A density functional global optimisation study of neutral 8-atom Cu-Ag and Cu-Au clusters

Communication: The structures of small cationic gas-phase platinum clusters

(2012) Dan J. Harding et al.   JOURNAL OF CHEMICAL PHYSICS

Effects of Silver Doping on the Geometric and Electronic Structure and Optical Absorption Spectra of the Au25–nAgn(SH)18– (n = 1, 2, 4, 6, 8, 10, 12) Bimetallic Nanoclusters

(2012) Emilie B. Guidez et al.   Journal of Physical Chemistry C

Dopant-induced 2D–3D transition in small Au-containing clusters: DFT-global optimisation of 8-atom Au–Ag nanoalloys

(2011) Sven Heiles et al.   Nanoscale

A first-principles theoretical approach to heterogeneous nanocatalysis

(2011) Fabio R. Negreiros et al.   Nanoscale

First-principles absorption spectra of Cun(n=2–20) clusters

(2011) Kopinjol Baishya et al.   PHYSICAL REVIEW B

Observation of earlier two-to-three dimensional structural transition in gold cluster anions by isoelectronic substitution: MAun− (n=8–11; M=Ag,Cu)

(2010) Lei-Ming Wang et al.   JOURNAL OF CHEMICAL PHYSICS

Probing the structural evolution of CuN−, N=9–20, through a comparison of computed electron removal energies and experimental photoelectron spectra

(2010) M. Yang et al.   JOURNAL OF CHEMICAL PHYSICS

Oxidative Decomposition of Methanol on Subnanometer Palladium Clusters: The Effect of Catalyst Size and Support Composition

(2010) Sungsik Lee et al.   Journal of Physical Chemistry C

Determining the size-dependent structure of ligand-free gold-cluster ions

(2010) D. Schooss et al.   PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

A grid-based Bader analysis algorithm without lattice bias

(2009) W Tang et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Subnanometre platinum clusters as highly active and selective catalysts for the oxidative dehydrogenation of propane

(2009) Stefan Vajda et al.   NATURE MATERIALS

Charge transfer driven surface segregation of gold atoms in 13-atom Au–Ag nanoalloys and its relevance to their structural, optical and electronic properties

(2008) Fuyi Chen et al.   ACTA MATERIALIA

Nanoalloys:  From Theory to Applications of Alloy Clusters and Nanoparticles

(2008) Riccardo Ferrando et al.   CHEMICAL REVIEWS

The adsorption of CO on group 10 (Ni, Pd, Pt) transition-metal clusters

(2008) Philipp Gruene et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Does spin–orbit coupling effect favor planar structures for small platinum clusters?

(2008) Ali Sebetci   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Structures of Neutral Au7, Au19, and Au20 Clusters in the Gas Phase

(2008) P. Gruene et al.   SCIENCE

A study of bimetallic Cu–Ag, Au–Ag and Pd–Ag clusters adsorbed on a double-vacancy-defected MgO(100) terrace

(2007) Giovanni Barcaro et al.   FARADAY DISCUSSIONS