Journal
THEORETICAL CHEMISTRY ACCOUNTS
Volume 117, Issue 5-6, Pages 663-671Publisher
SPRINGER
DOI: 10.1007/s00214-006-0191-4
Keywords
titanium dioxide; anatase; surfaces; adsorption; nanolayers; density functional calculations
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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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