Distance-based topological indices of chevron-like graphene nanoribbons with applications to electronic parameters

The potential applications of graphene nanoribbons (GNRs) in electrical and optical devices have garnered significant interest among researchers. Recent studies have concentrated on the synthesis of GNRs through bottom-up approaches, which enable the production of extremely narrow GNRs with atomically precise edges. Chevron-like graphene nanoribbons (cGNRs) are a distinct class of nanomaterials, notable for their unique properties derived from their wavy morphology. The electrical conductivity of cGNRs suggests their potential utility in devices such as organic solar cells and transistors. Researchers continue to investigate the properties of cGNRs for these applications. This study focused on analyzing various distance-based topological descriptors and mathematical representations of the molecular structures of cGNRs. These distance-based descriptors highlight the spatial relationships between atoms. The graph-theoretical measures obtained in this study provide valuable insights into the structural and potential electronic properties of cGNRs. Additionally, we calculated the electronic, energetic, and spectral properties of the cGNRs, including the \(^{13}\) C NMR patterns, HOMO-LUMO gaps, and \(\pi\) -electron energies.