A study of melting of various types of Pt–Pd nanoparticles

The melting processes of various Pt–Pd nanoparticles (binary alloy, core–shell, $D\le$ 4.0 nm) with different percent platinum atom content are investigated via the molecular dynamics using the embedded atom method potential in order to establish the thermal stability of simulated particle structure. In accordance with the data obtained, the most thermally stable are Pt–Pd nanoalloys with a diameter above 2.0 nm and core–shell Pd@Pt particles. As is shown, heating of binary Pt–Pd cluster alloys with the particle diameters less than 2.0 nm may cause the transition to pentagonal symmetry structures and core–shell-like complex formations.