Modeling the noble metal/TiO2 (110) interface with hybrid DFT functionals: A periodic electrostatic embedded cluster model study

The Crucial Role of Dispersion in the Cohesion of Nonbridged Binuclear Os → Cr and Os → W Adducts

(2010) Stefan Grimme et al.   INORGANIC CHEMISTRY

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

Point defects in CaF2 and CeO2 investigated by the periodic electrostatic embedded cluster method

(2009) Asbjörn M. Burow et al.   JOURNAL OF CHEMICAL PHYSICS

High Water−Gas Shift Activity in TiO2(110) Supported Cu and Au Nanoparticles: Role of the Oxide and Metal Particle Size

(2009) José A. Rodríguez et al.   Journal of Physical Chemistry C

Reduced and n-Type Doped TiO2: Nature of Ti3+ Species

(2009) Cristiana Di Valentin et al.   Journal of Physical Chemistry C

First-principles study of Au nanostructures on rutileTiO2(110)

(2009) Tomasz Pabisiak et al.   PHYSICAL REVIEW B

Pt-incorporated anataseTiO2(001)surface for solar cell applications: First-principles density functional theory calculations

(2009) E. Mete et al.   PHYSICAL REVIEW B

First-principles study of the rectifying properties ofPt/TiO2interface

(2009) Tomoyuki Tamura et al.   PHYSICAL REVIEW B

Theoretical Thermodynamics for Large Molecules: Walking the Thin Line between Accuracy and Computational Cost

(2008) Tobias Schwabe et al.   ACCOUNTS OF CHEMICAL RESEARCH

Gold—an introductory perspective

(2008) Graham J. Hutchings et al.   CHEMICAL SOCIETY REVIEWS

Water on Rutile TiO2(110) and Au/TiO2(110): Effects on Au Mobility and the Isotope Exchange Reaction

(2008) Tianpin Wu et al.   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