HEXAGONAL BORON NITRIDE NETWORKS: CLOSED-FORM EXPRESSIONS AND COMPARATIVE ANALYSIS OF MOSTAR, PI, AND SZEGED-TYPE INDICES

Abstract

In the study of molecular structures, topological indices are crucial, especially in mathematical chemistry where they are employed to describe the physicochemical characteristics of compounds. In this work, we examine various topological indices of the hexagonal boron nitride network based on degree and distance. In particular, we use the cut method to calculate the vertex, edge, and total variants of the Mostar, PI, and Szeged indices. The number of horizontal rings in the network, denoted by the structural parameter , is used to derive closed-form expressions for these indices. The results show that the Szeged index has hexic growth behavior, whereas the Mostar and PI indices grow quadratically. Additionally, to show how these indices vary for various values of  and to compare them with corresponding values for carbon nanotube structures, numerical calculations and graphical comparisons are provided. The findings show these indices’ structural sensitivity and discriminating power, which could be helpful in researching the chemical stability, reactivity, and other molecular characteristics of boron nitride-based nanomaterials.