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Title: Band-gap engineering with hybrid graphane - Graphene nanoribbons
Authors: Lu, Y.H. 
Feng, Y.P. 
Issue Date: 2009
Citation: Lu, Y.H., Feng, Y.P. (2009). Band-gap engineering with hybrid graphane - Graphene nanoribbons. Journal of Physical Chemistry C 113 (49) : 20841-20844. ScholarBank@NUS Repository.
Abstract: The electronic structures of graphane nanoribbons and hybrid graphane - graphene nanoribbons were investigated using the first-principles method. Energy gaps of both zigzag and armchair graphane nanoribbons were found to increase as the nanoribbons become narrower. The hybrid graphane - graphene nanoribbons show structure dependence and tunable electronic properties. The band gap of armchair hybrid nanoribbons is dominated by its graphene section, whereas a spin-split defect level emerges in the band gap of zigzag hybrid nanoribbons, which depends on the hydrogenation of the graphane - graphene interface zigzag carbon chain. These findings provide a basis for achieving band gap engineering and controllable spin filters based only on light elements. © 2009 American Chemical Society.
Source Title: Journal of Physical Chemistry C
ISSN: 19327447
DOI: 10.1021/jp9067284
Appears in Collections:Staff Publications

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