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

Abstract

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

10 pages, 5 figures

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Cited by in corpus (2)

• Giant Quasiparticle Bandgap Modulation in Graphene Nanoribbons Supported on Weakly Interacting Surfaces
• Density functional theory studies of interactions of graphene with its environment: substrate, gate dielectric and edge effects