Temperature driven transport of gold nanoparticles physisorbed inside carbon nanotubes

We use molecular dynamics simulations to demonstrate the temperature driven mass transport of solid gold nanoparticles, physisorbed inside carbon nanotubes (CNTs). Our results indicate that the nanoparticle experiences a guided motion, in the direction opposite to the direction of the temperature gradient applied to the carrier CNT. The force experienced by the nanoparticle is of thermophoretic character, scaling linearly with the applied temperature gradient. The present results prove that the surface corrugation of different types of CNTs and the magnitude of the temperature gradient strongly affects the nanoparticle motion along the carbon lattice.