Theoretical study of chlorin-fullerene supramolecular complexes for photovoltaic devices

Hiroshi Mizuseki, Nobuaki Igarashi, Rodion V. Velosludov, Amir A. Farajian, Yoshiyuki Kawazone

Research output: Contribution to journalArticlepeer-review

19 Citations (Scopus)


The current general trend in the research and development of photovoltaic elements is toward the production of lower cost devices. An encouraging breakthrough in the development of highly efficient materials has been achieved by mixing electron-donor type polymers with suitable electron acceptors. Many fullerene-based supramolecules have been proposed as potential organic photovoltaic devices. We investigate the geometric and electronic structure of a chlorin-fullerene based supramolecular complex which has been proposed as a potential organic photovoltaic device, using first principles calculations. The results suggest that the LUMO state of this supramolecule is localized on the fullerene and that the HOMO state is localized on the chlorin moiety.

Original languageEnglish
Pages (from-to)2503-2505
Number of pages3
JournalJapanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers
Issue number4 B
Publication statusPublished - 2003 Apr


  • Chlorin-fullerene supramolecular complex
  • Guest-host system
  • Molecular device
  • Organic solar cell
  • Photocurrent generation
  • Simulation

ASJC Scopus subject areas

  • Engineering(all)
  • Physics and Astronomy(all)


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