Classification of spe-bonded carbon allotropes in two dimensions

A taxonomy for spe carbon allotropes in two dimensions (2D) is proposed where single-layer structures are assigned a unique symbol associated with the geometry of each allotrope. The naming scheme is demonstrated for structures described in the literature and is further illustrated for a number of other topology-allowed spe carbon systems. The symbol is easy to use and gives a direct access to geometrical features such as the number of polygons and their arrangement. It facilitates the classification of structures reported in the literature, where many such structures are found to have been assigned a name based on each author's somewhat arbitrary choice. This naming scheme will help rationalize future studies on this class of systems. A comparative study of the energetics of the structures is also performed, using a consistent set of numerical parameters. The naming scheme can be expanded to carbon systems with mixed hybridizations and to other non-carbon 2D systems.

Automated summary

This article proposes a taxonomy for two-dimensional single-layer carbon allotropes, where each allotrope is assigned a unique symbol based on its geometry. The naming scheme is demonstrated for known structures and additional topology-allowed carbon systems. The symbol provides easy access to geometrical features and simplifies the classification of structures in the literature, which often have arbitrary names. This naming scheme will aid future studies on this class of systems. The energetic properties of the structures are also compared using consistent numerical parameters. The naming scheme can be extended to carbon systems with mixed hybridizations and other non-carbon 2D systems.