Computation of some important degree-based topological indices for ?- graphyne and Zigzag graphyne nanoribbon

Topological indices serve as mathematical tools for characterising the molecular structure of a compound, and are useful to anticipate its properties. Actually, these are quantitative measures that can provide valuable information regarding the structure of a molecule, such as its connectivity and symmetry. By analysing these indices, researchers can make predictions about the behaviour of the molecule, such as its reactivity, solubility, and toxicity, among others. The ?-Graphyne is a fascinating carbon allotrope that has recently gained significant attention due to its unique electronic, optical, and mechanical properties. As a result, there has been increasing interest in exploring its potential applications in various fields of science and technology. The molecular descriptors for the characterisation of ?-Graphyne have not yet been investigated. Therefore, it is of much importance to predict its molecular topology to well understand the physicochemical properties. In this work, a graph theory-based edge partitioning technique is used to model the molecular topology of ?-Graphyne and Zigzag graphyne nanoribbon, and mathematical closed-form expressions for some of its essential degree-based molecular descriptors are derived. These computed indices have been illustrated with the help of graphical representations and numerical tables.

Automated summary

Topological indices are mathematical tools used to characterize the molecular structure of a compound and predict its properties. In this study, a graph theory-based technique is used to model the molecular topology of ?-Graphyne and Zigzag graphyne nanoribbon, and mathematical expressions for some essential degree-based molecular descriptors are derived. These computed indices are illustrated with graphical representations and numerical tables.