A DFT +Ustudy of (Rh, Nb)-codoped rutile TiO2

Half-metallicity in Rh-doped TiO2 from ab initio calculations

(2012) Z. Y. Tan et al.   EUROPEAN PHYSICAL JOURNAL B

Range-separated hybrid exchange-correlation functional analyses of anatase TiO2doped with W, N, S, W/N, or W/S

(2012) Veysel Çelik et al.   PHYSICAL REVIEW B

Charge Compensation and Ce3+ Formation in Trivalent Doping of the CeO2(110) Surface: The Key Role of Dopant Ionic Radius

(2011) Michael Nolan   Journal of Physical Chemistry C

Charge compensation in trivalent cation doped bulk rutile TiO2

(2011) Anna Iwaszuk et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Closing the gap

(2011) Ulrike Diebold   Nature Chemistry

Effective increasing of optical absorption and energy conversion efficiency of anatase TiO2 nanocrystals by hydrogenation

(2011) Jibao Lu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Tailoring the electronic structure of TiO2by cation codoping from hybrid density functional theory calculations

(2011) Run Long et al.   PHYSICAL REVIEW B

Increasing Solar Absorption for Photocatalysis with Black Hydrogenated Titanium Dioxide Nanocrystals

(2011) X. Chen et al.   SCIENCE

Photocatalytic degradation of 2-propanol over metal-ion-loaded titanium(IV) oxide under visible light irradiation: Effect of physical properties of nano-crystalline titanium(IV) oxide

(2010) Sho Kitano et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Photocatalytic Degradation of Organic Pollutants by Co-Doped TiO2 Under Visible Light Irradiation

(2010) Chuncheng Chen et al.   CURRENT ORGANIC CHEMISTRY

DFT+U study of defects in bulk rutile TiO2

(2010) Jess Stausholm-Møller et al.   JOURNAL OF CHEMICAL PHYSICS

Fluorine donors andTi3+ions inTiO2crystals

(2010) Shan Yang et al.   PHYSICAL REVIEW B

Small polarons in Nb- and Ta-doped rutile and anatase TiO2

(2009) Benjamin J. Morgan et al.   JOURNAL OF MATERIALS CHEMISTRY

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Electronic Structures of Manganese-Doped Rutile TiO2 from First Principles

(2008) G. Shao   Journal of Physical Chemistry C

The Role of Interstitial Sites in the Ti3d Defect State in the Band Gap of Titania

(2008) S. Wendt et al.   SCIENCE

TiO2 photocatalysis and related surface phenomena

(2008) A FUJISHIMA et al.   SURFACE SCIENCE REPORTS