On physical analysis of topological indices for iron disulfide network via curve fitting model

被引:3
作者
Huang, Rongbing [1 ]
Hanif, Muhammad Farhan [2 ]
Siddiqui, Muhammad Kamran [3 ]
Hanif, Muhammad Faisal [3 ]
Hanif, Saba [3 ]
Gegbe, Brima [4 ]
机构
[1] Chengdu Univ, Sch Comp Sci, Chengdu, Peoples R China
[2] Univ Lahore, Dept Math & Stat, Lahore Campus, Lahore, Pakistan
[3] COMSATS Univ Islamabad, Dept Math, Lahore Campus, Lahore, Pakistan
[4] Njala Univ, Dept Math & Stat, Freetown, Sierra Leone
来源
SCIENTIFIC REPORTS | 2024年 / 14卷 / 01期
基金
英国科研创新办公室;
关键词
Topological indices; Zagreb type indices; Atom bond connectivity index; Curve fitting model; Iron disulfide network; ZAGREB INDEX; REMOVAL; GRAPHS; ENERGY; FES2;
D O I
10.1038/s41598-024-70006-4
中图分类号
O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];
学科分类号
07 ; 0710 ; 09 ;
摘要
In this study, we conduct a comprehensive physical analysis of topological indices for the Iron Disulfide (FeS2\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$_{2}$$\end{document}) network using a curve-fitting model. Iron Disulfide is a cubic compound. In metamorphic rock, sedimentary rock, and quartz veins, it is typically found in combination with other sulfides or oxides. The numerical properties of molecular structures are referred to as topological indices. There are several different kinds of topological indices, including those that are based on distance, degree, or counting, among other factors. The real process of creating a topological index involves turning a chemical structure into a numerical value. In this paper, we calculate the iron disulfide network topological indices using the degrees of vertices in a chemical network of Iron Disulfide (FeS2\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$_{2}$$\end{document}). Thereafter, we discovered the physical parameters of FeS2\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$_{2}$$\end{document} production, such as heat of formation. We then fitted curves between the thermodynamic properties and several indices. Several techniques based on rationality, linearity, and nonlinearity were used to fit curves in MATLAB. These quantitative results imply that a variety of thermodynamic characteristics of semiconducting materials may be accurately predicted by topological indices. These findings have significant ramifications as they provide the groundwork for the application of topological indices in semiconducting network design and optimization, which might result in more effective and economical material creation.
引用
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页数:19
相关论文
共 46 条
  • [1] Degree-Based Topological Indices and QSPR Analysis of Antituberculosis Drugs
    Adnan, Mr.
    Bokhary, Syed Ahtsham Ul Haq
    Abbas, Ghulam
    Iqbal, Tanveer
    [J]. JOURNAL OF CHEMISTRY, 2022, 2022
  • [2] Topological analysis of tetracyanobenzene metal-organic framework
    Al-Dayel, Ibrahim
    Nadeem, Muhammad Faisal
    Khan, Meraj Ali
    [J]. SCIENTIFIC REPORTS, 2024, 14 (01)
  • [3] Amic D., 1996, J. Chem. Inf. Comput. Sci, V36, P619
  • [4] HIGHLY DISCRIMINATING DISTANCE-BASED TOPOLOGICAL INDEX
    BALABAN, AT
    [J]. CHEMICAL PHYSICS LETTERS, 1982, 89 (05) : 399 - 404
  • [5] On Topological Indices and QSPR Analysis of Drugs Used for the Treatment of Breast Cancer
    Bokhary, Syed Ahtsham Ul Haq
    Adnan
    Siddiqui, Muhammad Kamran
    Cancan, Murat
    [J]. POLYCYCLIC AROMATIC COMPOUNDS, 2022, 42 (09) : 6233 - 6253
  • [6] Bollobás B, 1998, ARS COMBINATORIA, V50, P225
  • [7] Bonchev D., 1991, CHEM GRAPH THEORY IN
  • [8] Disulfide disproportionation and CdS formation upon cadmium sorption on FeS2
    Bostick, BC
    Fendorf, S
    Fendorf, M
    [J]. GEOCHIMICA ET COSMOCHIMICA ACTA, 2000, 64 (02) : 247 - 255
  • [9] Shortest Path in LEO Satellite Constellation Networks: An Explicit Analytic Approach
    Chen, Quan
    Yang, Lei
    Zhao, Yong
    Wang, Yi
    Zhou, Haibo
    Chen, Xiaoqian
    [J]. IEEE JOURNAL ON SELECTED AREAS IN COMMUNICATIONS, 2024, 42 (05) : 1175 - 1187
  • [10] THE ELECTROCHEMICAL SURFACE REACTIVITY OF IRON SULFIDE, FES2
    CONWAY, BE
    KU, JCH
    HO, FC
    [J]. JOURNAL OF COLLOID AND INTERFACE SCIENCE, 1980, 75 (02) : 357 - 371