Related references
Note: Only part of the references are listed.Occupation matrix control of d- and f-electron localisations using DFT plus U
Jeremy P. Allen et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)
Chemical ordering in magic-size Ag-Pd nanoparticles
Davide Bochicchio et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)
Crystalline palladium-cobalt alloy nanoassemblies with enhanced activity and stability for the formic acid oxidation reaction
Lu Zhang et al.
APPLIED CATALYSIS B-ENVIRONMENTAL (2013)
DFT study of the structures and energetics of 98-atom AuPd clusters
Alina Bruma et al.
NANOSCALE (2013)
DFT study on stability and structure of bimetallic AumPdn (N=38, 55, 79, N=m+n, m/n ≈ 2:1 and 5:1) clusters
Xuejing Liu et al.
COMPUTATIONAL AND THEORETICAL CHEMISTRY (2012)
Structural optimization of Ag-Pd clusters based on different potential parameterizations
Xia Wu et al.
CHEMICAL PHYSICS (2011)
A comparative study of Pt and Pt-Pd core-shell nanocatalysts
Nguyen Viet Long et al.
ELECTROCHIMICA ACTA (2011)
Influence of the environment on equilibrium properties of Au-Pd clusters
D. Cheng et al.
EUROPEAN PHYSICAL JOURNAL D (2011)
Synergistic effect of Co alloying and surface oxidation on oxygen reduction reaction performance for the Pd electrocatalysts
Yu-Chen Wei et al.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2011)
Theoretical Determination of the Most Stable Structures of NimAgn Bimetallic Nanoalloys
Mohammad Molayem et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2011)
Global Minimum Structures and Magic Clusters of CumAgn Nanoalloys
Mohammad Molayem et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2011)
Patchy Multishell Segregation in Pd-Pt Alloy Nanoparticles
Giovanni Barcaro et al.
NANO LETTERS (2011)
Structures of gas-phase Ag-Pd nanoclusters: A computational study
Fabio R. Negreiros et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Energetic and Structural Analysis of 102-Atom Pd-Pt Nanoparticles: A Composition-Dependent Study
Rafael Pacheco-Contreras et al.
JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE (2010)
Structures and Chemical Ordering of Small Cu-Ag Clusters
S. Nunez et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2010)
Tailoring the Structural Motif of AgCo Nanoalloys: Core/Shell versus Janus-like
I. Parsina et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2010)
Visualization and analysis of atomistic simulation data with OVITO-the Open Visualization Tool
Alexander Stukowski
MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING (2010)
Size-Dependent Transition to High-Symmetry Chiral Structures in AgCu, AgCo, AgNi, and AuNi Nanoalloys
Davide Bochicchio et al.
NANO LETTERS (2010)
Investigation of the structures and chemical ordering of small Pd-Au clusters as a function of composition and potential parameterisation
Ramli Ismail et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)
Controlled synthesis and characterization of carbon-supported Pd4Co nanoalloy electrocatalysts for oxygen reduction reaction in fuel cells
H. Liu et al.
ENERGY & ENVIRONMENTAL SCIENCE (2009)
Structural and electronic properties of PtPd and PtNi nanoalloys
A. Radillo-Diaz et al.
EUROPEAN PHYSICAL JOURNAL D (2009)
HEAT CAPACITY OF 13-AND 19-ATOM PD-CO BINARY CLUSTERS: PARALLEL TEMPERING MONTE CARLO STUDY
Haydar Arslan et al.
INTERNATIONAL JOURNAL OF MODERN PHYSICS C (2009)
Structural Insights into 19-Atom Pd/Pt Nanoparticles: A Computational Perspective
Dora J. Borbon-Gonzalez et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2009)
Theoretical Studies of Palladium-Gold Nanoclusters: Pd-Au Clusters with up to 50 Atoms
Faye Pittaway et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2009)
Theoretical study of Cu38-nAun clusters using a combined empirical potential-density functional approach
Dung T. Tran et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2009)
Stability, magnetic behavior, and chemical order of (CoxFe1-x)N (N=5,13) nanoalloys
F. Aguilera-Granja et al.
PHYSICAL REVIEW B (2009)
Global optimization analysis of CunAum (n+m=38) clusters:: Complementary ab initio calculations
Domingos D. C. Rodrigues et al.
CHEMICAL PHYSICS (2008)
Nanoalloys: From theory to applications of alloy clusters and nanoparticles
Riccardo Ferrando et al.
CHEMICAL REVIEWS (2008)
Tuning the electrocatalytic activity and durability of low cost Pd70Co30 nanoalloy for oxygen reduction reaction in fuel cells
H. Liu et al.
ELECTROCHEMISTRY COMMUNICATIONS (2008)
Electrodeposited Pd-Co catalyst for direct methanol fuel cell electrodes: Preparation and characterization
Satoshi Tominaka et al.
ELECTROCHIMICA ACTA (2008)
Structure and chemical ordering in CoPt nanoalloys
G. Rossi et al.
FARADAY DISCUSSIONS (2008)
Structures and energetic of Palladium-Cobalt binary clusters
Haydar Arslan
INTERNATIONAL JOURNAL OF MODERN PHYSICS C (2008)
Structural motifs, mixing, and segregation effects in 38-atom binary clusters
Lauro Oliver Paz-Borbon et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Dependence of the structures and chemical ordering of Pd-Pt nanoalloys on potential parameters
Lauro Oliver Paz-Borbon et al.
JOURNAL OF MATERIALS CHEMISTRY (2008)
Structural and energetic properties of Ni-Cu bimetallic clusters
Elisaveta Hristova et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2008)
Density functional calculations of Pd nanoparticles using a plane-wave method
Francesc Vines et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2008)
Searching for the optimum structures of alloy nanoclusters
Riccardo Ferrando et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2008)
Growth of Co isolated clusters in the gas phase: Experiment and molecular dynamics simulations
Sebastien Rives et al.
PHYSICAL REVIEW B (2008)
Density functional studies of coinage metal nanoparticles:: scalability of their properties to bulk
Alberto Roldan et al.
THEORETICAL CHEMISTRY ACCOUNTS (2008)
Origin of enhanced activity in palladium alloy electrocatalysts for oxygen reduction reaction
Minhua Shao et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2007)
A mixed structural motif in 34-atom Pd-Pt clusters
Lauro Oliver Paz-Borbon et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2007)
The effect of heat treatment on nanoparticle size and ORR activity for carbon-supported Pd-Co alloy electrocatalysts
Lei Zhang et al.
ELECTROCHIMICA ACTA (2007)
Theoretical investigation of free-standing CoPd nanoclusters as a function of cluster size and stoichiometry in the Pd-rich phase:: Geometry, chemical order, magnetism, and metallic behavior
F. Aguilera-Granja et al.
PHYSICAL REVIEW B (2006)
Structures of small Pd-Pt bimetallic clusters by Monte Carlo simulation
Daojian Cheng et al.
CHEMICAL PHYSICS (2006)
Structural transition and magnetic properties of ComPtn (m + n = 38) clusters
QL Lu et al.
PHYSICS LETTERS A (2006)
Structures of bimetallic clusters
PJ Hsu et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Methanol-tolerant oxygen reduction electrocatalysts based on Pd-3D transition metal alloys for direct methanol fuel cells
K Lee et al.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY (2006)
Low-temperature solution synthesis of nanocrystalline binary intermetallic compounds using the polyol process
RE Cable et al.
CHEMISTRY OF MATERIALS (2005)
Quantum effects on the structure of pure and binary metallic nanoclusters
R Ferrando et al.
PHYSICAL REVIEW B (2005)
Structural properties of nanoclusters: Energetic, thermodynamic, and kinetic effects
F Baletto et al.
REVIEWS OF MODERN PHYSICS (2005)
Thermodynamic guidelines for the design of bimetallic catalysts for oxygen electroreduction and rapid screening by scanning electrochemical microscopy.: M-Co (M: Pd, Ag, Au)
JL Fernández et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2005)
Atomic scale models of Co-Ag mixed nanoclusters at thermodynamic equilibrium
T Van Hoof et al.
EUROPEAN PHYSICAL JOURNAL D (2004)
Magic polyicosahedral core-shell clusters
G Rossi et al.
PHYSICAL REVIEW LETTERS (2004)
Evolving better nanoparticles: Genetic algorithms for optimising cluster geometries
RL Johnston
DALTON TRANSACTIONS (2003)
Pd segregation to the surface of bimetallic Pt-Pd particles supported on H-β zeolite evidenced with X-ray photoelectron spectroscopy and argon cation bombardment
L Fiermans et al.
JOURNAL OF CATALYSIS (2000)