期刊
NANO LETTERS
卷 10, 期 9, 页码 3638-3642出版社
AMER CHEMICAL SOC
DOI: 10.1021/nl102034c
关键词
Graphene nanoribbon; band gap; twist; density functional theory; Huckel; tight binding
类别
资金
- ONR through NRL
- DOE [DE-FG02-07ER46362]
Chemistry at the edges of saturated graphene nanoribbons can cause ribbons to leave the plane and form three-dimensional helical structures. Calculations, based on density functional theory and enabled by adopting helical symmetry, show that F-terminated armchair ribbons are intrinsically twisted in helices, unlike flat H-terminated strips. Twisting ribbons of either termination couple the conduction and valence bands, resulting in band gap modulation. This electromechanical response could be exploited in switches and sensor applications.
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