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  • Title: Temperature and composition dependent structural evolution of AgPd bimetallic nanoparticle: phase diagram of (AgPd)151 nanoparticle.
    Author: Kim HY, Kim DH, Lee HM.
    Journal: J Nanosci Nanotechnol; 2011 Mar; 11(3):2251-5. PubMed ID: 21449376.
    Abstract:
    We study the structural evolution of a 151 atom Ag-Pd bimetallic nanoparticle with composition and temperature. The solid-to-liquid transition region was investigated using molecular dynamics simulations with an improved collision method, and the solid-state structure of the nanoparticle was explored with a combination of molecular dynamics and density functional theory. Results show that an fcc-to-icosahedron transformation occurs at high temperature in all composition range and that a composition of nanoparticles concerns the atomic distribution of the (AgPd)151 nanoparticle. As a result, we constructed a phase diagram of the (AgPd)151 nanoparticle. Our phase diagram offers guidance on the application of Ag-Pd nanoparticles.
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