A comparative study of entropy measure using logarithmic and power regression models for rhenium disulfide network

IF 2.2 4区 化学 Q2 Engineering
Nasreen Ebrahim Almohanna, Muhammad Farhan Hanif, Khawlah Hamad Alhulwah, Mazhar Hussain, Muhammad Kamran Siddiqui
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引用次数: 0

Abstract

Two-dimensional rhenium disulfide is a new member of the transition metal dichalcogenides family and has some unique structural properties, including weak band renormalization, limited interlayer coupling, and absence of interlayer registry due to Peierls distortion within its framework. These properties make it an attractive material for various applications in nanotechnology and materials science. The objective of the current study has gone into computing a number of connection-based invariants useful for the computations of different various types of Zagreb indices, using rhenium disulfide as mathematical descriptor carrying the main ideas on the material’s structural property. Further, from these calculated indices, it comes out on a method of measuring its entropy that is the real key value on quantification for disorderliness or structure complexity of that matter. We consider here a logarithmic regression model along with the power one so as to show the entropy computed index variation analysis. Results indicated a much better fit of the logarithmic regression model than that of power regression. This finding confirmed that the logarithmic model described the rhenium disulfide connection characteristics properly and provided important insights into its structural behavior and functional uses. The results of this work have important consequences in nanotechnology and in materials science, particularly in relation to optimizing rhenium disulfide’s structure analysis for electronic and optoelectronic application. Details regarding variation in entropy through topological indices can have consequences in terms of theoretical modeling of behavior in a material in semiconductor technology and in technology for storing energy.

二硫化铼网络的对数和幂回归模型熵测度的比较研究
二维二硫化铼是过渡金属二硫族的新成员,具有一些独特的结构性质,包括弱带重整化,层间耦合有限,以及由于其框架内的Peierls畸变而不存在层间注册。这些特性使其成为纳米技术和材料科学中各种应用的有吸引力的材料。当前研究的目标是计算一些基于连接的不变量,这些不变量用于计算不同类型的萨格勒布指数,使用二硫化铼作为承载材料结构特性主要思想的数学描述符。进一步,从这些计算指标中,得出了一种测量其熵的方法,这是量化该物质的无序性或结构复杂性的真正关键值。这里我们考虑一个对数回归模型和幂回归模型,以显示熵计算指标的变化分析。结果表明,对数回归模型的拟合效果明显优于幂回归模型。这一发现证实了对数模型正确地描述了二硫化铼的连接特征,并为其结构行为和功能用途提供了重要的见解。这项工作的结果在纳米技术和材料科学中具有重要的意义,特别是在优化电子和光电子应用的二硫化铼结构分析方面。通过拓扑指数关于熵变化的细节可以在半导体技术和存储能量技术中对材料行为的理论建模方面产生影响。
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来源期刊
Chemical Papers
Chemical Papers Chemical Engineering-General Chemical Engineering
CiteScore
3.30
自引率
4.50%
发文量
590
期刊介绍: Chemical Papers is a peer-reviewed, international journal devoted to basic and applied chemical research. It has a broad scope covering the chemical sciences, but favors interdisciplinary research and studies that bring chemistry together with other disciplines.
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