Theoretical study on junctions in porphyrin oligomers for nanoscale devices

Hiroshi Mizuseki, Rodion V. Belosludov, Amir A. Farajian, Nobuaki Igarashi, Yoshiyuki Kawazoe

Research output: Contribution to journalArticlepeer-review

8 Citations (Scopus)


A unimolecular rectifier could be built by combining two molecular sub-units that contain acceptor or donor groups. Porphyrin possesses good electron-donating properties due to its large, easily ionized, π-conjugated system. In this study, we propose that a rectifier diode could be created by combining two metal porphyrin molecules containing different metal atoms. This function would realize an effect similar to a p-n junction in a solid-state device. A Zn porphyrin-Ni porphyrin junction in a non-conjugated porphyrin system displays a localization of frontier orbitals that is similar to a rectifier function.

Original languageEnglish
Pages (from-to)718-721
Number of pages4
JournalMaterials Science and Engineering C
Issue number5-8
Publication statusPublished - 2005 Dec


  • Molecular devices
  • Molecular electronics
  • Nano wire
  • Nanoelectronics
  • Nanostructure
  • Nanotechnology
  • Simulation
  • π-conjugated molecule

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering


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