ABSTRACT
This chapter presents the results of an in silico study of the effect of local hydrogenation of a graphene atomic grid on the character of the displacement of fullerene C60 within the graphene substrate. A number of interesting physical phenomena and effects have been discovered in hybrid graphene/C60 molecular systems, which can be used to create new nanodevices. The figure shows that in the course of time, the fullerene revolves in elliptical trajectories in the center of the graphene bowl. The energy profile of the interaction of graphene and fullerene was calculated for each of the considered graphene/C60 hybrid systems. A new method for controlling the shape of the C60 trajectory on graphene was proposed by varying the topological drawings of the arrangement of hydrogen atoms on graphene. The conditions for the appearance of a circular current on graphene with an ordered motion of a charged C60 fullerene are found.
