Strain modulated band gap of edge passivated armchair graphene nanoribbons

Xihong Peng, Selina Velasquez

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69 Scopus citations


First principles calculations were performed to study strain effects on band gap of armchair graphene nanoribbons (AGNRs) with different edge passivation, including H, O, and OH group. The band gap of the H-passivated AGNRs shows a nearly periodic zigzag variation under strain. For O and OH passivation, the zigzag patterns are significantly shifted by a modified quantum confinement due to the edges. In addition, the band gap of the O-passivated AGNRs experiences a direct-to-indirect transition with sufficient tensile strain (∼5%). The indirect gap reduces to zero with further increased strain.

Original languageEnglish (US)
Article number023112
JournalApplied Physics Letters
Issue number2
StatePublished - Jan 10 2011

ASJC Scopus subject areas

  • Physics and Astronomy (miscellaneous)


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