Singlet fission for dye-sensitized solar cells: Can a suitable sensitizer be found?

Irina Paci, Justin C. Johnson, Xudong Chen, Geeta Rana, Duška Popović, Donald E. David, Arthur J. Nozik, Mark A. Ratner, Josef Michl

Research output: Contribution to journalArticlepeer-review

297 Citations (Scopus)


We discuss possible improvements in the efficiency of dye-sensitized photovoltaic cells using dyes capable of singlet fission into two triplets, thus producing two electron-hole pairs from a single photon. It is pointed out that, in addition to derivatives of large alternant hydrocarbons, those of biradicals are also likely candidates for a favorable ordering of excited-state energy levels, E(T2), E(S1) > 2E(T1). A large number of potentially favorable structures has been examined by the semiempirical Pariser-Parr-Pople method and some also by the time-dependent density functional theory method. Several likely candidates have been identified for experimental examination.

Original languageEnglish
Pages (from-to)16546-16553
Number of pages8
JournalJournal of the American Chemical Society
Issue number51
Publication statusPublished - Dec 27 2006

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)
  • Biochemistry
  • Colloid and Surface Chemistry

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