Fthenakis Zacharias G
Istituto Nanoscienze, Consiglio Nazionale delle Ricerche (CNR), 56127 Pisa, Italy.
Theoretical and Physical Chemistry Institute, National Hellenic Research Foundation, 11635 Athens, Greece.
Nanomaterials (Basel). 2023 Aug 15;13(16):2343. doi: 10.3390/nano13162343.
In the present study, we generalize our recently proposed nomenclature scheme for porous graphene structures to include graphene flakes and (periodic) edges, i.e., nanographenes and graphene nanoribbons. The proposed nomenclature scheme is a complete scheme that similarly treats all these structures. Beyond this generalization, we study the geometric features of graphene flakes and edges based on ideas from the graph theory, as well as the pore-flake duality. Based on this study, we propose an algorithm for the systematic generation, identification, and numbering of graphene pores, flakes, and edges. The algorithm and the nomenclature scheme can also be used for flakes and edges of similar honeycomb systems.
在本研究中，我们将最近提出的多孔石墨烯结构命名方案进行了推广，以涵盖石墨烯薄片和（周期性）边缘，即纳米石墨烯和石墨烯纳米带。所提出的命名方案是一个完整的方案，对所有这些结构进行了类似的处理。除了这种推广之外，我们基于图论的思想以及孔 - 薄片对偶性研究了石墨烯薄片和边缘的几何特征。基于这项研究，我们提出了一种用于石墨烯孔、薄片和边缘的系统生成、识别和编号的算法。该算法和命名方案也可用于类似蜂窝系统的薄片和边缘。
