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