Dilation and Intercalation of Gases Within Carbon Nanostructures

We present a study of the mutual effects of the interactions between an adsorbed gas and an adsorbing porous environment when the possible expansion of the pore is considered. In particular, we have studied the dilation of a carbon nanotube bundle when quantum gases are absorbed within the interstitial channels and also the possibility of gas (H2 and 4 He) intercalation between two graphene planes when the distance between them is allowed to change. We find that the dilation of the bundle increases significantly the binding energy of adsorption while intercalation between two graphene sheets is energetically unfavorable for both gases.