Structural planarity and conjugation effects of novel symmetrical acceptor-donor-acceptor organic sensitizers on dye-sensitized solar cells

Hsuan Chih Chu, Duryodhan Sahu, Ying Chan Hsu, Harihara Padhy, Dhananjaya Patra, Jiann T.Suen Lin, Dibyendu Bhattacharya, Kuang Lieh Lu, Kung-Hwa Wei, Hong-Cheu Lin*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

51 Scopus citations

Abstract

In this study two series of novel symmetrical acceptor-donor-acceptor organic sensitizers containing 3,6- and 2,7-functionalized carbazole cores, respectively, connected to two anchoring cyanoacrylic acid termini via thienyl linkers were synthesized. The effect of the molecular planarity originating from the 3,6- and 2,7-functionalized carbazole cores on the performance of corresponding solar cells were investigated. Molecular orbital analyses revealed the characteristics of the carbazole-based highest occupied molecular orbitals and acid-based lowest unoccupied molecular orbitals. Time-dependent density functional theory calculations allowed us to assign the electronic transitions (>90%) of the low energy bands. Among these new dyes, the highest power conversion efficiency of 4.82% was obtained in a dye-sensitized solar cell device under standard AM 1.5 sunlight with an open-circuit voltage of 0.61 V, a short-circuit photocurrent density of 12.66 mA cm -2 and a fill factor of 0.62.

Original languageEnglish
Pages (from-to)1488-1497
Number of pages10
JournalDyes and Pigments
Volume93
Issue number1-3
DOIs
StatePublished - 1 Apr 2012

Keywords

  • Carbazole
  • Charge transfer
  • Density functional theory
  • Donor-acceptor
  • Sensitizer
  • Solar cell

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