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

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

Volume: 4 Issue: 1

Author(s): Amirhasan Nourbakhsh

Affiliation:

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

Abstract: 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.

Cite this article as:

Nourbakhsh Amirhasan, Complexing Energies and Angular Translation of Small Carbon Nanotube-Noble Gas Clusters, Current Nanoscience 2008; 4 (1) . https://dx.doi.org/10.2174/157341308783591744