• 文献标题:   Anti-prismatic modifications of single-walled carbon nanotubes and their electronic properties: Regular adsorption of fluorine atoms on graphene surfaces of nanotubes
  • 文献类型:   Article
  • 作  者:   TOMILIN OB, MURYUMIN EE, RODIONOVA EV
  • 作者关键词:  
  • 出版物名称:   PHYSICS OF THE SOLID STATE
  • ISSN:   1063-7834 EI 1090-6460
  • 通讯作者地址:   Mordovian NP Ogarev State Univ
  • 被引频次:   2
  • DOI:   10.1134/S1063783413110267
  • 出版年:   2013

▎ 摘  要

The regular adsorption of fluorine atoms on the surfaces of single-walled carbon nanotubes along their cylindrical axes leads to a modification of cylindrical carbon skeletons of these single-walled carbon nanotubes into carbon skeletons that have a nearly "anti-prismatic" shape (anti-prismatic modifications). In the faces of these modified single-walled carbon nanotubes, there can arise quasi-one-dimensional isolated carbon conjugated subsystems (tracks) with different structures. Model fragments of nanotubes of the (n, 0) type that contain up to 360 carbon atoms and their derivatives with regularly adsorbed fluorine atoms on the graphene surface have been calculated using the semiempirical PM3 method. It has been found that the main properties of the single-walled carbon nanotubes modified by the above method are determined by the character of the conjugation of the electrons in isolated carbon tracks, which is close to the character of the conjugation of the electrons in the initial single-walled carbon nanotubes.