THE INFLUENCE OF NITROGEN ATOMS ON CARBON NANOTUBES AT DIFFERENT TEMPERATURES
Keywords:
double-walled carbon nanotubes, nitrogen adsorption, molecular dynamics simulation, chiralityAbstract
Nitrogen adsorbed carbon nanotubes attract a lot of attention in the field of materials science due to their unique
properties and application possibilities. Therefore, in this work, the influence of various temperatures (i.e. 300, 600 and
900 K) and pressures (1, 5 and 10 bar) on the adsorption of nitrogen atoms on double-layer carbon nanotubes (DSNTS)
was investigated. The studies were carried out by the method of molecular dynamics modeling (MD) using the potential
(ReaxFF). The results of the studies show that the influence of temperature and pressure on achieving good adsorption
of nitrogen atoms on the surface of the DSNT is great, and the best adsorption rate was at a temperature of 300 K and a
pressure of 10 bar, which was 79%. .
This study helps to understand the interaction of DSNTS with nitrogen atoms depending on external
parameters.
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