Molecules 2012, 17(4), 4484-4497; doi:10.3390/molecules17044484

Natural Chlorophyll-Related Porphyrins and Chlorins for Dye-Sensitized Solar Cells

1,* email and 2
Received: 13 March 2012; in revised form: 5 April 2012 / Accepted: 6 April 2012 / Published: 13 April 2012
(This article belongs to the Special Issue Tetrapyrroles, Porphyrins and Phthalocyanine)
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
Abstract: Natural-chlorophyll-related porphyrins, including (2H, Zn, Cu)-protoporphyrin IX (Por-1) and Zn-mesoporphyrin IX (Por-2), and chlorins, including chlorin e6 (Chl-1), chlorin e4 (Chl-2), and rhodin G7 (Chl-3), have been used in dye-sensitized solar cells (DSSCs). For porphyrin sensitizers that have vinyl groups at the β-positions, zinc coordinated Por-1 gives the highest solar-energy-to-electricity conversion efficiency (h) of up to 2.9%. Replacing the vinyl groups of ZnPor-1 with ethyl groups increases the open-circuit voltage (Voc) from 0.61 V to 0.66 V, but decreases the short-circuit current (Jsc) from 7.0 mA·cm−2 to 6.1 mA·cm−2 and the value of h to 2.8%. Density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations suggest that the higher Jsc values of Zn-based porphyrin sensitizers result from the favorable electron injection from the LUMO at higher energy levels. In the case of the chlorin sensitizers, the number of carboxyl protons has a large effect on the photovoltaic performance. Chl-2 with two carboxyl protons gives much higher values of Jsc, Voc, and h than does Chl-1 with three carboxyl protons. Replacing the protons of Chl-1 with sodium ions can substantially improve the photovoltaic performance of Chl-1-based solar cells. Furthermore, the sodium salt of Chl-3 with an aldehyde group at the C7 position shows poorer photovoltaic performance than does the sodium salt of Chl-1 with methyl groups at the C7 position. This is due to the low light-harvesting capability of Chl-3.
Keywords: porphyrin; chlorin; dye-sensitized solar cell; photosynthesis; organic photovoltaics
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MDPI and ACS Style

Wang, X.-F.; Kitao, O. Natural Chlorophyll-Related Porphyrins and Chlorins for Dye-Sensitized Solar Cells. Molecules 2012, 17, 4484-4497.

AMA Style

Wang X-F, Kitao O. Natural Chlorophyll-Related Porphyrins and Chlorins for Dye-Sensitized Solar Cells. Molecules. 2012; 17(4):4484-4497.

Chicago/Turabian Style

Wang, Xiao-Feng; Kitao, Osamu. 2012. "Natural Chlorophyll-Related Porphyrins and Chlorins for Dye-Sensitized Solar Cells." Molecules 17, no. 4: 4484-4497.

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