How to determine accurate chemical ordering in several nanometer large bimetallic crystallites from electronic structure calculations

Revealing chemical ordering in Pt–Co nanoparticles using electronic structure calculations and X-ray photoelectron spectroscopy

(2015) Gábor Kovács et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

How to increase the selectivity of Pd-based catalyst in alkynol hydrogenation: Effect of second metal

(2014) Artur Yarulin et al.   APPLIED CATALYSIS A-GENERAL

Electrodeposition of Cu-Pd alloys onto electrophoretic deposited carbon nanotubes for nitrate electroreduction

(2014) Qiu Zhang et al.   APPLIED SURFACE SCIENCE

Bulk Properties of Transition Metals: A Challenge for the Design of Universal Density Functionals

(2014) Patanachai Janthon et al.   Journal of Chemical Theory and Computation

Adsorbed and Subsurface Absorbed Hydrogen Atoms on Bare and MgO(100)-Supported Pd and Pt Nanoparticles

(2014) Sergey M. Kozlov et al.   Journal of Physical Chemistry C

A green method to prepare Pd–Ag nanoparticles supported on reduced graphene oxide and their electrochemical catalysis of methanol and ethanol oxidation

(2014) Lingzhi Li et al.   JOURNAL OF POWER SOURCES

Strategies for the Synthesis of Supported Gold Palladium Nanoparticles with Controlled Morphology and Composition

(2013) Graham J. Hutchings et al.   ACCOUNTS OF CHEMICAL RESEARCH

A silver–palladium alloy nanoparticle-based electrochemical biosensor for simultaneous detection of ractopamine, clenbuterol and salbutamol

(2013) Huan Wang et al.   BIOSENSORS & BIOELECTRONICS

The Intermetallic Compound ZnPd and Its Role in Methanol Steam Reforming

(2013) M. Armbrüster et al.   CATALYSIS REVIEWS-SCIENCE AND ENGINEERING

The effect of CO on intermetallic PdZn/ZnO and Pd2Ga/Ga2O3 methanol steam reforming catalysts: A comparative study

(2013) Karin Föttinger   CATALYSIS TODAY

Global optimization of clusters using electronic structure methods

(2013) Sven Heiles et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Understanding the synergistic effects of gold bimetallic catalysts

(2013) Aiqin Wang et al.   JOURNAL OF CATALYSIS

Revised Basin-Hopping Monte Carlo Algorithm for Structure Optimization of Clusters and Nanoparticles

(2013) Gustavo G. Rondina et al.   Journal of Chemical Information and Modeling

Communication: A new paradigm for structure prediction in multicomponent systems

(2013) D. Schebarchov et al.   JOURNAL OF CHEMICAL PHYSICS

Effect of MgO(100) support on structure and properties of Pd and Pt nanoparticles with 49-155 atoms

(2013) Sergey M. Kozlov et al.   JOURNAL OF CHEMICAL PHYSICS

Establishing the Accuracy of Broadly Used Density Functionals in Describing Bulk Properties of Transition Metals

(2013) Patanachai Janthon et al.   Journal of Chemical Theory and Computation

Structure of Pd/Au Alloy Nanoparticles from a Density Functional Theory-Based Embedded-Atom Potential

(2013) Rémi Marchal et al.   Journal of Physical Chemistry C

Competition between Icosahedral Motifs in AgCu, AgNi, and AgCo Nanoalloys: A Combined Atomistic–DFT Study

(2013) Kari Laasonen et al.   Journal of Physical Chemistry C

The Golden Crown: A Single Au Atom that Boosts the CO Oxidation Catalyzed by a Palladium Cluster on Titania Surfaces

(2013) Jin Zhang et al.   Journal of Physical Chemistry Letters

Stabilization and transformation of asymmetric configurations in small-mismatch alloy nanoparticles: the role of coordination dependent energetics

(2013) Micha Polak et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Morphological instability of core-shell metallic nanoparticles

(2013) Davide Bochicchio et al.   PHYSICAL REVIEW B

Catalysis from First Principles: Towards Accounting for the Effects of Nanostructuring

(2013) Sergey M. Kozlov et al.   TOPICS IN CATALYSIS

Composition-Dependent Catalytic Activity of Bimetallic Nanocrystals: AgPd-Catalyzed Hydrodechlorination of 4-Chlorophenol

(2013) Hongpan Rong et al.   ACS Catalysis

Order-Induced Selectivity Increase of Cu60Pd40 in the Semi-Hydrogenation of Acetylene

(2013) Matthias Friedrich et al.   Materials

Oxidation of Methane to Methanol with Hydrogen Peroxide Using Supported Gold-Palladium Alloy Nanoparticles

(2012) Mohd Hasbi Ab Rahim et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

New insights into enhanced electrocatalytic performance of carbon supported Pd–Cu catalyst for formic acid oxidation

(2012) Liang Lu et al.   ELECTROCHIMICA ACTA

Bimetallic Au–Pd catalysts for selective hydrogenation of butadiene: Influence of the preparation method on catalytic properties

(2012) Nadia El Kolli et al.   JOURNAL OF CATALYSIS

A novel formaldehyde sensor containing AgPd alloy nanoparticles electrodeposited on an ionic liquid–chitosan composite film

(2012) Qi Wang et al.   JOURNAL OF ELECTROANALYTICAL CHEMISTRY

Ordering of Bimetallic Nanoalloys Predicted from Bulk Alloy Phase Diagrams

(2012) Yuexia Wang et al.   Journal of Physical Chemistry C

Tuning the Oxygen Reduction Activity of Pd Shell Nanoparticles with Random Alloy Cores

(2012) Liang Zhang et al.   Journal of Physical Chemistry C

Geometric Arrangement of Components in Bimetallic PdZn/Pd(111) Surfaces Modified by CO Adsorption: A Combined Study by Density Functional Calculations, Polarization-Modulated Infrared Reflection Absorption Spectroscopy, and Temperature-Programmed Desorption

(2012) Christian Weilach et al.   Journal of Physical Chemistry C

Low-Temperature Carbon–Chlorine Bond Activation by Bimetallic Gold/Palladium Alloy Nanoclusters: An Application to Ullmann Coupling

(2012) Raghu Nath Dhital et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

(2012) Alina Bruma et al.   Nanoscale

Structurally ordered intermetallic platinum–cobalt core–shell nanoparticles with enhanced activity and stability as oxygen reduction electrocatalysts

(2012) Deli Wang et al.   NATURE MATERIALS

Isolated Metal Atom Geometries as a Strategy for Selective Heterogeneous Hydrogenations

(2012) Georgios Kyriakou et al.   SCIENCE

A PdZn catalyst supported on stabilized ceria for stoichiometric methanol steam reforming and hydrogen production

(2011) Qinglin Zhang et al.   APPLIED CATALYSIS A-GENERAL

Performance of Cu-promoted Pd catalysts prepared by adding Cu using a surface redox method in acetylene hydrogenation

(2011) Seok Ki Kim et al.   APPLIED CATALYSIS A-GENERAL

Performance and regeneration studies of Pd–Ag/Al2O3 catalysts for the selective hydrogenation of acetylene

(2011) Axel Pachulski et al.   APPLIED CATALYSIS A-GENERAL

Role of metal components in Pd–Cu bimetallic catalysts supported on CeO2 for the oxygen-enhanced water gas shift

(2011) Junichiro Kugai et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Finite Size Effects in Chemical Bonding: From Small Clusters to Solids

(2011) J. Kleis et al.   CATALYSIS LETTERS

Bonding and vibrations of CHxO and CHx species (x=1–3) on a palladium nanoparticle representing model catalysts

(2011) Sergey M. Kozlov et al.   CHEMICAL PHYSICS LETTERS

Aberration corrected analytical electron microscopy studies of sol-immobilized Au + Pd, Au{Pd} and Pd{Au} catalysts used for benzyl alcohol oxidation and hydrogen peroxide production

(2011) R. C. Tiruvalam et al.   FARADAY DISCUSSIONS

Influence of bulk composition of the intermetallic compound ZnPd on surface composition and methanol steam reforming properties

(2011) Matthias Friedrich et al.   JOURNAL OF CATALYSIS

Theoretical Determination of the Most Stable Structures of NimAgn Bimetallic Nanoalloys

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

Formation and Characterization of PdZn Alloy: A Very Selective Catalyst for Alkyne Semihydrogenation

(2011) Min Wei Tew et al.   Journal of Physical Chemistry C

Dynamic Structure of a Working Methanol Steam Reforming Catalyst: In Situ Quick-EXAFS on Pd/ZnO Nanoparticles

(2011) Karin Föttinger et al.   Journal of Physical Chemistry Letters

Patchy Multishell Segregation in Pd−Pt Alloy Nanoparticles

(2011) Giovanni Barcaro et al.   NANO LETTERS

Catalytically highly active top gold atom on palladium nanocluster

(2011) Haijun Zhang et al.   NATURE MATERIALS

Hydrogen production from formic acid decomposition at room temperature using a Ag–Pd core–shell nanocatalyst

(2011) Karaked Tedsree et al.   Nature Nanotechnology

Order-disorder transition in Co-Pt nanoparticles: Coexistence, transition states, and finite-size effects

(2011) F. Calvo et al.   PHYSICAL REVIEW B

PdAg Alloy Nanowires: Facile One-Step Synthesis and High Electrocatalytic Activity for Formic Acid Oxidation

(2011) Yizhong Lu et al.   ACS Catalysis

Subsurface-Controlled CO2Selectivity of PdZn Near-Surface Alloys in H2Generation by Methanol Steam Reforming

(2010) Christoph Rameshan et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The effect of PdZn particle size on reverse-water–gas-shift reaction

(2010) V. Lebarbier et al.   APPLIED CATALYSIS A-GENERAL

Design of AgM Bimetallic Alloy Nanostructures (M = Au, Pd, Pt) with Tunable Morphology and Peroxidase-Like Activity

(2010) Weiwei He et al.   CHEMISTRY OF MATERIALS

Oxygen-enhanced water gas shift on ceria-supported Pd–Cu and Pt–Cu bimetallic catalysts

(2010) Junichiro Kugai et al.   JOURNAL OF CATALYSIS

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

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

Reaction Kinetics and Polarization-Modulation Infrared Reflection Absorption Spectroscopy (PM-IRAS) Investigation of CO Oxidation over Supported Pd−Au Alloy Catalysts

(2010) Feng Gao 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

Stabilization of Au at edges of bimetallic PdAu nanocrystallites

(2010) Ilya V. Yudanov et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

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

PdZn or ZnPd: Charge Transfer and Pd-Pd Bonding as the Driving Force for the Tetragonal Distortion of the Cubic Crystal Structure 

(2010) Matthias Friedrich et al.   ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE

Bimetallic catalysts supported on activated carbon for the nitrate reduction in water: Optimization of catalysts composition

(2009) Olívia Salomé G.P. Soares et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Crystallite Size Controls the Crystal Structure of Cu60Pd40Nanoparticles

(2009) Matthias Friedrich et al.   CHEMISTRY OF MATERIALS

Palladium–copper alloys as catalysts for the oxygen reduction reaction in an acidic media I: Correlation between the ORR kinetic parameters and intrinsic physical properties of the alloys

(2009) F. Fouda-Onana et al.   JOURNAL OF ELECTROANALYTICAL CHEMISTRY

CO Oxidation over AuPd(100) from Ultrahigh Vacuum to Near-Atmospheric Pressures: CO Adsorption-Induced Surface Segregation and Reaction Kinetics

(2009) Feng Gao et al.   Journal of Physical Chemistry C

Exotic Supported CoPt Nanostructures: From Clusters to Wires

(2009) Giovanni Barcaro et al.   Journal of Physical Chemistry Letters

Switching Off Hydrogen Peroxide Hydrogenation in the Direct Synthesis Process

(2009) J. K. Edwards et al.   SCIENCE

PdZnAl catalysts for the reactions of water-gas-shift, methanol steam reforming, and reverse-water-gas-shift

(2008) R.A. Dagle et al.   APPLIED CATALYSIS A-GENERAL

The relation between surface composition of Pd–Cu/ACC catalysts prepared by selective deposition and their denitrification behavior

(2008) Uri Matatov-Meytal et al.   CATALYSIS COMMUNICATIONS

Nanoalloys:  From Theory to Applications of Alloy Clusters and Nanoparticles

(2008) Riccardo Ferrando et al.   CHEMICAL REVIEWS

Stability of bimetallic Pd–Zn catalysts for the steam reforming of methanol

(2008) T CONANT et al.   JOURNAL OF CATALYSIS

Effect of Zn addition on the water–gas shift reaction over supported palladium catalysts

(2008) L BOLLMANN et al.   JOURNAL OF CATALYSIS

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

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

Superficial segregation, wetting, and dynamical equilibrium in bimetallic clusters: A Monte Carlo study

(2008) F. Lequien et al.   PHYSICAL REVIEW B

First principles calculations of the electronic and geometric structure ofAg27Cu7nanoalloy

(2008) Marisol Alcántara Ortigoza 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

Solid-solution precursor to melting in onion-ring Pd–Pt nanoclusters: a case of second-order-like phase change?

(2007) Florent Calvo   FARADAY DISCUSSIONS