On topological analysis of two-dimensional covalent organic frameworks via M-polynomial.

Autor: Yang H; School of Computer Science, Chengdu University, Chengdu, China., Hanif MF; Department of Mathematics and Statistics, The University of Lahore, Lahore Campus, Lahore, Pakistan., Siddiqui MK; Department of Mathematics, COMSATS University Islamabad, Lahore Campus, Lahore, Pakistan., Hussain M; Department of Mathematics, COMSATS University Islamabad, Lahore Campus, Lahore, Pakistan., Hussain N; Department of Mathematics, COMSATS University Islamabad, Lahore Campus, Lahore, Pakistan., Fufa SA; Department of Mathematics, Addis Ababa University, Addis Ababa, Ethiopia. samuel.asefa@aau.edu.et.
Jazyk: angličtina
Zdroj: Scientific reports [Sci Rep] 2024 Mar 23; Vol. 14 (1), pp. 6931. Date of Electronic Publication: 2024 Mar 23.
DOI: 10.1038/s41598-024-57291-9
Abstrakt: Covalent organic frameworks (ZnP-COFs) made of zinc-porphyrin have become effective materials with a variety of uses, including gas storage and catalysis. To simulate the structural and electrical features of ZnP-COFs, this study goes into the computation of polynomials utilizing degree-based indices. We gave a methodical study of these polynomial computations using Excel, illustrating the complex interrelationships between the various indices. Degree-based indices provide valuable insights into the connectivity of vertices within a network. M-polynomials, on the other hand, offer a mathematical framework for representing and studying the properties of 2D COFs. By encoding structural information into a polynomial form, M-polynomials facilitate the calculation of various topological indices, including the Wiener index, Zagreb indices, and more. The different behavior of ZnP-COFs based on degree-based indices was illustrated graphically, and this comparison provided insightful information for prospective applications and the construction of innovative ZnP-COF structures. Moreover, we discuss the relevance of these techniques in the broader context of materials science and the design of functional covalent organic frameworks.
(© 2024. The Author(s).)
Databáze: MEDLINE
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