SIZE OF METAL NANOPARTICLES AS A DECISIVE FACTOR IN THE FORMATION OF NICKEL – GRAPHENE COMPOSITE: MOLECULAR DYNAMICS

The size effect of nickel nanoparticles on the process of nickel–graphene composite formation is studied by molecular dynamics. It is shown that the best mixing of single structural elements in the general structure is achieved at high temperatures which cause fluctuations resulting in additional chemical bonds between graphene flakes. However, particle size is one of the most important structural factors affecting the composite structure: larger nanoparticles maintain their spherical shape even at high temperatures and prevent the formation of a uniform composite structure. The obtained results enrich our understanding of processes underlying the formation of composites based on crumpled graphene and metal nanoparticles.