Effect of TiO2 support on the structural and electronic properties of PdmAgn clusters: a first-principles study

A DFT+U study of acetylene selective hydrogenation on oxygen defective anatase (101) and rutile (110) TiO2 supported Pd4 cluster

(2012) Jie Yang et al.   JOURNAL OF CHEMICAL PHYSICS

Adsorption of Pt and Bimetallic PtAu Clusters on the Partially Reduced Rutile (110) TiO2 Surface: A First-Principles Study

(2012) D. Çakır et al.   Journal of Physical Chemistry C

Structural optimization of Ag–Pd clusters based on different potential parameterizations

(2011) Xia Wu et al.   CHEMICAL PHYSICS

First-principles calculations on electronic structures of Fe-vacancy-codoped TiO2 anatase (101) surface

(2011) Qi Li Chen et al.   PHYSICA B-CONDENSED MATTER

Structures of gas-phase Ag–Pd nanoclusters: A computational study

(2010) Fabio R. Negreiros et al.   JOURNAL OF CHEMICAL PHYSICS

A DFT study of PtAu bimetallic clusters adsorbed on MgO/Ag(100) ultrathin films

(2010) Sabrina Sicolo et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Interface quantum trap depression and charge polarization in the CuPd and AgPd bimetallic alloy catalysts

(2010) Chang Q. Sun et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Peroxide and superoxide states of adsorbed O2 on anatase TiO2 (101) with subsurface defects

(2010) Ulrich Aschauer et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Supported bimetallic Pt-Au nanoparticles: Structural features predicted by molecular dynamics simulations

(2010) Brian H. Morrow et al.   PHYSICAL REVIEW B

Structures of AgPd nanoclusters adsorbed on MgO(100): A computational study

(2010) Fabio R. Negreiros et al.   SURFACE SCIENCE

Density functional study of small bimetallic Ag–Pd clusters

(2009) D.A. Kilimis et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Influence of Subsurface Defects on the Surface Reactivity of TiO2: Water on Anatase (101)

(2009) Ulrich Aschauer et al.   Journal of Physical Chemistry C

Evidence for the Predominance of Subsurface Defects on Reduced AnataseTiO2(101)

(2009) Yunbin He et al.   PHYSICAL REVIEW LETTERS

On the Role of Surface Modifications of Palladium Catalysts in the Selective Hydrogenation of Acetylene

(2008) Felix Studt et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Nanoalloys:  From Theory to Applications of Alloy Clusters and Nanoparticles

(2008) Riccardo Ferrando et al.   CHEMICAL REVIEWS

Excess electron states in reduced bulk anatase TiO2: Comparison of standard GGA, GGA+U, and hybrid DFT calculations

(2008) Emanuele Finazzi et al.   JOURNAL OF CHEMICAL PHYSICS

Nucleation and Growth of Palladium Clusters on Anatase TiO2(101) Surface: A First Principle Study

(2008) Jinli Zhang et al.   Journal of Physical Chemistry C

Alloy surface segregation in reactive environments: First-principles atomistic thermodynamics study ofAg3Pd(111)in oxygen atmospheres

(2008) John R. Kitchin et al.   PHYSICAL REVIEW B

Identification of Non-Precious Metal Alloy Catalysts for Selective Hydrogenation of Acetylene

(2008) F. Studt et al.   SCIENCE

Colloid Science of Metal Nanoparticle Catalysts in 2D and 3D Structures. Challenges of Nucleation, Growth, Composition, Particle Shape, Size Control and Their Influence on Activity and Selectivity

(2008) Gabor A. Somorjai et al.   TOPICS IN CATALYSIS