期刊
RSC ADVANCES
卷 11, 期 10, 页码 5556-5567出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/d0ra10613e
关键词
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资金
- University Grants Commission, New Delhi, India under the Center with Potential for Excellence in Particular Area (CPEPA) scheme [2-8/2016 (NS/PE)]
- University Grants Commision (UGC)
By investigating the relationship between the shape of sensitizer molecules and DSSC efficiency, this study found that linear and V-shaped sensitizers have better photon absorption abilities, with the V-shaped structure being most suitable for high performance DSSCs.
The sensitizer is an active component of dye sensitized solar cell (DSSC) technology, which is highly influential for the performance of DSSCs. The present study attempts to investigate the relationship between the shape of the sensitizer molecule and efficiency of DSSCs. Specifically, 17 different structures were investigated, and classified into four categories based on the shape of the dye molecule, namely L-shaped (linear), V-shaped, X-shaped and Y-shaped, and into two different categories based on the donor moiety. The five of studied structures contained a triphenylamine (TPA) donor moiety, and twelve structures contained carbazole (CAR) donor moiety. Parameters related to the performance of DSSCs such as absorption spectra, intramolecular charge transfer indices, frontier molecular orbitals, light harvesting efficiency, excited-state lifetime, exciton binding energy, electrostatic potential, charge transfer and electron injection ability were studied using results obtained from electronic structure calculations. The analysis of these various parameters showed that the linear-shaped and V-shaped sensitizers possess better photon absorption ability, and the V-shaped structure is best suited shape for applications in high performance DSSCs.
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