Directed motion of C60 on a graphene sheet subjected to a temperature gradient

TL;DR

This study uses molecular dynamics simulations to demonstrate how a temperature gradient induces directed motion of a C60 molecule on graphene, revealing potential for nanoscale motor design.

Contribution

It introduces a novel approach to control molecular motion on graphene using temperature gradients, highlighting a mechanism for nanoscale motor development.

Findings

C60 moves directionally along the temperature gradient

Increasing the gradient boosts the molecule's velocity

Free energy decreases toward the cold end

Abstract

Nonequilibrium molecular dynamics simulations is used to study the motion of a C60 molecule on a graphene sheet subjected to a temperature gradient. The C60 molecule is actuated and moves along the system while it just randomly dances along the perpendicular direction. Increasing the temperature gradient increases the directed velocity of C60. It is found that the free energy decreases as the C60 molecule moves toward the cold end. The driving mechanism based on the temperature gradient suggests the construction of nanoscale graphene-based motors.