Adsorption properties versus oxidation states of rutile TiO2(110)

DFT+U study of defects in bulk rutile TiO2

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

Defining the Role of Excess Electrons in the Surface Chemistry of TiO2

(2010) N. Aaron Deskins et al.   Journal of Physical Chemistry C

Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method

(2010) J Enkovaara et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

In SituAmbient Pressure Studies of the Chemistry of NO2and Water on Rutile TiO2(110)

(2010) Jan Haubrich et al.   LANGMUIR

Observations of p-type semiconductivity in titanium dioxide at room temperature

(2010) M.K. Nowotny et al.   MATERIALS LETTERS

Density-functional characterization of antiferromagnetism in oxygen-deficient anatase and rutileTiO2

(2010) Kesong Yang et al.   PHYSICAL REVIEW B

Yim, Pang, and Thornton Reply:

(2010) C. M. Yim et al.   PHYSICAL REVIEW LETTERS

Comment on “Oxygen Vacancy Origin of the Surface Band-Gap State ofTiO2(110)”

(2010) S. Wendt et al.   PHYSICAL REVIEW LETTERS

Charge Localization Dynamics Induced by Oxygen Vacancies on theTiO2(110)Surface

(2010) Piotr M. Kowalski et al.   PHYSICAL REVIEW LETTERS

Oxygen Vacancy Origin of the Surface Band-Gap State ofTiO2(110)

(2010) C. M. Yim et al.   PHYSICAL REVIEW LETTERS

Thermally-driven processes on rutile TiO2(110)-(1×1): A direct view at the atomic scale

(2010) Zdenek Dohnálek et al.   PROGRESS IN SURFACE SCIENCE

Effect of subsurface Ti-interstitials on the bonding of small gold clusters on rutile TiO2(110)

(2009) Georg K. H. Madsen et al.   JOURNAL OF CHEMICAL PHYSICS

Localized atomic basis set in the projector augmented wave method

(2009) A. H. Larsen et al.   PHYSICAL REVIEW B

Enhanced adsorption energy of Au1 and O2 on the stoichiometric TiO2(110) surface by coadsorption with other molecules

(2008) Steeve Chrétien et al.   JOURNAL OF CHEMICAL PHYSICS

Effect of Prolonged Oxidation on Semiconducting Properties of Titanium Dioxide

(2008) T. Bak et al.   Journal of Physical Chemistry C

N Doping of Rutile TiO2(110) Surface. A Theoretical DFT Study

(2008) Jesús Graciani et al.   Journal of Physical Chemistry C

Au ↔ N Synergy and N-Doping of Metal Oxide-Based Photocatalysts

(2008) Jesús Graciani et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Effect of on-site Coulomb repulsion termUon the band-gap states of the reduced rutile (110)TiO2surface

(2008) Carmen J. Calzado et al.   PHYSICAL REVIEW B

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

(2008) S. Wendt et al.   SCIENCE