Interfacial oxygen under TiO2 supported Au clusters revealed by a genetic algorithm search

Molecular Understanding of Reactivity and Selectivity for Methanol Oxidation at the Au/TiO2Interface

(2013) Matteo Farnesi Camellone et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The Role of Reducible Oxide–Metal Cluster Charge Transfer in Catalytic Processes: New Insights on the Catalytic Mechanism of CO Oxidation on Au/TiO2 from ab Initio Molecular Dynamics

(2013) Yang-Gang Wang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Intrinsic Catalytic Structure of Gold Nanoparticles Supported on TiO2

(2012) Yasufumi Kuwauchi et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Inhibition at Perimeter Sites of Au/TiO2 Oxidation Catalyst by Reactant Oxygen

(2012) Isabel Xiaoye Green et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Structure and Mobility of Metal Clusters in MOFs: Au, Pd, and AuPd Clusters in MOF-74

(2012) Lasse B. Vilhelmsen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Packing Defects into Ordered Structures: Strands onTiO2

(2012) R. Bechstein et al.   PHYSICAL REVIEW LETTERS

Systematic Study ofAu6toAu12Gold Clusters on MgO(100)FCenters Using Density-Functional Theory

(2012) Lasse B. Vilhelmsen et al.   PHYSICAL REVIEW LETTERS

Enhanced activity for supported Au clusters: Methanol oxidation on Au/TiO2(110)

(2012) Samuel A. Tenney et al.   SURFACE SCIENCE

Charge State of Gold Nanoparticles Supported on Titania under Oxygen Pressure

(2011) Soeren Porsgaard et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Active Oxygen on a Au/TiO2 Catalyst: Formation, Stability, and CO Oxidation Activity

(2011) Daniel Widmann et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Self-consistent meta-generalized gradient approximation study of adsorption of aromatic molecules on noble metal surfaces

(2011) Lara Ferrighi et al.   JOURNAL OF CHEMICAL PHYSICS

Steps on rutile TiO2(110): Active sites for water and methanol dissociation

(2011) Umberto Martinez et al.   PHYSICAL REVIEW B

Spectroscopic Observation of Dual Catalytic Sites During Oxidation of CO on a Au/TiO2 Catalyst

(2011) I. X. Green et al.   SCIENCE

Formation of Gold(I) Edge Oxide at Flat Gold Nanoclusters on an Ultrathin MgO Film under Ambient Conditions

(2010) Pentti Frondelius et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

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

Quantum size effects in ambient CO oxidation catalysed by ligand-protected gold clusters

(2010) Olga Lopez-Acevedo et al.   Nature Chemistry

Synthesis and catalytic properties of metal nanoparticles: Size, shape, support, composition, and oxidation state effects

(2010) Beatriz Roldan Cuenya   THIN SOLID FILMS

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

2D−3D Transition for Cationic and Anionic Gold Clusters: A Kinetic Energy Density Functional Study

(2009) Lara Ferrighi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Geometric and electronic characteristics of active sites on TiO2-supported Au nano-catalysts: insights from first principles

(2009) Siris Laursen et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

(2009) Tomasz Pabisiak et al.   PHYSICAL REVIEW B

Localized atomic basis set in the projector augmented wave method

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

Surface-Supported Gold Cages

(2009) R. Ferrando et al.   PHYSICAL REVIEW LETTERS

Formation and Thermal Stability of Au2O3on Gold Nanoparticles:  Size and Support Effects

(2008) Luis K. Ono et al.   Journal of Physical Chemistry C

Intrinsic Diffusion of Hydrogen on Rutile TiO2(110)

(2008) Shao-Chun Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

(2008) S. Wendt et al.   SCIENCE