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- W2965076677 abstract "Based on the observations of thienothiophene derivatives as π-bridged small molecule hole transporting materials (HTMs), adjusting their electron-rich arylamine derivatives is an effective approach to obtain the alternative HTMs for perovskite solar cells (PSCs). In this work, starting from a new electron-rich arylamine derivative and different π-bridged units of thienothiophene derivatives, a series of arylamine derivative-based HTMs were designed, and their properties were investigated using density functional theory combined with the Marcus charge transfer theory. Compared with the parental Z26 material, the designed H01-H04 exhibit appropriate frontier molecular orbitals, good optical properties, better solubility, good stability and higher hole mobilities. H01-H04 materials with high hole mobility (∼× 10-2) can serve as promising HTMs for improving the efficiency of PSCs. The results confirm that the design strategy of adjusting the electron-rich arylamine derivatives in thienothiophene derivatives as π-bridged HTMs is a reliable approach to obtain the promising HTMs for PSC applications." @default.
- W2965076677 created "2019-08-13" @default.
- W2965076677 creator A5011085153 @default.
- W2965076677 creator A5016273426 @default.
- W2965076677 date "2019-01-01" @default.
- W2965076677 modified "2023-10-13" @default.
- W2965076677 title "Optimizing electron-rich arylamine derivatives in thiophene-fused derivatives as π bridge-based hole transporting materials for perovskite solar cells" @default.
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- W2965076677 doi "https://doi.org/10.1039/c9ra03408k" @default.
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