Hybrid assemblies of octagonal C and BN monolayers and their electronic properties

Abstract

Two-dimensional materials and their assemblies have attracted considerable attention due to their versatile properties for various applications. Among them, recently proposed octagonal monolayers (o-MLs) of C and BN are investigated for thermal, dynamical, and energetic stability. These robust o-MLs are then probed for patterned hybrid assemblies due to inherent low lattice mismatch and metallic and wide bandgap insulator combination to study their electronic structure for applications. Carbon substitution in boron nitride in the form of eight membered rings is found to be stable, and the variation of the substituted rings in the patterned hybrid o-MLs changes the structure from an insulating phase to a metallic phase. Such predicted structures may provide impetus for their practical realization.