The importance of stress and strain effects on surface physics are reviewed. For this purpose
the following points are developed.(1) The elastic, thermodynamics and atomistic definitions …

An short review of the shape of supported nanoparticles is presented. In the first part of this
review the basic theoretical concepts governing the shape of crystals are given. The validity …

The oxidation of CO at MgO supported gold aggregates is studied by means of density
functional theory calculations. In addition to serving as a structural promoter holding the gold …

Hydrogen spillover is the phenomenon where a hydrogen atom, generated from the
dissociative chemisorption of dihydrogen on the surface of a metal species, migrates from …

As we learn more about the physics, chemistry and engineering of materials at the
nanoscale, we find that the development of a complete understanding is not (in general) …

We present a density-functional-theory (DFT) study of the reactivity towards CO oxidation of
Au nanoparticles supported by MgO (100). We model two geometrical aspects of the Au …

Structure and Properties of Nanoalloys is devoted to the topic of alloy nanoparticles, the bi-
or multicomponent metallic nanoparticles that are often called nanoalloys. The interest in …

Molecular dynamics simulations are used to analyze the structure and dynamics of isolated
bimetallic nanoclusters of 343 (Cu–Ni) and 1000 atoms (Cu–Ni and Pt–Au) deposited on a …

Abstract The growth of Ag-Pd and Ag-Cu core-shell nanoclusters is studied by molecular-
dynamics simulations on realistic time scales. The metals are modeled by many-body …

Bactericidal nanoparticle coatings are very promising for hindering the indirect transmission
of pathogens through cross-contaminated surfaces. The challenge, limiting their …