Effect of graphene substrate on melting of Cu nanoparticles

YK Peng and Z Tian and Q Zheng and Q Xie and TH Gao, PHYSICA B-CONDENSED MATTER, 657, 414817 (2023).

DOI: 10.1016/j.physb.2023.414817

A nanoparticles-graphene-based composites (NGC) can be produced by placing a metallic nanoparticle on the graphene or its derivative carrier. Molecular dynamics simulations were employed to investigate the structural evolution of Cu NGC during rapid heating, in terms of the largest standard cluster analysis (LaSCA). It is found that the Cu nanoparticles melt through three stages of surface melting, split- melting and rapid melting, instead of shell by shell from surface to center. The grapheme substrate improves the structure stability by lowering potential energy and increasing the melting point of Cu nanoparticles; it not only leads to non-isotropic melting but also introduce a liquid-liquid transition after all fcc atoms decomposed. These findings provide important insights for the melting of NGCs and will guide their preparation, utilization, modification, and other technologies.

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