Chemistry of and on TiO2-anatase surfaces by DFT calculations: a partial review |
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| Authors: | Andrea Vittadini Maurizio Casarin Annabella Selloni |
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| Institution: | (1) ISTM-CNR, Dipartimento di Scienze Chimiche (DiSC), Università di Padova, via Marzolo 1, 35131 Padova, Italy;(2) Dipartimento di Scienze Chimiche, Università di Padova, via Marzolo 1, 35131 Padova, Italy;(3) Chemistry Department, Princeton University, Princeton, NJ 08554, USA |
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| Abstract: | 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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| Keywords: | Titanium dioxide Anatase Surfaces Adsorption Nanolayers Density functional calculations |
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