Abstract
The influence of vacancies and defects on equilibrium configuration and electronic structure of single-wall carbon nanotubes is investigated. In the framework of semi-empirical PM3-method the IR and UV absorption spectra of fragment (12, 0)-tube C192 and of the same fragment with the vacancies of simplest kinds and with Stone-Wales defect are calculated.
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A.P. Popov, I.V. Bazhin. Influence of impurities and defects on electronic structure of carbon nanotubes. NATO Science Series, ICHMS'2005, ed. by T.N. Veziroglu et Al., Springer, 2007, 795–799
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Popov, A.P., Bazhin, I.V. (2008). INFLUENCE OF IMPURITIES AND DEFECTS ON ELECTRONIC STRUCTURE OF CARBON NANOTUBES. In: Baranowski, B., Zaginaichenko, S.Y., Schur, D.V., Skorokhod, V.V., Veziroglu, A. (eds) Carbon Nanomaterials in Clean Energy Hydrogen Systems. NATO Science for Peace and Security Series C: Environmental Security. Springer, Dordrecht. https://doi.org/10.1007/978-1-4020-8898-8_44
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DOI: https://doi.org/10.1007/978-1-4020-8898-8_44
Publisher Name: Springer, Dordrecht
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Online ISBN: 978-1-4020-8898-8
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