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<article article-type="research-article" dtd-version="1.3" xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xml:lang="en"><front><journal-meta><journal-id journal-id-type="publisher-id">najo</journal-id><journal-title-group><journal-title xml:lang="en">Nanosystems: Physics, Chemistry, Mathematics</journal-title><trans-title-group xml:lang="ru"><trans-title>Наносистемы: физика, химия, математика</trans-title></trans-title-group></journal-title-group><issn pub-type="ppub">2220-8054</issn><issn pub-type="epub">2305-7971</issn><publisher><publisher-name>Университет ИТМО</publisher-name></publisher></journal-meta><article-meta><article-id pub-id-type="doi">10.17586/2220-8054-2018-9-1-73-75</article-id><article-id custom-type="elpub" pub-id-type="custom">najo-1402</article-id><article-categories><subj-group subj-group-type="heading"><subject>Research Article</subject></subj-group><subj-group subj-group-type="section-heading" xml:lang="ru"><subject>Статьи</subject></subj-group></article-categories><title-group><article-title>Optical properties of defective carbon nanotube (7,7)</article-title><trans-title-group xml:lang="ru"><trans-title></trans-title></trans-title-group></title-group><contrib-group><contrib contrib-type="author" corresp="yes"><name-alternatives><name name-style="western" xml:lang="en"><surname>Sozykin</surname><given-names>S. A.</given-names></name></name-alternatives><bio xml:lang="en"><p>Chelabinsk</p></bio><xref ref-type="aff" rid="aff-1"/></contrib><contrib contrib-type="author" corresp="yes"><name-alternatives><name name-style="western" xml:lang="en"><surname>Beskachko</surname><given-names>V. P.</given-names></name></name-alternatives><bio xml:lang="en"><p>Chelabinsk</p></bio><xref ref-type="aff" rid="aff-1"/></contrib></contrib-group><aff-alternatives id="aff-1"><aff xml:lang="en">South Ural State University<country>Russian Federation</country></aff></aff-alternatives><pub-date pub-type="collection"><year>2018</year></pub-date><pub-date pub-type="epub"><day>24</day><month>08</month><year>2025</year></pub-date><volume>9</volume><issue>1</issue><elocation-id>73–75</elocation-id><permissions><copyright-statement>Copyright &amp;#x00A9; Sozykin S.A., Beskachko V.P., 2025</copyright-statement><copyright-year>2025</copyright-year><copyright-holder xml:lang="ru">Sozykin S.A., Beskachko V.P.</copyright-holder><copyright-holder xml:lang="en">Sozykin S.A., Beskachko V.P.</copyright-holder><license license-type="creative-commons-attribution" xlink:href="https://creativecommons.org/licenses/by/4.0/" xlink:type="simple"><license-p>This work is licensed under a Creative Commons Attribution 4.0 License.</license-p></license></permissions><self-uri xlink:href="https://nanojournal.ifmo.ru/jour/article/view/1402">https://nanojournal.ifmo.ru/jour/article/view/1402</self-uri><abstract><p>The current article presents the results of a study of the effect of single-walled carbon nanotubes carcass defects on their electronic structures and optical properties. The study was carried out using an ab-initio quantum mechanical approach: the pseudo-potential method in the density functional theory (DFT) framework in the local density approximation. It is shown that the defects of a single or double vacancy, and Stone- Wales change the absorption spectrum of nanotubes. This can be expressed in the appearance of absorption in the low-energy region and in the smearing of the absorption peaks corresponding to electron transitions between Van Hove singularities near the Fermi energy.</p></abstract><kwd-group xml:lang="en"><kwd>carbon nanotube</kwd><kwd>density of states</kwd><kwd>band structure</kwd><kwd>adsorption</kwd></kwd-group><funding-group xml:lang="en"><funding-statement>The work was supported by Act 211 Government of the Russian Federation, contract No. 02.A03.21.0011.</funding-statement></funding-group></article-meta></front><back><ref-list><title>References</title><ref id="cit1"><label>1</label><citation-alternatives><mixed-citation xml:lang="ru">Fantini C., Jorio A., Souza M., Strano M., Dresselhaus M., Pimenta M. Optical Transition Energies for Carbon Nanotubes from Resonant Raman Spectroscopy: Environment and Temperature Effects. Phys. Rev. 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AIP Advances, 2015, 5(7), P. 77155.</mixed-citation></citation-alternatives></ref></ref-list><fn-group><fn fn-type="conflict"><p>The authors declare that there are no conflicts of interest present.</p></fn></fn-group></back></article>
