基于面度的磷化锗拓扑描述符

IF 1.2 4区 化学 Q4 CHEMISTRY, ANALYTICAL Chinese Journal of Analytical Chemistry Pub Date : 2024-08-01 DOI:10.1016/j.cjac.2024.100429
Haseeb AHMAD , Muhammad AZEEM
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引用次数: 0

摘要

在图论中,拓扑指数是提供图的结构特征信息的数字度量。面指数就是这样一种描述平面网络的拓扑指数。自石墨烯发现以来,二维二维晶体的谱系不断扩大,目前包含了大量具有纳米电子学所需的所有逻辑电学特性的晶体。纳米技术得益于使用类似于狄拉克的材料,如硅、石墨、半导体和锗烯,以及过渡金属二掺杂物 TMDC(磷烯)。标准拓扑描述符是用来描述分子结构特征的数值,与之相比,面指数提供了一种可能更全面地获取结构细节的方法。在涉及定量结构-性质关系(QSPR)的研究中,这可能会带来更精确的预测。我们计算了最近创建的磷化铟(GeP)的面指数及其多种形状,包括三角形、菱形、沙漏形和同心圆。
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Face-degree-based topological descriptors of germanium phosphide

In graph theory, topological indices are numerical metrics that give information about a graph’s structural traits. The face index is one such topological index that describes planar networks. Since the discovery of graphene, the genealogy of two-dimensional 2D crystals has expanded and currently contains a large variety that has all logical electrical properties required for nano electronics. Nanotechnology benefits from the use of materials that resemble Dirac, such as silicon, graphite, semiconductors, and germanene, as well as TMDC (phosporene), a transition metal dichalcogenide. In contrast with standard topological descriptors, which are numerical values utilised to characterise molecular structures, the face index presents a potentially more comprehensive method for obtaining structural details. In investigations involving quantitative structure-property relationships (QSPR), this may result in more precise predictions. We calculated the recently created face index of Germanium Phosphide (GeP) and its many shapes, including triangle, rhombus, hourglass, and concentric circles.

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来源期刊
CiteScore
3.60
自引率
25.00%
发文量
17223
审稿时长
35 days
期刊介绍: Chinese Journal of Analytical Chemistry(CJAC) is an academic journal of analytical chemistry established in 1972 and sponsored by the Chinese Chemical Society and Changchun Institute of Applied Chemistry, Chinese Academy of Sciences. Its objectives are to report the original scientific research achievements and review the recent development of analytical chemistry in all areas. The journal sets up 5 columns including Research Papers, Research Notes, Experimental Technique and Instrument, Review and Progress and Summary Accounts. The journal published monthly in Chinese language. A detailed abstract, keywords and the titles of figures and tables are provided in English, except column of Summary Accounts. Prof. Wang Erkang, an outstanding analytical chemist, academician of Chinese Academy of Sciences & Third World Academy of Sciences, holds the post of the Editor-in-chief.
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