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- W4313260046 endingPage "152" @default.
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- W4313260046 abstract "Low-dimensional graphene-based nanomaterials are interesting due to their cutting-edge electronic and magnetic properties. Their large surface area, strong mechanical resistance, and electronic properties have enabled potential pharmaceutical and opto-electronic applications. Graphene nanoribbons (GNRs) are graphene strips of nanometer size possessing zigzag and armchair edge geometries with tunable widths. Despite the recent developments in the characterization, design and synthesis of GNRs, the study of electronic, magnetic and topological properties, GNRs continue to pose a challenge owing to their multidimensionality. In this study, we obtain the topological and electronic properties of a series of wave-like nanoribbons comprising nanographene units with zigzag-shaped edges. The edge partition techniques based on the convex components are employed to compute the mathematical formulae of molecular descriptors for the wave-like zigzag GNRs. We have also obtained the spectral and energetic properties including HOMO-LUMO gaps, bond delocalization energies, resonance energies, 13C NMR and ESR patterns for the GNRs. All of these computations reveal zero to very low HOMO-LUMO gaps that make these nanoribbons potential candidates for topological spintronics." @default.
- W4313260046 created "2023-01-06" @default.
- W4313260046 creator A5012246397 @default.
- W4313260046 creator A5046095842 @default.
- W4313260046 creator A5046427933 @default.
- W4313260046 creator A5062949053 @default.
- W4313260046 creator A5079662324 @default.
- W4313260046 date "2022-12-24" @default.
- W4313260046 modified "2023-10-18" @default.
- W4313260046 title "Topological and Spectral Properties of Wavy Zigzag Nanoribbons" @default.
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- W4313260046 doi "https://doi.org/10.3390/molecules28010152" @default.
- W4313260046 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/36615349" @default.
- W4313260046 hasPublicationYear "2022" @default.
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