One-dimensional self-assembly of C60 molecules on periodically wrinkled graphene sheet: A Monte Carlo approach

Periodically wrinkled graphene sheet is of interest as a building block to develop nanoelectronic devices. This work presents that periodically wrinkled graphene sheet can be applied to a pattern, to form one-dimensionally well-ordered C₆₀ molecules, via Monte Carlo simulations using the data obtained from atomistic calculations. Since the valleys of a sinusoidal graphene surface provide energetic ground sites for absorbed C₆₀ molecules, their motions seeking stable positions lead to one-dimensional self-assembly. The size of the wrinkles, the density of adsorbed C₆₀ molecules, and the temperature are very important parameters to obtain a one-dimensional C₆₀ molecules array. We estimate high one-dimensional diffusion coefficients of C₆₀ molecules on the wrinkled graphene surface. Our results can provide a possible approach to make a quantum information array, based on endohedral fullerenes and a graphene quantum dot array, by transforming C₆₀ molecules to graphene nanoflakes.