An increased synergy between experimental and theoretical investigations in
heterogeneous catalysis has become apparent during the last decade. Experimental work …

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 …

Platinum (Pt) nanocatalysts are essential for facilitating the cathodic oxygen reduction
reaction in proton exchange membrane fuel cells but suffer from a trade-off between activity …

Over the past decade, there has been a significant growth in the development and
application of methods for performing global optimization (GO) of cluster and nanoparticle …

The knowledge of the atomic structure of clusters composed by few atoms is a basic
prerequisite to obtain insights into the mechanisms that determine their chemical and …

A systematic search for global and energetically low-lying minimum structures of neutral
gold clusters Au n (n= 2–20) is performed within a seeded genetic algorithm technique using …

The concept of coupling a nanometer or subnanometer scale oxide phase to a metal surface
to form a metal–oxide hybrid material with novel properties is an attractive approach in the …

Recent advances in computational methods for searching for the most stable structures of
alloy nanoparticles are reviewed. A methodology based on extensive global optimization …

The field of nanoscience has undergone tremendous growth in the past decade as the
number of applications of nanoparticles and nanostructured materials have proliferated …

Cluster, as the aggregate of a few to thousands of atoms or molecules, bridges the
microscopic world of atoms and molecules and the macroscopic world of condensed …