Effect of CO and H adsorption on the compositional structure of binary nanoalloys via DFT modeling

Kinetics of chemical ordering in a Ag-Pt nanoalloy particle via first-principles simulations

(2012) F. R. Negreiros et al.   JOURNAL OF CHEMICAL PHYSICS

Influence of the environment on equilibrium properties of Au-Pd clusters

(2011) D. Cheng et al.   EUROPEAN PHYSICAL JOURNAL D

Patchy Multishell Segregation in Pd−Pt Alloy Nanoparticles

(2011) Giovanni Barcaro et al.   NANO LETTERS

NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations

(2010) M. Valiev et al.   COMPUTER PHYSICS COMMUNICATIONS

Adsorbate-Induced Changes in the Surface Composition of Bimetallic Clusters: Pt−Au on TiO2(110)

(2010) Samuel A. Tenney et al.   Journal of Physical Chemistry C

The Effect of CO and H Chemisorption on the Chemical Ordering of Bimetallic Clusters

(2010) Paul S. West et al.   Journal of Physical Chemistry C

Evolution of Structure and Chemistry of Bimetallic Nanoparticle Catalysts under Reaction Conditions

(2010) Feng Tao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Chemisorption of CO and H on Pd, Pt and Au nanoclusters: a DFT approach

(2009) L. O. Paz-Borbon et al.   EUROPEAN PHYSICAL JOURNAL D

Adsorption-Driven Surface Segregation of the Less Reactive Alloy Component

(2009) Klas J. Andersson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Study of Pd–Au bimetallic catalysts for CO oxidation reaction by DFT calculations

(2009) Jia Zhang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Nanoalloys:  From Theory to Applications of Alloy Clusters and Nanoparticles

(2008) Riccardo Ferrando et al.   CHEMICAL REVIEWS

Atomic and electronic structure of gold clusters: understanding flakes, cages and superatoms from simple concepts

(2008) Hannu Häkkinen   CHEMICAL SOCIETY REVIEWS

Interaction of CO with PdAu(111) and PdAu(100) Bimetallic Surfaces:  A Theoretical Cluster Model Study

(2008) Gloria Mazzone et al.   Journal of Physical Chemistry C

Reaction-Driven Restructuring of Rh-Pd and Pt-Pd Core-Shell Nanoparticles

(2008) F. Tao et al.   SCIENCE