"Composition-Stability Relations for AuCu and PtNi Nanoalloys"

"Composition-Stability Relations for AuCu and PtNi Nanoalloys"

The relationship between the absolute stability of monometallic Au, Cu, Pt, Ni, bimetallic AuCu, PtNi nanoparticles and their chemical composition and structure is introduced on the basis of a density functional theory study. A set of 400 nanoalloys has been explored by considering several isomers of crystalline regular mixed clusters,
non-crystalline core-shell particles and a new family of non-crystalline partially mixed aggregates, in the range 0.8-1.8 nm. The nanoparticle surface energy is the selected descriptor that determines the absolute stability of these nanoalloy clusters. Our calculated nanoparticle surface energies have been validated by a comparison with available measurements.

03 juillet 2017

14h - Salle 317 - Tour 43/44 - UPMC - Jussieu

David Loffreda est membre permanent du Laboratoire de Chimie ENS de Lyon