Second Hyper-Zagreb Index of Titania Nanotubes and Their Applications

Abdu Alameri

doi:10.1109/access.2021.3050774

Abdu Alameri

Open Access

https://doi.org/10.1109/access.2021.3050774

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Abstract

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.

Highlights

Titania nanotubes are a semiconductor widely used in numerous technological applications
During the last two decades, titania nanotubes were systematically synthesized were carefully studied as prospective technological materials
We select those physicochemical properties of octane isomers which give reasonably strong or good correlations, i.e., the absolute value of correlation coefficient between the second Hyper-Zagreb index and Acentric factor (AcenFac) is strong correlated |r| = 0.92284, and the absolute value of correlation coefficients between the second Hyper-Zagreb index and Entropy (S), Molar volume (MV) and Density (DENS), are good correlated larger than 0.80. we can say that the second Hyper-Zagreb index is possible tools for QSPR researches

Summary

INTRODUCTION

Titania nanotubes are a semiconductor widely used in numerous technological applications. De [2] studied some topological indices such as F-index, reformulated first Zagreb index, and hyper-Zagreb index of titania nanotubes, Malik and Imran [3] studied the Zagreb indices and Nadeem and Shaker [4] studied the eccentric connectivity index of an infinite class of this type of nanotubes Topological indices and their coindices are real numbers related to graphs, they have many applications as tools for modeling chemical and other properties of molecules. Ghobadi and Ghorbaninejad in 2018 are computed exact formulas for the Zagreb and Hyper-Zagreb indices of Some Molecular Graphs [13] They defined a new degree-based Zagreb index named Forgotten topological index or ’’Hyper F-index’’ defined as: HF(G) =.

Alameri

PRELIMINARIES

APPLICATIONS

CONCLUDING REMARKS