Reduced reverse degree-based topological indices of graphyne and graphdiyne nanoribbons with applications in chemical analysis

Shahid Zaman; K H Hakami; Sadaf Rasheed; Fekadu Tesgera Agama

doi:10.1038/s41598-023-51112-1

Reduced reverse degree-based topological indices of graphyne and graphdiyne nanoribbons with applications in chemical analysis

Sci Rep. 2024 Jan 4;14(1):547. doi: 10.1038/s41598-023-51112-1.

Authors

Shahid Zaman¹, K H Hakami², Sadaf Rasheed³, Fekadu Tesgera Agama⁴

Affiliations

¹ Department of Mathematics, University of Sialkot, Sialkot, 51310, Pakistan. zaman.ravian@gmail.com.
² Department of Mathematics, Faculty of Science, Jazan University, 45142, Jazan, Saudi Arabia.
³ Department of Mathematics, University of Sialkot, Sialkot, 51310, Pakistan.
⁴ Department of Mathematics, Wollega University, 395, Nekemte, Ethiopia. fekadutesgera@wollegauniversity.edu.et.

Abstract

Graphyne and Graphdiyne Nanoribbons reveal significant prospective with diverse applications. In electronics, they propose unique electronic properties for high-performance nanoscale devices, while in catalysis, their excellent surface area and reactivity sort them valuable catalyst supports for numerous chemical reactions, contributing to progresses in sustainable energy and environmental remediation. The topological indices (TIs) are numerical invariants that provide important information about the molecular topology of a given molecular graph. These indices are essential in QSAR/QSPR analysis and play a significant role in predicting various physico-chemical characteristics. In this article, we present a formula for computing reduced reverse (RR) degree-based topological indices for graphyne and graphdiyne nanoribbons, including the RR Zagreb indices, RR hyper-Zagreb indices, RR forgotten index, RR atom bond connectivity index, and RR Geometric-arithmetic index. We also execute a graph-theoretical analysis and comparison to demonstrate the critical significance and validate the acquired results. Our findings provide insights into the structural and chemical properties of these nanoribbons and contribute to the development of new materials for various applications.