Single‐atom catalysts, featuring some of the most unique activities, selectivity, and high
metal utilization, have been extensively studied over the past decade. Given their high …

Clusters or nanoparticles are aggregates of between a few and many millions of atoms or
molecules. They may consist of identical atoms, or molecules, or two or more different …

Alternative materials are required to enhance the efficacy of plasmonic devices. We discuss
the optical properties of a number of alloys, doped metals, intermetallics, silicides, metallic …

A review is presented of the design and application of genetic algorithms for the geometry
optimisation of clusters and nanoparticles, where the interactions between atoms, ions or …

A study has been made of the structures and stabilities of copper and gold clusters and
copper–gold nanoalloy clusters, with up to 56 atoms, modeled by the many-body Gupta …

A new family of magic cluster structures is found by genetic global optimization, whose
results are confirmed by density functional calculations. These clusters are Ag-Ni and Ag-Cu …

This article reviews recent advances in our understanding of how temperature affects the
structure and the phase of multimetallic nanoparticles. Focusing on bimetallic systems, we …

A detailed study is made of Pt, Pd and Pt–Pd bimetallic clusters,(PtPd) M, with up to 56
atoms, modelled by the many-body Gupta potential. A Genetic Algorithm is used to find the …

Gold nanoclusters of a size approaching the molecular limit (< 3 nm) were prepared on Si
substrates in order to study alloy formation on the nanometer scale. For this purpose, indium …

Energy calculations have been carried out on high symmetry icosahedral and cuboctahedral
Cu–Au nanoalloy clusters of various compositions, with the interatomic interactions …