Topological Descriptors of M-Carbon  M   r , s , t

Hong Yang,Muhammad Naeem

doi:10.1155/2021/8792585

Abstract

We have studied topological indices of the one the hardest crystal structures in a given chemical system, namely, M-carbon. These structures are based and obtained by the famous algorithm USPEX. The computations and applications of topological indices in the study of chemical structures is growing exponentially. Our aim in this article is to compare and compute some well-known topological indices based on degree and sum of degrees, namely, general Randić indices, Zagreb indices, atom bond connectivity index, geometric arithmetic index, new Zagreb indices, fourth atom bond connectivity index, fifth geometric arithmetic index, and Sanskruti index of the M-carbon M r , s , t . Moreover, we have also computed closed formulas for these indices.

Highlights

One of the hardest structures of carbon is diamond
Some studies exist giving indications that these types of carbon allotropes such as M-carbon have been obtained by applying cold compression on graphite [2, 3]
A list of topological indices that we shall discuss in this study is given in Table 1, which includes Randicindex, general Randicindices, Zagreb indices, atom bond connectivity index, geometric arithmetic indices, new Zagreb indices, fourth atom bond connectivity index, fifth geometric arithmetic index, and Sanskruti index

Summary

Introduction

One of the hardest structures of carbon is diamond. In 2011, Andriy and Artem searches 9500 structures of different system sizes, and they produced a large number of superhard allotropes; these allotropes being as hard as diamonds [1]. One of the superhard carbon allotropes that they studied was M-carbon (Figure 1). Some studies exist giving indications that these types of carbon allotropes such as M-carbon have been obtained by applying cold compression on graphite [2, 3]. We intend to study and compute the degree-based topological indices of M-carbon structures. The scientists of various field started exploring this new technique to study chemical and physical properties of chemical structure, compounds, and molecules.

Sanskruti index

Comparison and Discussion

Conclusion