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 …

The meltinglike transition of the Cu 1 Au 54 and Cu 12 Au 43 clusters is investigated by
canonical Monte Carlo simulations, based on the second-moment approximation of the tight …

Molecular dynamics simulation is used to investigate the mechanical properties of infinitely
long, cylindrical bimetallic Pd-Pt nanowires, with an approximate diameter of 1.4 nm and two …

We carried out molecular dynamics simulations to examine the thermal, structural and
dynamics properties of single walled carbon nanotube-supported silver nanoclusters with …

We present a simple model that demonstrates the possibility of capillary absorption of
nonwetting liquid nanoparticles by carbon nanotubes (CNTs) assisted by the action of the …

We have used ab initio density functional theory calculations to study the adsorption of CO
on clusters of 13 noble metal atoms. The cluster composition ranges from 100% Pt to 100 …

In present work, molecular dynamics study method has been used to explore thermal
behavior of Bi-Ni core-shell nanoparticles with different coating layer thicknesses during …

Oxidation kinetics of Ni-Al (100) alloy surface is investigated at low temperatures (300–600
K) and at different gas pressures using molecular dynamics (MD) simulations with dynamic …

Thermal stability is the key issue in the industrial application of supported metal
nanocatalysts. A combination method of density functional theory calculations, machine …

High-index-faceted Pt nanoparticles exhibit exceptional electrocatalytic activity owing to the
high density of low coordinated sites on their surface, and thus have attracted extensive …