Distance based topological indices on multiwall carbon nanotubes samples obtained by electrolysis in molten salts

Andonovik B, Andova V,  Atanasova Pacemska T, Paunovic P,  Andonovic V, Djordjevic J, Dimitrov, A. Balkan Journal of Applied Mathematics and Informatics. 2020;3(1):7-12 (OA)

The interest for the intensive studies and methods of structural characterization of multiwall carbon nanotubes (MWCNTs) to date has resulted in many valuable contributions and amazingly wide application area. This work offers an approach that combines several techniques. It is the first direct application of graph theory upon nanotubical structures obtained by electrolysis in molten salts using non-stationary current regimes. The spectroscopic data enables studying the diameters and performing an (n,m) assignment of nanotube samples. Using the graph representation and the chirality of the studied samples, different distance based topological indices (Wiener, Balaban, Sum-Balaban, and Gutman indices) have been evaluated in order to enable further prediction of index-related properties of the molecules.

European Cooperation in Science and Technology (COST) logo
EU flag logo

Funded by the Horizon 2020 Framework Programme
of the European Union