A DFT Study of the Structures of Aux Clusters on a CeO2(111) Surface

Sequential HAADF-STEM observation of structural changes in Au nanoparticles supported on CeO2

(2011) Tomoki Akita et al.   JOURNAL OF MATERIALS SCIENCE

Density Functional Theory Study of Sn Adsorption on the CeO2Surface

(2011) Yun Zhao et al.   Journal of Physical Chemistry C

Origin of the High Activity of the Ceria-Supported Copper Catalyst for H2O Dissociation

(2011) Zongxian Yang et al.   Journal of Physical Chemistry C

Structures of small Au clusters on MgO(001) studied by density-functional calculations

(2011) R. Ferrando et al.   PHYSICAL REVIEW B

Comparative Study on the Performance of Hybrid DFT Functionals in Highly Correlated Oxides: The Case of CeO2and Ce2O3

(2010) Jesús Graciani et al.   Journal of Chemical Theory and Computation

Equilibrium Geometries, Stabilities, and Electronic Properties of the Bimetallic M2-doped Aun(M = Ag, Cu;n= 1−10) Clusters: Comparison with Pure Gold Clusters

(2010) Ya-Ru Zhao et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Understanding the Reactivity Properties of Aun (6 ≤ n ≤ 13) Clusters Using Density Functional Theory Based Reactivity Descriptors

(2010) Himadri Sekhar De et al.   Journal of Physical Chemistry C

The Effect of Environment on the Reaction of Water on the Ceria(111) Surface: A DFT+U Study

(2010) Zongxian Yang 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

Probing the Structural Evolution of Medium-Sized Gold Clusters: Aun−(n= 27−35)

(2010) Nan Shao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Theoretical analysis of small Pt particles on rutileTiO2(110)surfaces

(2010) Veysel Çelik et al.   PHYSICAL REVIEW B

Density functional theory investigation of3d,4d, and5d13-atom metal clusters

(2010) Maurício J. Piotrowski et al.   PHYSICAL REVIEW B

A systematic search for minimum structures of small gold clusters Au[sub n] (n=2–20) and their electronic properties

(2009) Behnam Assadollahzadeh et al.   JOURNAL OF CHEMICAL PHYSICS

Theoretical Studies of Palladium−Gold Nanoclusters: Pd−Au Clusters with up to 50 Atoms

(2009) Faye Pittaway et al.   Journal of Physical Chemistry C

A Model to Understand the Oxygen Vacancy Formation in Zr-Doped CeO2: Electrostatic Interaction and Structural Relaxation

(2009) Hai-Feng Wang et al.   Journal of Physical Chemistry C

Interaction of Gold with Cerium Oxide Supports: CeO2(111) Thin Films vs CeOx Nanoparticles

(2009) M. Baron 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

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

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

(2009) Tomasz Pabisiak et al.   PHYSICAL REVIEW B

Multiple configurations of the two excess4felectrons on defectiveCeO2(111): Origin and implications

(2009) Hui-Ying Li et al.   PHYSICAL REVIEW B

A density functional theory study of formaldehyde adsorption and oxidation on CeO2(111) surface

(2009) Bo-Tao Teng et al.   SURFACE SCIENCE

Small Au clusters on a defective MgO(100) surface

(2008) Giovanni Barcaro et al.   CHEMICAL PHYSICS LETTERS

Nanoalloys:  From Theory to Applications of Alloy Clusters and Nanoparticles

(2008) Riccardo Ferrando et al.   CHEMICAL REVIEWS

Structure of gold atoms on stoichiometric and defective ceria surfaces

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

Structural and electronic properties of stable Aun (n=2–13) clusters: A density functional study

(2008) Ajanta Deka et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

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

(2008) Ying Chen et al.   SURFACE SCIENCE

Small Au and Pt Clusters at the Anatase TiO2(101) Surface:  Behavior at Terraces, Steps, and Surface Oxygen Vacancies

(2007) Xue-Qing Gong et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Searching for the optimum structures of alloy nanoclusters

(2007) Riccardo Ferrando et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS