Controlled thermally-driven mass transport in carbon nanotubes using carbon hoops

Abstract

Abstract Controlling mass transportation using intrinsic mechanisms is a challenging topic in nanotechnology. Herein, we employ molecular dynamics simulations to investigate the mass transport inside carbon nanotubes with temperature gradients, specifically the effects of adding a static carbon hoop to the outside of a CNT on the transport of a nanomotor inside the CNT. We reveal that the underlying mechanism is the uneven potential energy created by the hoops, i.e., the hoop outside the CNT forms potential energy barriers or wells that affect mass transport inside the CNT. This fundamental control of directional mass transportation may lead to promising routes for nanoscale actuation and energy conversion.