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

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arxiv 1102.5592 v1 pith:DM5477UJ submitted 2011-02-28 cond-mat.mtrl-sci

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

D. M. Zhang , Z. Li , J. F. Zhong , L. Miao , J. J. Jiang This is my paper
classification cond-mat.mtrl-sci
keywords zgnrspropertiessio2electronicedgeedge-functionalizedfunctionalgraphene
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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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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