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Ruthenium Complex with Pyrene Antenna for DSSCs
- Authors
- Chang, Dong Min; Kim, Joo Young; Kim, Young Sik
- Issue Date
- 2012
- Publisher
- TAYLOR & FRANCIS LTD
- Keywords
- antenna; DFT; dye-sensitized solar cells (DSSCs); Ruthenium; TD-DFT
- Citation
- MOLECULAR CRYSTALS AND LIQUID CRYSTALS, v.567, no.1, pp.63 - 70
- Journal Title
- MOLECULAR CRYSTALS AND LIQUID CRYSTALS
- Volume
- 567
- Number
- 1
- Start Page
- 63
- End Page
- 70
- ISSN
- 1542-1406
- Abstract
- In this study, we have compared the well known N3 dye and Ru(II) complex substituted with antenna group, such as two pyrenes of both site to bipyridine. Molecular orbital analysis confirmed that the LUMO and LUMO+1 are essentially delocalized over the dcbpy and the antenna ligand, respectively. The TD-DFT calculations showed that the complex with pyrene antenna had more panchromatic absorption spectra in the region above 400 nm compared to N3 dye. Moreover, the absorption bands around between 400 and 550 nm were red-shifted and increase molar extinction coefficients due to the antenna unit.
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Collections - College of Engineering > Department of Science > 1. Journal Articles
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