Second Hyper-Zagreb Index of Titania Nanotubes and Their Applications

摘要

Topological index is a numerical descriptor of a molecule, based on a certain topological feature of the corresponding molecular graph, it is found that there is a strong correlation between the properties of chemical compounds and their molecular structure. In the other side, titania nanotube is a well-known semiconductor and has numerous technological applications such as biomedical devices, dye-sensitized solar cells, and etc. In this paper, the second Hyper-Zagreb index and their coindex of Titania nanotubes have been computed. Furthermore, strong correlation coefficients between second Hyper-Zagreb index and some physicochemical properties such as Density (DENS), Molar volume (MV), Acentric factor (Acenfac) and Entropy (S) have been Appeared.