Role of vacancies in the adsorption of quantum noble gases inside a bundle of carbon nanotubes.
Diffusion Monte Carlo calculations on the 4He and 20Ne 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.
Gordillo
M C
MC
Departamento de Sistemas Físicos, Químicos y Naturales, Facultad de Ciencias Experimentales, Universidad Pablo de Olavide, Carretera de Utrera, km 1, 41013 Sevilla, Spain.