Studying the possibility of using fullerenes inside carbon nanotubes as a molecular engine

Abstract

Abstract A simple model of a molecular engine is proposed, which consists of a fullerene dimer with a charge and a carbon nanotube. Calculations of molecular dynamics have been carried out, which help to estimate the efficiency of fullerene dimers as a molecular rotor. A dimer placed inside a carbon nanotube will move along the axis of the nanotube, but at the same time it needs to be given a lot of energy in order for it to leave it. The ability of molecules to move along a container is studied mechanically.