Comparison of the reactivity ofO2with a (10,0) and a (9,0) carbon nanotube

The physisorption and chemisorption of ${\mathrm{O}}_2$ on the inner and outer walls of a (10,0) carbon nanotube have been studied using the ONIOM method and the second-order Møller-Plesset correlation treatment, which includes long-range dispersion interactions. The results have been compared to those previously computed for a (9,0) carbon nanotube interacting with ${\mathrm{O}}_2.$ Overall, the reactivity of a (10,0) nanotube with ${\mathrm{O}}_2$ is very similar to that of a (9,0) nanotube. Our results indicate that oxygen exposure on a (10,0) carbon nanotube under normal conditions has no doping effect to enhance the conductivity.