Theoretical insights on the storage of carbon dioxide using single-walled carbon nanotubes

In this study, we propose the theoretical investigation of carbon dioxide inside of a zigzag (10.0) SWNT. The results revealed that the carbon dioxide monomers and dimers have an intrinsic tendency to go into the cavity of the nanotube. The adsorption energies also suggested dimerization inside of the nanotube is a realistic probability.