Molecular engineering of cyclopentadithiophene-containing organic dyes for dye-sensitized solar cell: Experimental results vs theoretical calculation

Chun Guey Wu, Wei Tsung Shieh, Chin Sheng Yang, Chun Jui Tan, Chiao Hsin Chang, Su Chien Chen, Chia Yin Wu, Hui Hsu Gavin Tsai

Research output: Contribution to journalArticle

11 Citations (Scopus)


Four donor-conjugated spacer-acceptor (D-π-A) organic dyes containing cyclopentadithiophene unit as a part of the conjugated spacer are prepared and studied to investigate the effects of the conjugated spacer and donor on the short-circuit current and conversion efficiency of the corresponding DSSCs. Theoretical calculations reveal that a shorter conjugated spacer or a stronger donor leads to more effective electron injection upon photo excitation. Therefore, D-π-A typed dye with longer conjugated spacer may have higher absorption coefficient and longer λ max . Nevertheless, it may also have lower effective electron injection upon photo excitation. Calculation data also show that cyclopentadithiophene although is a good moiety for extending the conjugation length of the organic dyes, it also acts as an electron sink, decreasing the effective electron injection. The transition probability calculated with the electron density difference analyses combining with the experimental absorption and photovoltaic performance data provides a useful protocol for designing organic photosensitizers for DSSCs at the electronic and structural levels.

Original languageEnglish
Pages (from-to)1091-1100
Number of pages10
JournalDyes and Pigments
Issue number3
Publication statusPublished - Sep 19 2013
Externally publishedYes



  • Conjugated spacer
  • Cyclopentadithiophene
  • Donor
  • DSSC
  • Electron injection
  • Organic sensitizer

ASJC Scopus subject areas

  • Chemical Engineering(all)
  • Process Chemistry and Technology

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