波浪形之字形纳米带基于度的杂化拓扑指数和熵

IF 2 3区 化学 Q3 CHEMISTRY, PHYSICAL
H. M. Nagesh
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引用次数: 0

摘要

石墨烯纳米带(GNRs)由于其优异的电子性能,近年来作为二维半导体的替代材料受到了广泛的关注。石墨烯纳米带的拓扑和熵特性对于全面了解其电子特性非常重要。具有之字形边缘的石墨烯纳米带是石墨烯的窄条,其特征是边缘形成之字形图案。在这项研究中,我们得到了基于度的拓扑指数的解析表达式,揭示了由边缘呈锯齿状的纳米石墨烯单元组成的石墨烯纳米带的结构特性。此外,我们证明了混合算法、几何、谐波和基于萨格勒布度的拓扑和熵指标的不同变化对这些波浪之字形纳米带的有用性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Degree-Based Hybrid Topological Indices and Entropies of Wavy Zigzag Nanoribbons

Graphene nanoribbons (GNRs) have recently accumulated attention as alternative 2D semiconductors due to their remarkable electronic properties. The topological and entropy properties of graphene nanoribbons are very important to fully understand their electronic properties. Graphene nanoribbons with zigzag-shaped edges are narrow strips of graphene characterized by edges that form a zigzag pattern. In this study, we have obtained the analytical expressions for degree-based topological indices to uncover the structural properties of graphene nanoribbons composed of nanographene units with zigzag-shaped edges. Furthermore, we demonstrate the usefulness of different variations of hybrid arithmetic, geometric, harmonic, and Zagreb degree-based topological and entropy indices for these wavy zigzag nanoribbons.

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来源期刊
International Journal of Quantum Chemistry
International Journal of Quantum Chemistry 化学-数学跨学科应用
CiteScore
4.70
自引率
4.50%
发文量
185
审稿时长
2 months
期刊介绍: Since its first formulation quantum chemistry has provided the conceptual and terminological framework necessary to understand atoms, molecules and the condensed matter. Over the past decades synergistic advances in the methodological developments, software and hardware have transformed quantum chemistry in a truly interdisciplinary science that has expanded beyond its traditional core of molecular sciences to fields as diverse as chemistry and catalysis, biophysics, nanotechnology and material science.
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