A ‘Scorpion’ like SWNT/carbon sheet molecular trap

In this work we have devised a ‘Scorpion’ like system composed of a zigzag (8,0) single walled carbon nanotube (SWNT) bound to a 20 ring carbon sheet by a two molecule glycine chain. DFT-BLYP/DND calculations were performed to analyze the ability of such a system to trap simple polar molecules in the cavities of the SWNT species as well as on the surface of the carbon sheet.