Altering low-bias transport in zigzag-edge graphene nanostrips with edge chemistry

被引:135
作者
Gunlycke, D. [1 ]
Li, J.
Mintmire, J. W.
White, C. T.
机构
[1] Naval Res Lab, Washington, DC 20375 USA
[2] Oklahoma State Univ, Stillwater, OK 74078 USA
关键词
D O I
10.1063/1.2783196
中图分类号
O59 [应用物理学];
学科分类号
摘要
Zigzag-edge graphene nanostrips could be terminated with a variety of atoms or functional groups. Presented local-density-functional calculations show that these different species have a significant impact on the electronic structure of these strips near the Fermi level. The terminations covered include hydrogen and oxygen atoms as well as hydroxyl and imine groups. Zigzag-edge nanostrips terminated with hydrogen atoms or hydroxyl groups exhibit spin polarization in equilibrium, while the nanostrips terminated with oxygen or imine groups are unpolarized, leading to much different low-bias transport properties.
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页数:3
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