NELLI D.

The evolution towards equilibrium of AuCo, AgNi and AgCu nanoparticles is studied by molecular dynamics simulations. Nanoparticle sizes of about 2.5 nm are considered, in the temperature range from 300 to 700 K. The simulations reveal complex equilibration pathways, in which geometric structure and chemical ordering change with time. These...

Atomic diffusion is at the basis of chemical ordering transformations in nanoalloys. Understanding the diffusion mechanisms at the atomic level is therefore a key issue in the study of the thermodynamic behavior of these systems and, in particular, of their evolution from out-of-equilibrium chemical ordering types often obtained in the...

The shape of AuPd nanoparticles is engineered by surface stress relaxation, achieved by varying the Au content in nanoparticles of Pd-rich compositions. AuPd nanoparticles are grown in the gas phase for several compositions and growth conditions. Their structure is atomically resolved by HRTEM/STEM and EDX. In pure Pd distributions the dominant...

Coalescence is a phenomenon in which two or more nanoparticles merge to form a single larger aggregate. By means of gas-phase magnetron-sputtering aggregation experiments on Pt-Pd nanoalloys, it is shown that the degree of coalescence can be tuned from a growth regime in which coalescence is negligible to a regime where the growth outcome is...

The atomic configuration of nanoparticles is key to their properties, in a way that resembles the structure-function correlation of biomolecules, and depends on the growth mechanism. Coalescence is often an important step in the growth of nanoparticles, both in liquid and in the gas phase. In coalescence, two preformed clusters collide and...

Controlled growth of far-from-equilibrium-shaped nanoparticles with size selection is essential for the exploration of their unique physical and chemical properties. Shape control by wet-chemistry preparation methods produces surfactant-covered surfaces with limited understanding due to the complexity of the processes involved. Here, we report...

The gas-phase growth of AuAg and PtPd clusters up to sizes ~3 nm is simulated by Molecular Dynamics. Both systems are characterized by a very small size mismatch and by a tendency of the less cohesive element to segregate at the nanoparticle surface. The aim of this work is to figure out the differences in the behavior between these two...

PtPd nanoparticles are among the most widely studied nanoscale systems, mainly because of their applications as catalysts in chemical reactions. In this work, a combined experimentaltheoretical study is presented about the dependence of growth shape of PtPd alloy nanocrystals on their composition. The particles are grown in the gas phase and...