Refined degree bond partitions, topological indices, graph entropies and machine-generated boron NMR spectral patterns of borophene nanoribbons

Abstract

The advent of borophene sheets and their nanoribbons has inspired significant experimental and theoretical research on the 2D-sheets and nanoribbons of boron, wonder materials of the future with the potential to replace graphene. As a result of the electron deficient nature of boron compounds, borophenes exhibit multiple phases with contrasting network structures. The present study employs novel graph theoretical techniques based on neighborhood degree-sum parameters that provide refined bond partitions to characterize the different phases of borophene nanoribbons. We have applied these techniques to the β12 and χ3 phases of borophene nanoribbons. We have also employed computer-assisted combinatorial techniques to generate the boron NMR spectra of different phases of the borophene nanoribbons.