A Generalized Nomenclature Scheme for Graphene Pores, Flakes, and Edges, and an Algorithm for Their Generation and Numbering

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. © 2023 by the author