Determination of the molecular structure and (m,n) index assignment to the constituent walls of MWCNTs with undetermined diameters and chirality

Each carbon nanotube (CNT) has its own mathematical representation due to its hexagonal lattice structure. The subjects of research are multi-wall carbon nanotubes (MWCNTs) and determining their structural parameters: innermost and outermost diameters, chiral indices m and n , number of walls and their unit cell parameters. Within this paper low frequency region and corresponding high frequency parts of Raman spectra of three experimentally produced CNTs are considered, as well as use of Python programming for the most accurate ( m , n ) assignment. Determining the chirality of these samples enables calculation of other structural properties which are performed hereby. Furthermore, this author’s work enables future studies on the samples, as are calculation of different topological indices using the graph representation and the chirality of the studied CNT samples.