Computation of the face index of certain graphene nanostructures
摘要
Graphene nanostructures (GNSs) exhibit unique electronic and magnetic properties dependent on their shape and size. This research investigates the face index, a topological descriptor derived from chemical graph theory, as a means to characterize the structural topology of three distinct regular convex polygons: triangles, hexagonal, and rhombus-shaped GNSs, which are the most simple high-symmetry convex structures that can be ideally cut out of a graphene layer. We calculate the face index for these three geometries using graph theoretical methods. The results offer quantitative insights into the structure of these nanomaterials and provide a valuable contribution toward understanding structure–property relationships in graphene-based systems.