On comparative analysis of graph entropies of symmetrical carbon nanotube Y-junctions

Abstract

Entropy is crucial in statistical mechanics, thermodynamics, and information theory as it measures a system’s level of randomness or disorder. Entropy is widely used in mathematical chemistry and computational physics to predict the behavior of a system under various conditions. Among numerous carbon nanotube structures, three-terminal carbon nanotube junctions are important structures not only for electrical but also for mechanical appliances. Recently, significant attention has been given to the understanding of carbon nanotube junctions. This research paper focuses on calculating graph entropies based on Zagreb indices for symmetrical single-walled armchair carbon nanotube Y − junctions and comparing the index-entropies of these junctions. The study aims to demonstrate the behavior of the nanotube Y − junctions by adding atoms at the end of the tubes.