2022/02/14 by Shaoqing Li, Li, Shaoqing
Chemistry · Engineering · Materials Science · #Combinatorics (math.CO) #FOS: Mathematics #Fullerene Chemistry and Applications #Graphene research and applications #Molecular Junctions and Nanostructures
paper · pdf · doi:10.48550/arxiv.2202.06475
openalex publication_date 2022/02/14 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
A fullerene graph can be embedded in a piecewise linear 2-manifold with each non-hexagonal carbon ring corresponding to a cone vertex. Adjacent two or three such vertices can be combined as a cluster cut out from a parent cone round a parent vertex. The locations for the combined vertices are distributed on their parent cone with certain symmetries. With proper combinations, a fullerene can be simplified to a parent structure easily to be parameterized. And then, with additional parameters for the combined vertices in each cluster, the fullerene can also be parameterized. Such parameters may be different for fullerenes from type to type, but they are able to characterize the specific shape for each type.