Role of vacancies in the adsorption of quantum noble gases inside a bundle of carbon nanotubes

Abstract

Diffusion Monte Carlo calculations on the He4 and Ne20 adsorption in the interstices of a bundle of (10,10) carbon nanotubes are reported. The results indicate that the presence of a carbon vacancy is enough, at least in some cases, to impede the adsorption of quantum gases in those systems. This could explain some discrepancies between the experimental data and the theoretical calculations about the possibility of adsorption of gases inside a bundle of carbon nanotubes. © 2006 The American Physical Society.