Electronic structure and Peierls instability in graphene nanoribbons sculpted in graphane (Articolo in rivista)

Type
Label
  • Electronic structure and Peierls instability in graphene nanoribbons sculpted in graphane (Articolo in rivista) (literal)
Anno
  • 2010-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1103/PhysRevB.81.113404 (literal)
Alternative label
  • Tozzini V. ;V. Pellegrini (2010)
    Electronic structure and Peierls instability in graphene nanoribbons sculpted in graphane
    in Physical review. B, Condensed matter and materials physics
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Tozzini V. ;V. Pellegrini (literal)
Rivista
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • 1. Scuola Normale Super Pisa, CNR, Ist Nanosci, NEST, I-56127 Pisa, Italy (literal)
Titolo
  • Electronic structure and Peierls instability in graphene nanoribbons sculpted in graphane (literal)
Abstract
  • Graphene nanoribbons are semiconductor nanostructures with great potentials in nanoelectronics. Their realization particularly with small lateral dimensions below a few nanometers, however, remains challenging. Here we theoretically analyze zigzag graphene nanoribbons created in a graphane substrate (a fully saturated two-dimensional hydrocarbon with formula CH) and predict that they are stable down to the limit of a single carbon chain. We exploit density functional theory with B3LYP functional that accurately treats exchange and correlation effects and demonstrate that at small widths below a few chains these zigzag nanoribbons are semiconducting due to the Peierls instability similar to the case of polyacetylene. Graphene nanoribbons in graphane might represent a viable strategy for the realization of ultranarrow semiconducting graphene nanoribbons with regular edges and controlled chemical termination and open the way for the exploration of the competition between Peierls distortion and spin effects in artificial one-dimensional carbon structures. (literal)
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