Theory of gold on ceria

B3LYP calculations of cerium oxides

(2010) Jolla Kullgren et al.   JOURNAL OF CHEMICAL PHYSICS

A theoretical insight into the catalytic effect of a mixed-metal oxide at the nanometer level: The case of the highly active metal/CeOx/TiO2(110) catalysts

(2010) Jesús Graciani et al.   JOURNAL OF CHEMICAL PHYSICS

Density Functional Theory Study of the Interaction of Cu, Ag, and Au Atoms with the Regular CeO2 (111) Surface

(2010) María Marta Branda et al.   Journal of Physical Chemistry C

Positive Charge States and Possible Polymorphism of Gold Nanoclusters on Reduced Ceria

(2010) Changjun Zhang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Surface anion vacancies on ceria: Quantum modelling of mutual interactions and oxygen adsorption

(2009) José C. Conesa   CATALYSIS TODAY

Catalysis by Gold: Why Size Matters

(2009) Jeroen A. van Bokhoven   CHIMIA

On the difficulties of present theoretical models to predict the oxidation state of atomic Au adsorbed on regular sites of CeO[sub 2](111)

(2009) María Marta Branda et al.   JOURNAL OF CHEMICAL PHYSICS

Density Functional Theory Study of the Adsorption of Au Atom on Cerium Oxide: Effect of Low-Coordinated Surface Sites

(2009) Norberto J. Castellani et al.   Journal of Physical Chemistry C

A Density-Functional Theory Study of the Water−Gas Shift Mechanism on Pt/Ceria(111)

(2009) Richard T. Kinch et al.   Journal of Physical Chemistry C

Anchoring Sites for Initial Au Nucleation on CeO2{111}: O Vacancy versus Ce Vacancy

(2009) Changjun Zhang et al.   Journal of Physical Chemistry C

Preparation of Highly Active, Low Au-Loaded, Au/CeO2 Nanoparticle Catalysts That Promote CO Oxidation at Ambient Temperatures

(2009) Mingmei Han et al.   Journal of Physical Chemistry C

Reaction Mechanisms for the CO Oxidation on Au/CeO2Catalysts: Activity of Substitutional Au3+/Au+Cations and Deactivation of Supported Au+Adatoms

(2009) Matteo Farnesi Camellone et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Gold, Copper, and Platinum Nanoparticles Dispersed on CeOx/TiO2(110) Surfaces: High Water-Gas Shift Activity and the Nature of the Mixed-Metal Oxide at the Nanometer Level

(2009) Joon B. Park et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Electronic charge transfer between ceria surfaces and gold adatoms: a GGA+U investigation

(2009) Norge C. Hernández et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Electronic Correlation in AnionpOrbitals Impedes Ferromagnetism due to Cation Vacancies in Zn Chalcogenides

(2009) J. A. Chan et al.   PHYSICAL REVIEW LETTERS

Accurate Bulk Properties from Approximate Many-Body Techniques

(2009) Judith Harl et al.   PHYSICAL REVIEW LETTERS

Density-Functional Calculations of the Structure of Near-Surface Oxygen Vacancies and Electron Localization onCeO2(111)

(2009) M. Verónica Ganduglia-Pirovano et al.   PHYSICAL REVIEW LETTERS

Recent developments in catalysis using nanostructured materials

(2008) N. Raveendran Shiju et al.   APPLIED CATALYSIS A-GENERAL

Structure of gold atoms on stoichiometric and defective ceria surfaces

(2008) Changjun Zhang et al.   JOURNAL OF CHEMICAL PHYSICS

Examining the redox and formate mechanisms for water–gas shift reaction on Au/CeO2 using density functional theory

(2008) Ying Chen et al.   SURFACE SCIENCE

Au on (111) and (110) surfaces of CeO2: A density-functional theory study

(2008) Ying Chen et al.   SURFACE SCIENCE

Vacancy formation and CO adsorption on gold-doped ceria surfaces

(2008) Michael Nolan et al.   SURFACE SCIENCE