Topological properties, entropies, stabilities and spectra of armchair versus zigzag coronene-like nanoribbons
Shagufa Mushtaq, Micheal Arockiaraj, J. Celin Fiona, Joseph Jency, K. Balasubramanian
Abstract
A coronene-like graphitic nanoribbon was recently synthesised as a potential candidate for applications in nanoelectornics due to its unique structural characteristics in contrast with other nanomaterials. It is a planar, thin, finite, and quasi-one-dimensional carbon-based material with novel characteristics. The coronene-like graphitic nanoribbon is constructed using multiple units of a finite dimensional coronene structure linked together in a chain of armchair and zigzag isomers. In this article, we compute the topological properties based on distance and degrees of armchair and zigzag nanoribbon isomers by adopting the orthogonal partition techniques. Our results on entropy measures demonstrate that armchair and zigzag nanoribbon isomers exhibit isentropic structures. We have computed the vertex partitions, 13C NMR and ESR spectra using distance degree sequence vectors and spectra of armchair and zigzag isomers. Furthermore graph spectral properties of the two isomers are computed which reveal that the zigzag nanoribbons are kinetically more stable than the corresponding armchair isomers.