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Based on first-principles calculations, electronic properties ofedge-functionalized zigzag graphene nanoribbons (ZGNRs) on SiO2 substrate arepresented. Metallic or semiconducting properties of ZGNRs are revealed due tovarious interactions between edge-hydrogenated ZGNRs and different SiO2 (0001)surfaces. Bivalent functional groups decorating ZGNRs serve as the bridgebetween active edges of ZGNRs and SiO2. These functional groups stabilize ZGNRson substrate, as well as modify the edge states of ZGNRs and further affecttheir electronic properties. Band gaps are opened owing to edge statesdestruction and distorted lattice in ZGNRs.

Electronic properties of edge-functionalized zigzag graphene nanoribbons on SiO2 substrate-v2