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Abstract

We have previously devised a “scorpion” like system which is composed of a zigzag (8,0) single walled carbon nanotube attached to a 20 ringed graphene sheet by a glycine dimer species. Theoretical density functional theory calculations on a potential mechanism driven by a metal induced charge transfer process has been proposed for the extraction of molecules from nanotubes.

Keywords  Polar molecules - Metals - SWNT - Carbon sheet - DFT-BLYP

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