“…The quantized energy spectra and wave functions are computed under the exact diagonalization method. Similar generalized tight-binding model has been widely adopted to make systematic studies on multi-dimensional carbon-based materials and hybrid systems, ranging from three-dimensional (3D) graphites 36,37 , 2D graphenes 36,[38][39][40][41] , 1D graphene nanoribbons (GNRs) [42][43][44][45][46] , carbon nanotubes (CNTs) 47,48 , graphene nanoflake 49 and graphene-related hybrids 50 . It is also suitable for studying the mainstream layered materials, such as group-IV 51 , group-V 52,53 , and TMD 54,55 2D materials.…”