Current Nanoscience


Complexing Energies and Angular Translation of Small Carbon Nanotube-Noble Gas Clusters

Author(s): Amirhasan Nourbakhsh.


The structures and the nonbonded intermolecular interactions of the endohedral and exohedral 4Å-diameter carbon nanotubenoble gas clusters, NG@CNT (NG = He, Ne, Ar, Kr, and Xe) are evaluated and calculated using the atom-atom potential method. The complexing energies are determined with a Lennard-Jones model. Complexing energies are significantly dependent on azimuthal angle. Endohedral complexes are more stable; consequently, noble gases can be accommodated into 4 Å diameter carbon nanotubes. While slightly larger atoms Ar, Kr, and Xe atoms are more stable.

Keywords: Carbon nanotube, Leonard-Jones model, Complexing energy

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Article Details

Year: 2008
Page: [98 - 100]
Pages: 3
DOI: 10.2174/157341308783591744