Locomotion of the C₆₀-based nanomachines on graphene surfaces

We provide a comprehensive computational characterization of surface motion of two types of nanomachines with four C₆₀ “wheels”: a flexible chassis Nanocar and a rigid chassis Nanotruck. We study the nanocars’ lateral and rotational diffusion as well as the wheels’ rolling motion on two kinds of graphene substrates—flexible single-layer graphene which may form surface ripples and an ideally flat graphene monolayer. We find that the graphene surface ripples facilitate the translational diffusion of Nanocar and Nanotruck, but have little effect on their surface rotation or the rolling of their wheels. The latter two types of motion are strongly affected by the structure of the nanomachines instead. Surface diffusion of both nanomachines occurs preferentially via a sliding mechanism whereas the rolling of the “wheels” contributes little. The axial rotation of all “wheels” is uncorrelated.