| Literature DB >> 20718402 |
Daniel Gunlycke1, Junwen Li, John W Mintmire, Carter T White.
Abstract
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.Entities:
Year: 2010 PMID: 20718402 DOI: 10.1021/nl102034c
Source DB: PubMed Journal: Nano Lett ISSN: 1530-6984 Impact factor: 11.189