A Novel Perspective for M-Polynomials to Compute Molecular Descriptors of Borophene Nanosheet

Abstract

Nanomaterials feature exceptional, one-of-a-kind qualities that might be used in electronics, medicine, and other industries. Due to their unique photonic, electrical, catalytic, and magnetic capabilities as well as their use in helping immunotherapy, drug carriers, biosensors, electronic devices, etc., two dimensional materials are becoming considerably more important. Two-dimensional nanomaterials called borophene have a variety of intriguing characteristics. In the fields of chemistry, material science, nanotechnology, and condensed matter physics, they left an indelible impression thanks to their astounding physical and molecular characteristics. The concept of modelling the structure of a molecule or chemical network to a chemical graph and then quantitatively analysing the resulting graph with the aid of topological descriptors was a major advance in the fields of mathematics and chemistry. Topological descriptors are used in a wide range of fields, including chemistry, information technology, biology, quantitative structure-property relationships (QSPR), quantitative structure-activity relationships (QSAR), and many more. New descriptors that more closely connect with the structural characteristics of a chemical structure are being developed by researchers working on this idea. Finding a chemical graph's structural descriptors may be done in a variety of ways. It is discovered that the M-polynomial is a very versatile and quick method for computing the degree-based descriptors of chemical graphs or networks. The degree-based descriptors of the $\beta_{12}$-Borophene nanosheet are established in this study utilising the M-polynomial technique. At the conclusion, the numerical and graphical comparison based on the identified analytic expressions is also provided.

Computing Molecular Descriptors of Boron Icosahedral sheet

“…These boron sheets are experimentally synthesized and the properties of the boron sheets have been extensively investigated by aid of comprehensive density functional theory calculations. Detailed study regarding these allotropes can be seen in literature [6][7][8]58].…”

Fundamental Aspects of Skin Cancer Drugs via Degree-Based Chemical Bonding Topological Descriptors

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