Tailoring the electronic properties of zigzag graphene nanoribbons via sp2/sp3 edge functionalization with H/F

Fig. (a) The considered unit cell of doped H2-ZGNR-H structure for Nz = 8 along with the corresponding band structure (b) and DOS profile (c). The solid (black) and dashed (red) line corresponds to spin up (spin down) electronic states. The dotted line at 0 eV represents Fermi level. The half-metallic properties can be induced in H2-ZGNR-H via N/B doping which pledges for potential applications in upcoming spintronic devices.278