Dynamical formation of graphene and graphane nanoscrolls

[Display omitted] •The formation mechanism of double nanoscrolls is revealed.•Hydrogenation impact on the formation of carbon nanoscrolls is presented.•The wrapping of graphene/graphene nanoribbons is temperature independent.•The wrapping of graphane/graphene nanoribbons is temperature dependent.•Graphane/graphane systems do not form nanoscrolls. Carbon nanoscrolls (CNSs) are nanomaterials with geometry resembling graphene layers rolled up into a spiral (papyrus-like) form. Effects of hydrogenation and temperature on the self-scrolling process of two nanoribbons interacting with a carbon nanotube (CNT) have been studied by molecular dynamics simulations for three configurations: (1) graphene/graphene/CNT; (2) graphene/graphane/CNT, and (3) graphane/graphane/CNT. Graphane refers to a fully hydrogenated graphene nanoribbon. Nanoscroll formation is observed for configurations (1) and (2) for temperatures 300–1000 K, while nanoribbons wrap CNT without nanoscroll formation for configuration (3).