Silver-Platinum nanoparticles and nanodroplets supported on silica surfaces: structure and chemical ordering

TL;DR

This study investigates how silica supports influence the atomic structure and chemical ordering of AgPt nanoparticles, revealing the importance of substrate effects on nanoparticle properties relevant for catalysis.

Contribution

It provides the first detailed analysis of support disorder and roughness effects on AgPt nanoparticle structure using Monte Carlo simulations.

Findings

Support disorder affects nanoparticle ordering.

Interface roughness influences chemical composition.

Silica support modifies nanoparticle stability.

Abstract

Stable and metastable metallic nanoparticles exhibit unique properties compared to the bulk, with potentially important applications for catalysis. This is in particular the case for the AgPt alloy that can exhibit the ordered L1$_1$ structure (alternation of pure Ag and Pt (111) planes) in nanometer size particles. However, for such small systems, the interfaces play an important role. Therefore, the support used to elaborate the nanoparticles in ultrahigh vacuum experiments may influence their properties, even in the case of weakly interacting substrates like amorphous carbon or silica. This work focuses on the AgPt nanoparticles deposited on silica, and investigates the effect of the support disorder and roughness on the structure and chemical ordering, in particular at the interface with the substrate, by Monte Carlo calculations of the atomic density profiles with semi-empiric potentials.