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Journal of Nanomaterials
Volume 2007 (2007), Article ID 13617, 3 pages
http://dx.doi.org/10.1155/2007/13617
Research Article

Optical Polarizability of Zigzag Single-Walled Carbon Nanotubes Fullerene-Capped at One End and Covalently Bonded with Benzene Rings at the Other End

1Department of Biophysics, The faculty of Biology, National Taras Shevchenko University of Kyiv, Volodymyrska Street 64, Kyiv 01033, Ukraine
2Department of Mechanical Engineering, University of New Orleans, New Orleans 70148, LA, USA
3Department of Physics and Astronomy, Texas Christian University, TCU Box 298840, Fort Worth 76129, TX, USA

Received 26 March 2007; Accepted 31 July 2007

Academic Editor: S. Mathur

Copyright © 2007 O. V. Ogloblya et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Abstract

We report on the results of numerical simulations for the linear optical polarizability of single-walled zigzag (9,0) carbon nanotubes with modified ends. The nanotubes of a variable length are fullerene-capped at one end and covalently bonded to a hydrophobic cluster of nine benzene rings at the other end. We investigate electronic and optical properties of such structures within a framework of the Su-Schrieffer-Heeger model. We demonstrated that the localized states in this system exhibit nonlinear characteristics of excited states. The nanotubes have a strongly oscillating dependence of their optical polarizability on the energy of incident light. Spectral features of the optical polarizability drop in intensity and shift towards higher energies with a decrease in the length of a nanotube or upon fullerene-uncapping. The length dependence is similar for the nanotubes without benzene rings, capped either at one or both ends. Potential applications are suggested for hydrophobic pollutant control in liquid-purification systems.