作者：

Vittadini, Andrea

Casarin, Maurizio

Selloni, Annabella

机构：

[1] Univ Padua, Dipartimento Sci Chim, ISTM, CNR, I-35131 Padua, Italy

[2] Univ Padua, Dipartimento Sci Chim, I-35131 Padua, Italy

[3] Princeton Univ, Dept Chem, Princeton, NJ 08554 USA

来源：

THEORETICAL CHEMISTRY ACCOUNTS | 2007年 / 117卷 / 5-6期

关键词：

titanium dioxide; anatase; surfaces; adsorption; nanolayers; density functional calculations;

D O I：

10.1007/s00214-006-0191-4

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We review recent theoretical studies of the surfaces and interfaces of the anatase polymorph of TiO2. We discuss aspects of the surface structure, stability, and reactivity, as well as the growth and stability of anatase-supported oxide nanostructures of catalytic interest. Finally, we report on recent investigations of two-dimensional titania systems which appear to be closely related to anatase and which may have an important role during the growth of anatase nanoparticles.

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收藏

页码：663 / 671

页数：9

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