Open AccessStudying the possibility of using fullerenes inside carbon nanotubes as a molecular engine
Author(s) -
M. A. Bubenchikov,
А. М. Бубенчиков,
D. V. Mamontov,
В. В. Овчинников
Publication year - 2022
Publication title -
journal of physics. conference series
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.21
H-Index - 85
eISSN - 1742-6596
pISSN - 1742-6588
DOI - 10.1088/1742-6596/2211/1/012005
Subject(s) - fullerene , carbon nanotube , molecular dynamics , dimer , materials science , chemical physics , nanotube , molecule , nanotechnology , carbon fibers , rotor (electric) , computational chemistry , chemistry , physics , composite material , organic chemistry , composite number , quantum mechanics
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.