Self-assembly of nano-scroll/nano-helix from a diamondene nanoribbon with one passivated surface

To obtain a diamondene nano-wafer from piled graphene layers, external surfaces often need to be passivated before compressing for reducing the required extremely high pressure. When only one of the two surfaces of a diamondene ribbon is hydrogenated, the two-dimensional material curves naturally due to asymmetric layout of C–H bonds on both surfaces. Based on this property, we proposed a concept of nano-scroll or nano-helix self-assembled from one-side hydrogenated diamondene ribbon with narrow width. Results from molecular dynamics simulation demonstrate that a minimal length of the ribbon exists, which can form a ring (one-round scroll). When L = 100 nm, the stable configuration of a relaxed ribbon depends on its fixation setting during relaxation and can be nano-scroll or heart-shaped scroll. In general, a nano-scroll with more rounds can be fabricated from a longer ribbon (L > 100 nm) using proper fixation control. A ribbon with low slenderness ratio displays obvious bi-directional curling initially, but the final nano-scroll has nearly the same radius. Once preparing a ribbon along chiral direction, a chiral ribbon tends to form a nano-helix. The self-bending-induced nano-scroll or nano-helix can be used as a nano-balance spring in a dynamic device for energy storage or other applications.