Central vacancy creation in icosahedral nanoparticles induced by the displacement of large impurities

• Published in: European physical journal. Applied physics Vol. 97; p. 18
• Main Author: Nelli, Diana
• Format: Journal Article
• Language: English; Japanese
• Published: 2022

We employ metadynamics simulations at room temperature to study the diffusion of large single-atom impurities within otherwise pure icosahedral nanoparticles, for different bimetallic systems (Au-Co, Ag-Co, Ag-Ni, Au-Pt and Au-Rh) and icosahedral sizes. Our simulations reveal that the displacement o...