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Título

Quantum Transport in Graphene Nanoribbons: Effects of Edge Reconstruction and Chemical Reactivity

AutorBiel, Blanca; Charlier, Jean-Christopher; Roche, Stephan
Palabras claveGraphene nanoribbons
Quantum transport
Edge reactivity
Density-of-state
Fecha de publicación2010
EditorAmerican Chemical Society
CitaciónACS Nano 4(4): 1971-1976 (2010)
ResumenWe present first-principles transport calculations of graphene nanoribbons with chemically reconstructed edge profiles. Depending on the geometry of the defect and the degree of hydrogenation, spectacularly different transport mechanisms are obtained. In the case of monohydrogenated pentagon (heptagon) defects, an effective acceptor (donor) character results in strong electron−hole conductance asymmetry. In contrast, weak backscattering is obtained for defects that preserve the benzenoid structure of graphene. Based on a tight-binding model derived from ab initio calculations, evidence for large conductance scaling fluctuations are found in disordered ribbons with lengths up to the micrometer scale.
Descripción6 páginas.-- et al.
Versión del editorhttp://dx.doi.org/10.1021/nn100028q
URIhttp://hdl.handle.net/10261/48889
DOI10.1021/nn100028q
ISSN1936-0851
E-ISSN1936-086X
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