From graphene to graphene ribbon: atomically precise cutting via hydrogenation pseudo-crack

Properties and applications of carbon nanostructures depend heavily on their shape and size. Therefore, precise design and construction of carbon nanostructures at atomic scale is of great significance. Herein, we show that pseudo-crack is a feasible way to create atomically precise nanostructures. By using molecular dynamics simulation, we find that hydrogenation can act as a pseudo-crack to trigger the fracture of graphene along the hydrogenation line and cut the graphene into ribbon. Precise graphene ribbon with a desired width, edge type and the associated properties can be realized in a controllable way by manipulating the position and dimension of hydrogenation pseudo-crack. Our findings suggest a promising approach to cut graphene and other two-dimensional materials into nano-ribbons.