Directing the diffusive motion of fullerene-based nanocars using nonplanar gold surfaces

A Nemati and HN Pishkenari and A Meghdari and S Sohrabpour, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 20, 332-344 (2018).

DOI: 10.1039/c7cp07217a

A new method for guiding the motion of fullerene and fullerene-based nanocars is introduced in this paper. The effects of non-flat substrates on the motion of C-60, a nanocar and a nanotruck are investigated at different conditions and temperatures. Their behavior is studied using two different approaches: analyzing the variation in potential energy and conducting all-atom classical molecular dynamics simulations. This paper proposes that the use of a stepped substrate will make their motion more predictable and controllable. The results of the simulations show that C-60 stays on the top side of the step and cannot jump over the step at temperatures of 400 K and lower. However, at temperatures of 500 K and higher, C-60 has sufficient energy to travel to the down side of the step. C-60 attaches to the edge and moves just alongside of the edge when it is on the down side of the step. The edge also restricts the motion of C-60 alongside the edge and reduces its range of motion. By considering the motion of C-60, the general behavior of the nanocar and nanotruck is predictable. The nanocar stays on the top side of the step at temperatures of 400 K and less; at 500 K and higher temperatures, its wheels jump off the edge, and its range of motion is restricted. The relatively rigid chassis of the nanotruck does not allow the free individual motion of the wheels. As a result, the entire nanotruck stays on the top side of the step, even at 600 K. A pathway with the desired route can be fabricated for the motion of C-60 and nanocars using the method presented in this paper. This represents a step towards the directional motion of C-60 and nanocars.

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