G B Abadir et al 2010 Nanotechnology 21 015202 doi:10.1088/0957-4484/21/1/015202
G B Abadir, K Walus and D L Pulfrey
Show affiliationsWe study the interaction between short semi-metallic carbon nanotubes and different amino acids using molecular dynamics and ab initio (density functional theory/non-equilibrium Green's function) simulations. We identify two different mechanisms of nanotube conductance change upon adsorption of amino acids: one due to the change of the coordinates of the nanotube arising from van der Waals forces of interaction with the adsorbed amino acid; and one due to electrostatic interactions, which appear only in the case of charged amino acids. We also find that the transport mechanism and the changes in the conductance of the tube upon amino acid adsorption are bias dependent.
Issue 1 (8 January 2010)
Received 10 August 2009, in final form 5 November 2009
Published 30 November 2009
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