2D Chain Models of Nanoribbon Scrolls

We propose a simplified 2D model of the molecular chain that allows to describe molecular nanoribbon’s scrolled packings of various structures as spiral packaging chain. The model allows to obtain the possible stationary states of single-layer nanoribbons scrolls of graphene, graphane, fluorographene, fluorographane, graphone C\(_4\)H and fluorographone C\(_4\)F. We show the stability of scrolled packings and calculate the dependence of energy, the number of coils, inner and outer radius of the scrolled packing on the nanoribbon length. It is shown that a scrolled packing is the most energetically favorable conformation for nanoribbons of graphene, graphane, fluorographene, and fluorographane at large lengths. A double-scrolled packing when the nanoribbon is symmetrically rolled into a scroll from opposite ends is more advantageous for longer lengths nanoribbons of graphone and fluorographone. We show the possibility of existence of scrolled packings for nanoribbons of fluorographene and existence of two different types of scrolls for nanoribbons of fluorographane. The simplicity of the proposed model allows to consider the dynamics of molecular nanoribbon scrolls of sufficiently large lengths and at sufficiently large time intervals.