DFT global optimisation of gas-phase and MgO-supported sub-nanometre AuPd clusters

Application of a Parallel Genetic Algorithm to the Global Optimization of Gas-Phase and Supported Gold–Iridium Sub-Nanoalloys

(2016) Jack B. A. Davis et al.   Journal of Physical Chemistry C

Liquid phase oxidation of cyclohexane using bimetallic Au–Pd/MgO catalysts

(2015) Xi Liu et al.   APPLIED CATALYSIS A-GENERAL

The Birmingham parallel genetic algorithm and its application to the direct DFT global optimisation of IrN(N = 10–20) clusters

(2015) Jack B. A. Davis et al.   Nanoscale

CO oxidation catalysed by Pd-based bimetallic nanoalloys

(2015) Dennis Palagin et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Pool-BCGA: a parallelised generation-free genetic algorithm for the ab initio global optimisation of nanoalloy clusters

(2015) A. Shayeghi et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Support and Oxidation Effects on Subnanometer Palladium Nanoparticles

(2014) Christopher J. Heard et al.   Journal of Physical Chemistry C

Optical Properties of Diatom Nanostructured Biosilica in Arachnoidiscus sp: Micro-Optics from Mother Nature

(2014) Maria Antonietta Ferrara et al.   PLoS One

Strategies for Designing Supported Gold–Palladium Bimetallic Catalysts for the Direct Synthesis of Hydrogen Peroxide

(2013) Jennifer K. Edwards et al.   ACCOUNTS OF CHEMICAL RESEARCH

Size dependent magnetic and dielectric properties of nano CoFe2O4prepared by a salt assisted gel-combustion method

(2013) K. Vasundhara et al.   JOURNAL OF APPLIED PHYSICS

Modelling the metal-on-top effect for Pd clusters on the MgO{100} substrate

(2013) Ivailo Atanasov et al.   JOURNAL OF CHEMICAL PHYSICS

Global Optimization of 8–10 Atom Palladium–Iridium Nanoalloys at the DFT Level

(2013) Jack B. A. Davis et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Theoretical Study of the Structures and Chemical Ordering of Palladium–Gold Nanoalloys Supported on MgO(100)

(2012) Ramli Ismail et al.   Journal of Physical Chemistry C

Morphology-dependent nanocatalysis: metal particles

(2011) Yong Li et al.   DALTON TRANSACTIONS

Academic and industry research progress in germanium nanodevices

(2011) Ravi Pillarisetty   NATURE

Catalytically highly active top gold atom on palladium nanocluster

(2011) Haijun Zhang et al.   NATURE MATERIALS

Interaction between NO and Na, O, S, Cl on Au and Pd(111) surfaces

(2011) Li-Yong Gan et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Catalytic activity of Pd ensembles incorporated into Au nanocluster for CO oxidation: A first-principles study

(2011) D.W. Yuan et al.   PHYSICS LETTERS A

DFT Study of Bimetallic Palladium−Gold Clusters PdnAumof Low Nuclearities (n+m≤ 14)

(2010) Giuseppe Zanti et al.   JOURNAL OF PHYSICAL CHEMISTRY A

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

Stabilization of Au at edges of bimetallic PdAu nanocrystallites

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

A systematic search for minimum structures of small gold clusters Au[sub n] (n=2–20) and their electronic properties

(2009) Behnam Assadollahzadeh et al.   JOURNAL OF CHEMICAL PHYSICS

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

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

Detecting Weak Interactions between Au−and Gas Molecules: A Photoelectron Spectroscopic and Ab Initio Study

(2009) Yi Gao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Switching Off Hydrogen Peroxide Hydrogenation in the Direct Synthesis Process

(2009) J. K. Edwards et al.   SCIENCE

Nanoalloys:  From Theory to Applications of Alloy Clusters and Nanoparticles

(2008) Riccardo Ferrando et al.   CHEMICAL REVIEWS