Prismatic modifications of single-walled carbon nanotubes and their electronic properties: Regular adsorption of fluorine atoms on graphene surfaces of nanotubes

摘要

The regular adsorption of fluorine atoms on surfaces of single-walled carbon nanotubes along their axes can lead to a modification of cylindrical carbon cores of these single-walled carbon nanotubes to carbon cores that have a nearly prismatic shape (prismatic modification). In faces of these modified single-walled carbon nanotubes, there can arise quasi-one-dimensional isolated carbon conjugated subsystems (tracks) with different structures. It has been established that the main characteristics of the single-walled carbon nanotubes thus modified are rather close to the corresponding characteristics of the related isostructural polymer conjugated systems (such as cis-polyenes, polyphenylenes, poly(periacenes), or polyphenantrenes). Fragments of model nanotubes of the (n, n) and (n, 0) types that contain up to 360 carbon atoms and their derivatives doped with fluorine atoms have been calculated using the semiempirical parametric method 3.