期刊
DYES AND PIGMENTS
卷 118, 期 -, 页码 64-75出版社
ELSEVIER SCI LTD
DOI: 10.1016/j.dyepig.2015.03.002
关键词
Porphyrin; Carbazole; DSSC; TD-DFT; Density functional theory (DFT); Conversion efficiency
资金
- Chiang Mai University
- National Nanotechnology Center (NANOTEC)
A series of zinc-porphyrin based sensitizers, F1-F6, has been studied using theoretical calculations to investigate their performances in dye-sensitized solar cells (DSSCs). Three effects; (i) pi-Linker, (ii) anchoring group and (ii) capped carbazole at meso-substituted porphyrin core on the energy conversion efficiency of the DSSCs were evaluated. The results reveal that the increased conjugation length in pi-linker and use of cyanoacrylic acid as an anchoring group can enhance charge transfer ability from donor to acceptor group and further to TiO2 which leads to increasing of the current density of the devices. Capped carbazole unit does not significantly affect the electronic properties of the dyes but crucially helps in suppressing aggregation of the dyes on the TiO2 surface, then leads to higher conversion efficiency of the device. Therefore, we predict that F6 designed by taking advantages of all positive key parameters would be a promising sensitizer for higher efficient photovoltaic cell. (C) 2015 Elsevier Ltd. All rights reserved.
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