Computation of the I/V characteristic of a molecular switch (Articolo in rivista)

Type
Label
  • Computation of the I/V characteristic of a molecular switch (Articolo in rivista) (literal)
Anno
  • 2007-01-01T00:00:00+01:00 (literal)
Alternative label
  • Cacelli I., Ferretti A., Girlanda M., Macucci M. (2007)
    Computation of the I/V characteristic of a molecular switch
    in J. Comput. Elect.
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Cacelli I., Ferretti A., Girlanda M., Macucci M. (literal)
Pagina inizio
  • 353 (literal)
Pagina fine
  • 356 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 6 (literal)
Rivista
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • Univ Pisa, Dipartimento Chim & Chim Ind, I-56126 Pisa, Italy CNR, Area Ric, Ist Proc Chimicofis, I-56010 Pisa, Italy Univ Pisa, Dipartimento Ingn Informaz, I-56122 Pisa, Italy (literal)
Titolo
  • Computation of the I/V characteristic of a molecular switch (literal)
Abstract
  • We report on the study of a molecular torsional switch made up of two distinct aromatic moieties bound by an acetynil group. The mechanism of operation is based on the action of a static electric field perpendicular to the ring– ring bond which modifies the torsional angle and, as a consequence, the inter-ring conjugation. The current is computed with a method based on the molecular Green’s function, in which the electrodes are taken into account in an effective way. The current/voltage profile at several dihedral angles shows that the current is maximum for the planar conformation and decreases by a factor <1000 for the orthogonal conformation, suggesting the potential applicability of the proposed switching function in devices at the molecular scale. (literal)
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