Abstract
This study has been performed to understand the effect of donor strength on photovoltaic performance of Dye-sensitized Solar Cells (DSSCs). For this purpose, Density Functional Theory (DFT) and time domain DFT calculations were carried out. The results reveal that triphenylamine based Dye 2 and carbazole based Dye 4 with di-substituted donor moieties showed red shifted absorption wavelengths, higher oscillator strength and improved electron injection leading to the larger short-circuit photocurrent density (JSC). It is expected that these dyes might show larger open-circuit photovoltage (VOC) as well. These results disclose that di-substitution of the donor moiety would be an efficient strategy to enhance JSC and VOC for better light to power conversion efficiency in DSSCs.
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