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

被引:35
|
作者
Hakeem, Abdul [1 ]
Ullah, Asad [2 ]
Zaman, Shahid [3 ,4 ]
机构
[1] Cent South Univ, Sch Math & Stat, Changsha, Peoples R China
[2] Karakoram Int Univ Gilgit, Dept Math Sci, Gilgit, Pakistan
[3] Univ Sialkot, Dept Math, Sialkot, Pakistan
[4] Univ Sialkot, Dept Math, Sialkot 51310, Pakistan
关键词
Molecular graph; topological indices; gamma; -graphyne; zigzag graphyne; ATOM-BOND CONNECTIVITY; MOLECULAR-STRUCTURE; GRAPHENE; NETWORK;
D O I
10.1080/00268976.2023.2211403
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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.
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页数:9
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