Study of Triatomic Molecule Channeling in Bundles of Carbon Nanotubes

Resumo

Water-molecule channeling in bundles of carbon nanotubes in the presence of vacancies on walls and adsorbed atoms inside the tube is studied using the computer-simulation method. Estimation calculations show that channeling in the intertube space or dechanneling lead to the fast dissociation of water molecules. Therefore, studying the channeling process in bundles can be reduced to considering channeling in an individual carbon nanotube. It is shown that a change in the parameters of the beam of passed particles makes it possible to discover structural damage done to the bundles of nanotubes. A comparison with analogous results on a hydrogen atom and molecule channeling is made. It is discovered that the use of triatomic molecule channeling to study bundles of carbon nanotubes makes it possible to reveal structural imperfections, such as atoms adsorbed inside the tubes or vacancies on the walls, with a high effectiveness.