Molecular dynamics study of damage production in single-walled carbon nanotubes irradiated by various ion species

The irradiation-induced damage production in single-walled carbon nanotubes (CNTs) by several types of ions is investigated using the molecular dynamics method with analytical potentials. We found that, in the incident energy range 25-1000 eV, the bonding action or the chemical effect of the ions could significantly enhance their damage capabilities to CNTs relative to that of non-bonding ions, and the dependence of damage yield on the ion mass is no longer monotonic. This is contrary to the previous viewpoint that the chemical aspect of the interaction is of no importance to the ion-induced defect production mechanism in CNTs. The bonding interaction of ions with CNTs also increases their implantation probabilities into CNTs. The chemical erosion effect of incident ions remarkably intensifies the sideward recoil from CNTs under irradiation while the downward recoil is still governed by the physical collision effect.