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|Title:||Band-gap engineering with hybrid graphane - Graphene nanoribbons||Authors:||Lu, Y.H.
|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. https://doi.org/10.1021/jp9067284||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||URI:||http://scholarbank.nus.edu.sg/handle/10635/95856||ISSN:||19327447||DOI:||10.1021/jp9067284|
|Appears in Collections:||Staff Publications|
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