Novel Ru (II) complex with TPA derivatives as a donor for dye-sensitized solar cells
- Authors
- Kwon, Dong Yuel; Chang, Dong Min; Kim, Young Sik
- Issue Date
- Jan-2015
- Publisher
- KOREAN PHYSICAL SOC
- Keywords
- Dye-sensitized solar cells (DSSCs); Ruthenium; Antenna; TDDFT; DFT
- Citation
- JOURNAL OF THE KOREAN PHYSICAL SOCIETY, v.66, no.1, pp.113 - 116
- Journal Title
- JOURNAL OF THE KOREAN PHYSICAL SOCIETY
- Volume
- 66
- Number
- 1
- Start Page
- 113
- End Page
- 116
- URI
- https://scholarworks.bwise.kr/hongik/handle/2020.sw.hongik/13700
- DOI
- 10.3938/jkps.66.113
- ISSN
- 0374-4884
- Abstract
- Novel heteroleptic ruthenium(II) complex [Ru(CF3-ppyd-TPA)(tctpy)](+) (ppyd = 2-phenyl-6-(pyridin-2-yl)pyridine, TPA = triphenylamine, and tctpy = 4,4',4aEuro(3)-tricarboxy-2,2':6',2aEuro(3)-terpyridine) was designed and investigated to increase its molar absorptivity compared to [Ru(ppd)(tctpy)](+) (ppd = 2-(3-(pyridin-2-yl)phenyl)pyridine). Density functional theory (DFT) and time-dependent density functional theory (TD-DFT) calculations were performed to gain insight into the factors responsible for the photovoltaic properties of a dye sensitizer. [Ru(CF3-ppyd-TPA)(tctpy)](+) showed a broad absorption spectrum and enhanced the molar extinction coefficient. Significant improvements to light absorption were exhibited by enhancing the metal-to-ligand charge transfer (MLCT) characteristics through the addition of the electron-withdrawing group-CF3 para to the organometallic bond and by increasing the transition dipole moment through the addition of TPA as an electron-donating group compared to the [Ru(ppd)(tctpy)](+). This study suggests that a ruthenium-based dye sensitizer would show improved photovoltaic performance in conversion efficiency for DSSCs by adding electron-donating and electron-withdrawing groups.
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