Journal
JOURNAL OF PHYSICAL CHEMISTRY C
Volume 113, Issue 49, Pages 20841-20844Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp9067284
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Funding
- National Research Foundation (Singapore) [NRF-G-CRP 2007-05]
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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.
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