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

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

2011-01-13

arxiv.org/abs/1101.2556v1

Physics

Condensed Matter

Materials Science

10 pages, 5 figures

Scientific paper

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.

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