Formation of carbon nanoscrolls from graphene sheet: A molecular dynamics study

•The fabrication of carbon nanoscrolls using graphene and carbon nanotubes has been studied by molecular dynamics method.•The formation mechanism of carbon nanoscrolls has been presented.•The position and number of carbon nanotubes influence the formation of carbon nanoscrolls.

In recent year, carbon nanoscrolls have attracted intensive attention both in theory and experiments for their unique and excellent fundamental properties and the wide range of potential applications. In this paper, the fabrication of carbon nanoscrolls using graphene and carbon nanotubes has been studied by molecular dynamics (MD) method. The formation mechanism of carbon nanoscrolls has been presented convincing explanations. Furthermore, the position and number of carbon nanotubes also influence the formation of carbon nanoscrolls. Our theoretical results will provide researchers a powerful guide and helpful assistance in designing better targeted programs in experiments.