Theoretical study of molecular rectification in porphyrin dimer

Yoshishige Okuno, Shiyoshi Yokoyama

Research output: Contribution to journalArticle

8 Citations (Scopus)

Abstract

Carrying out theoretical calculations using the density functional method for nonequilibrium electron transport, we investigated the electric conductibility of a porphyrin dimer coupled to gold electrodes by thiolate bonds. A porphyrin with four electron-donating amino groups in the dimer is connected to a porphyrin with four electron-withdrawing cyano groups by a dimethylene bridge. The calculations demonstrated that this dimer allows more flow of electrons from the first porphyrin (donor) to the second porphyrin (acceptor) than in the opposite direction. This means that the porphyrin dimer has favorable rectifier characteristics that are accounted for by the mechanism of not Aviram and Ratner [Chem. Phys. Lett. 29 (1974) 277] but of Stokbro, et al. [J. Am. Chem. Soc. 125 (2003) 3674].

Original languageEnglish
Pages (from-to)2630-2634
Number of pages5
JournalThin Solid Films
Volume516
Issue number9
DOIs
Publication statusPublished - Mar 3 2008
Externally publishedYes

Fingerprint

Porphyrins
rectification
porphyrins
Dimers
dimers
Electrons
electrons
rectifiers
Gold
gold
Electrodes
electrodes

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Surfaces and Interfaces
  • Surfaces, Coatings and Films
  • Metals and Alloys
  • Materials Chemistry

Cite this

Theoretical study of molecular rectification in porphyrin dimer. / Okuno, Yoshishige; Yokoyama, Shiyoshi.

In: Thin Solid Films, Vol. 516, No. 9, 03.03.2008, p. 2630-2634.

Research output: Contribution to journalArticle

Okuno, Yoshishige ; Yokoyama, Shiyoshi. / Theoretical study of molecular rectification in porphyrin dimer. In: Thin Solid Films. 2008 ; Vol. 516, No. 9. pp. 2630-2634.
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