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 …

Abstract Machine-learning force fields have been increasingly employed in order to extend
the possibility of current first-principles calculations. However, the transferability of the …

The ability to design synthesis processes that are out of equilibrium has opened the
possibility of creating nanomaterials with remarkable physicochemical properties, choosing …

Using spin polarized density functional theory based calculations, combined with ab initio
molecular dynamics simulation, we carry out a systematic investigation of the bimetallic Ni …

Core–shell nanoparticles made from iron embedded in gold have a strong potential interest
in nanomedicine, the Au shell providing an efficient biocompatible coating for the magnetic …

In this work, Fe–Au nanoalloys and Fe@ Au core–shell nanoclusters are investigated via
classical molecular dynamics simulation to determine the effect of their composition on their …

Fe-Au core-shell nanoparticles embedded in an amorphous alumina matrix are synthesized
at high temperature using magnetron sputtering. The nanoparticles display a single-crystal …

Nanoalloys are very promising for improving high-density storage. To this end, a nanoalloy
must present a sizable magnetic moment and a strong magnetic anisotropy. In principle …

Bimetallic particles based on gold and iron have been gathering increasing interest in
biomedical applications because of the synergic combination of the plasmonic features of …

The limited mutual solubility between Au and Fe in the bulk scale has inhibited the formation
of their alloys. Here we report the lowest energy structures of AuFe alloys in subnanometre …