Topological indices and entropy measures in cove-edged graphene nanoribbons using curve-fitting models

IF 2.5 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Applied Physics A Pub Date : 2024-12-23 DOI:10.1007/s00339-024-08081-7
H. M. Nagesh, U. Vijaya Chandra Kumar, Muhammad Kamran Siddiqui
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Abstract

Graphene nanoribbons (GNRs) with precise structural properties have become attractive options for next-generation nanoelectronics because of their adaptable electrical topologies and their uses in quantum electronics, photovoltaics, and transistors. These interesting properties have recently collected significant attention in the field. Cove-edged graphene nanoribbons (CGNRs) are especially interesting because of their distinctive electromagnetic properties. This type of nanoribbon features asymmetric edges composed of sequential hexagons, exhibiting remarkable mechanical and electrical properties. In this paper, we find the new Zagreb-type topological indices and the corresponding entropy measures of graphene nanoribbons with curved edges. We establish correlation analysis between the Zagreb-type indices and entropy measures through the curve-fitting model and the Pearson correlation coefficient. The results of this study may reduce the amount of work needed to investigate the physicochemical characteristics of graphene nanoribbons with curved edges.

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基于曲线拟合模型的凹边石墨烯纳米带拓扑指标和熵测度
具有精确结构特性的石墨烯纳米带(gnr)由于其适应性强的电拓扑结构以及在量子电子学、光伏和晶体管中的应用,已成为下一代纳米电子学的有吸引力的选择。这些有趣的性质最近在该领域引起了极大的关注。凹边石墨烯纳米带(cgnr)由于其独特的电磁特性而特别有趣。这种类型的纳米带具有由连续六边形组成的不对称边缘,具有显着的力学和电学性能。本文研究了具有弯曲边缘的石墨烯纳米带的zagreb型拓扑指标及其熵测度。通过曲线拟合模型和Pearson相关系数建立了萨格勒布型指数与熵测度之间的相关分析。本研究的结果可能会减少研究具有弯曲边缘的石墨烯纳米带的物理化学特性所需的工作量。
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来源期刊
Applied Physics A
Applied Physics A 工程技术-材料科学:综合
CiteScore
4.80
自引率
7.40%
发文量
964
审稿时长
38 days
期刊介绍: Applied Physics A publishes experimental and theoretical investigations in applied physics as regular articles, rapid communications, and invited papers. The distinguished 30-member Board of Editors reflects the interdisciplinary approach of the journal and ensures the highest quality of peer review.
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