Comparative Study of Multilayered Graphene Using Numerical Descriptors Through M-Polynomial

Abstract

Molecular descriptors play a powerful role in encoding the information of a chemical compound using its molecular structure based on a defined algorithm. Regardless of the evolution in drug design, the main tool used in discovering the lead molecules of a drug refers to the use of topological descriptors. This article focusses on M-polynomial of multilayered graphene, viz., monolayer, bilayer and trilayer. Using the M-polynomial, eleven degree-based topological indices are derived for the said three structures. 3D-plot of the polynomials shows variation among the three types of graphene. The numerical and graphical comparison of the indices for varying values of n are tabulated for better understanding. © 2023 IOP Publishing Ltd.