Density functional theory analysis of the structural and electronic properties of TiO2 rutile and anatase polytypes: Performances of different exchange-correlation functionals-Reference-Cited by-同舟云学术

Density functional theory analysis of the structural and electronic properties of TiO2 rutile and anatase polytypes: Performances of different exchange-correlation functionals

Published:2007-04-21 Issue:15 Volume:126 Page:154703
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Labat Frédéric,Baranek Philippe,Domain Christophe,Minot Christian,Adamo Carlo

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.2717168

Reference82 articles.

1. Effect of Powder Characteristics on Microstructures and Dielectric Properties of (Ba,Nb)-Doped Titania Ceramics

2. Growth Kinetics of CVD TiO2: Influence of Carrier Gas

3. Metal Oxide Nanoarchitectures for Environmental Sensing

4. Photocatalytic degradaton of phenol in aqueous polycrystalline TiO2 dispersions: the influence of Fe3+, Fe2+ and Ag+ on the reaction rate

5. Noncovalent Anchoring of Asymmetric Hydrogenation Catalysts on a New Mesoporous Aluminosilicate: Application and Solvent Effects

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