Toward steering the motion of surface rolling molecular machines by straining graphene substrate

Computational and theoretical aspects of directed motion

The simulations of the motion of nanotruck on strain gradient surface indicate directed motion of the nanomachine at the temperature of 300 K. According to Fig. 2, the nanocar moves from the left side of the substrate, which has the maximum strain, to the unstrained end of the graphene layer. In the surfaces with the strain gradient, the areal density of atoms decreases as we increase the strain of the substrate. Due to the higher areal density of substrate’s atoms at the unstrained part of the substrate, the nanocar finds stronger…