Materials Simulation

Monte-Carlo Simulation of the structure of bimetallic nanomaterials
Monte-Carlo Simulation of the structure of bimetallic nanomaterials

◀ Predicted atomic structures of (a) Pd–Pt, (b) Cu–Pt, (c) Au–Pt and (d) Ag–Pt nanoparticles. The first, middle and last columns of the figures show the cross-section, surface and tilt view of the nanoparticles, respectively. The TOh nanoparticles are composed of 1654 atoms (M827Pt827, where M stands for Ag, Au, Cu and Pd). Pt atoms are in gray (light), Pd in black, Cu in blue, Au in green and Ag in red (dark).

◀ Predicted atomic structures of Pd-Pt nanowires with [111] crystallographic orientations along the nanowire axis. Pd atoms are in blue (dark) and Pt in grey (light).