Surface segregation of bimetallic alloys in nanoscale confinement

Abstract

The surface segregation of Pt atoms in liquid bimetallic alloys confined in carbon nanotube cavities was studied using molecular dynamics simulations. Considerable enrichment in the Pt-atom surface density was found to occur in Pt alloys, when the complementary metal has surface energy higher than Pt and simultaneously metal-wall interaction strength lower than that of Pt with the confining wall. The results suggest that solidification of liquid binary alloys in nanochannels could produce core-shell nanorods with the shell enriched in one of the components for catalytic and other applications. © 2010 American Institute of Physics.