2016-09-142016-09-142007-10-08https://repository.tcu.edu/handle/116099117/11458https://www.hindawi.com/journals/jnm/2007/013617/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.enhttps://creativecommons.org/licenses/by/3.0/nanotubesbenzenefullereneschemical purificationnanostructured materialspollutantspreventionArticleCC BY 3.0https://doi.org/10.1155/2007/13617