The behavior of fullerene on graphene without substrate

This video shows the displacement of fullerene C60 on flat graphene layer without substrate under temperature of ~300 К. In initial moment of time fullerene was located in the center of graphene sheet inside the potential well that was created by interaction of fullerene with graphene. During simulation fullerene begins to roll in graphene leaving the center of graphene. In definite moment of time fullerene reaches the edge of grapehe and begins to move along it. Fullerene doesn’t leave the graphene. This is caused by increasing of repulsive barrier of VdW interaction of molecule with graphene in substrate.

Predictive multiscale modeling in life sciences and sphere of high technologies