Theoretical study of the structures and chemical ordering of cobalt–palladium nanoclusters

Occupation matrix control of d- and f-electron localisations using DFT + U

(2014) Jeremy P. Allen et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Chemical ordering in magic-size Ag–Pd nanoparticles

(2014) Davide Bochicchio et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Crystalline palladium–cobalt alloy nanoassemblies with enhanced activity and stability for the formic acid oxidation reaction

(2013) Lu Zhang et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

DFT study of the structures and energetics of 98-atom AuPd clusters

(2012) Alina Bruma et al.   Nanoscale

DFT study on stability and structure of bimetallic AumPdn (N=38, 55, 79, N=m+n, m/n≈2:1 and 5:1) clusters

(2012) Xuejing Liu et al.   Computational and Theoretical Chemistry

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

(2011) Xia Wu et al.   CHEMICAL PHYSICS

A comparative study of Pt and Pt–Pd core–shell nanocatalysts

(2011) Nguyen Viet Long et al.   ELECTROCHIMICA ACTA

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

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

Synergistic effect of Co alloying and surface oxidation on oxygen reduction reaction performance for the Pd electrocatalysts

(2011) Yu-Chen Wei et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Theoretical Determination of the Most Stable Structures of NimAgn Bimetallic Nanoalloys

(2011) Mohammad Molayem et al.   Journal of Physical Chemistry C

Global Minimum Structures and Magic Clusters of CumAgn Nanoalloys

(2011) Mohammad Molayem et al.   Journal of Physical Chemistry C

Patchy Multishell Segregation in Pd−Pt Alloy Nanoparticles

(2011) Giovanni Barcaro et al.   NANO LETTERS

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

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

Energetic and Structural Analysis of 102-Atom Pd–Pt Nanoparticles: A Composition-Dependent Study

(2010) Rafael Pacheco-Contreras et al.   Journal of Computational and Theoretical Nanoscience

Structures and Chemical Ordering of Small Cu−Ag Clusters

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

Tailoring the Structural Motif of AgCo Nanoalloys: Core/Shell versus Janus-like

(2010) I. Parsina et al.   Journal of Physical Chemistry C

Size-Dependent Transition to High-Symmetry Chiral Structures in AgCu, AgCo, AgNi, and AuNi Nanoalloys

(2010) Davide Bochicchio et al.   NANO LETTERS

Investigation of the structures and chemical ordering of small Pd–Au clusters as a function of composition and potential parameterisation

(2010) Ramli Ismail et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Structural and electronic properties of PtPd and PtNi nanoalloys

(2009) A. Radillo-Díaz et al.   EUROPEAN PHYSICAL JOURNAL D

HEAT CAPACITY OF 13- AND 19-ATOM PD–CO BINARY CLUSTERS: PARALLEL TEMPERING MONTE CARLO STUDY

(2009) HAYDAR ARSLAN et al.   INTERNATIONAL JOURNAL OF MODERN PHYSICS C

Structural Insights into 19-Atom Pd/Pt Nanoparticles: A Computational Perspective

(2009) Dora J. Borbón-González et al.   Journal of Physical Chemistry C

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

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

Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool

(2009) Alexander Stukowski   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Theoretical study of Cu38−nAun clusters using a combined empirical potential–density functional approach

(2009) Dung T. Tran et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Stability, magnetic behavior, and chemical order of(CoxFe1−x)N(N=5,13)nanoalloys

(2009) F. Aguilera-Granja et al.   PHYSICAL REVIEW B

Global optimization analysis of CunAum (n+m=38) clusters: Complementary ab initio calculations

(2008) Domingos D.C. Rodrigues et al.   CHEMICAL PHYSICS

Nanoalloys:  From Theory to Applications of Alloy Clusters and Nanoparticles

(2008) Riccardo Ferrando et al.   CHEMICAL REVIEWS

Tuning the electrocatalytic activity and durability of low cost Pd70Co30 nanoalloy for oxygen reduction reaction in fuel cells

(2008) H. Liu et al.   ELECTROCHEMISTRY COMMUNICATIONS

Electrodeposited Pd-Co catalyst for direct methanol fuel cell electrodes: Preparation and characterization

(2008) Satoshi Tominaka et al.   ELECTROCHIMICA ACTA

Controlled synthesis and characterization of carbon-supported Pd4Co nanoalloy electrocatalysts for oxygen reduction reaction in fuel cells

(2008) H. Liu et al.   Energy & Environmental Science

STRUCTURES AND ENERGETIC OF PALLADIUM-COBALT BINARY CLUSTERS

(2008) HAYDAR ARSLAN   INTERNATIONAL JOURNAL OF MODERN PHYSICS C

Structural motifs, mixing, and segregation effects in 38-atom binary clusters

(2008) Lauro Oliver Paz-Borbón et al.   JOURNAL OF CHEMICAL PHYSICS

Dependence of the structures and chemical ordering of Pd–Pt nanoalloys on potential parameters

(2008) Lauro Oliver Paz-Borbón et al.   JOURNAL OF MATERIALS CHEMISTRY

Structural and Energetic Properties of Ni−Cu Bimetallic Clusters

(2008) Elisaveta Hristova et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Density Functional Calculations of Pd Nanoparticles Using a Plane-Wave Method†

(2008) Francesc Viñes et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Growth of Co isolated clusters in the gas phase: Experiment and molecular dynamics simulations

(2008) Sébastien Rives et al.   PHYSICAL REVIEW B

Density functional studies of coinage metal nanoparticles: scalability of their properties to bulk

(2008) Alberto Roldán et al.   THEORETICAL CHEMISTRY ACCOUNTS

Structure and chemical ordering in CoPt nanoalloys

(2007) G. Rossi et al.   FARADAY DISCUSSIONS

Searching for the optimum structures of alloy nanoclusters

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