https://doi.org/10.1140/epjp/s13360-023-04307-4
Regular Article
Topological analysis of hexagonal and rectangular porous graphene with applications to predicting 
-electron energy
Department of Mathematics, School of Advanced Sciences, Vellore Institute of Technology, 632014, Vellore, Tamil Nadu, India
Received:
23
March
2023
Accepted:
15
July
2023
Published online:
31
July
2023
Porous graphene (PG) is a class of graphene-related materials with nanopores in the plane. PG has properties distinct from graphene and broad possible uses in fields such as hydrogen storage and supercapacitors. Topological indices are numerical quantities that describe the topology of a graph and are usually graph invariant. Entropy measurements are a type of topological descriptor with a wide range of applications, including quantitative characterization of structural features and investigating specific chemical properties of molecular graphs. In this paper, we study the entropy of various PG tessellations using degree-based topological indices as weights. The obtained topological indices and entropies provide information on the structure’s underlying topological connectivities and molecular characteristics. It is observed that hexagonal porous graphene exhibits greater entropies than rectangular porous graphene. Applications of the developed techniques are used to predict the -electron energy of these structures.
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© The Author(s), under exclusive licence to Società Italiana di Fisica and Springer-Verlag GmbH Germany, part of Springer Nature 2023. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.
