Part of the NATO Science for Peace and Security Series C: Environmental Security book series (NAPSC)


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.


nanotubes defects and vacancies quantum-chemical calculations IR and UV spectra 


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© Springer Science + Business Media B.V. 2008

Authors and Affiliations

  1. 1.Pedagogical Institute of South Federal University Bolshaya SadovayaRostov-on-DonRussia

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