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• W2517381077 abstract "Co-sensitization has been considered as a helpful strategy for improving the conversion efficiency in dye-sensitized solar cells (DSSCs). In this present, Zinc porphyrin dyes 1–4 have been designed based on SM315 which has achieved the record efficiency (13%). Simultaneously, these new dyes are anticipated to replace the previous dye XW11 which is analogous to SM315 in co-sensitization system. Density functional theory (DFT) and time-dependent DFT (TDDFT) calculations have been carried out on the electronic structure and optical properties. Our results show that dye 4 can be the candidate due to its complementary absorption spectrum with co-sensitizer WS-5, sound lifetime of excited state, stronger electronic coupling with TiO2, larger electron injection rate constant, and smaller electron-hole recombination rate constant, as well as most positive-shift of the CB of TiO2. We hope this work is helpful for design Zn-porphyrin dye with target properties to improve the performance of DSSCs." @default.
• W2517381077 created "2016-09-16" @default.
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• W2517381077 date "2017-01-01" @default.
• W2517381077 modified "2023-10-18" @default.
• W2517381077 title "Rational design of near-infrared Zn-porphyrin dye utilized in co-sensitized solar cell toward high efficiency" @default.
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• W2517381077 doi "https://doi.org/10.1016/j.dyepig.2016.09.002" @default.
• W2517381077 hasPublicationYear "2017" @default.
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