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• W2945348197 startingPage "569" @default.
• W2945348197 abstract "Dye Sensitized Solar Cells (DSSCs) show the most promising future of photovoltaic cells due to their environmental protection, simple synthesis and low cost. The dye sensitized is the key factor for the development of this photovoltaic cells. In this work, a theoretical study on six organic π-conjugated molecules based on thienylen-phenylene, with electron acceptor group 2–cyanoacrylic for all dyes, using together quantum methods, density functional theory (DFT) and its extensible time dependent-density functional theory (TD-DFT) is reported. A different unit based on a series of X moieties (e.g. [1,2,5] Thiadiazolo [3,4-c]pyridine) were introduced as a bridge. However, the electronic structure; The HOMO, LUMO and the key parameters in close connection with the short-circuit current density (JSC), including light-harvesting efficiency (LHE), injection driving force (ΔGinject) were discussed. In addition, the estimated values of open-circuit photovoltage (VOC) for these dyes were presented. The calculated results of these dyes reveal that these dyes can be used as a potential sensitizer for TiO2 nanocrystalline solar cells due to their best electronic and optical properties." @default.
• W2945348197 created "2019-05-29" @default.
• W2945348197 creator A5021993228 @default.
• W2945348197 creator A5066475642 @default.
• W2945348197 date "2019-01-01" @default.
• W2945348197 modified "2023-10-14" @default.
• W2945348197 title "New dyes for DSSC containing thienylen-phenylene: a theoretical investigation" @default.
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• W2945348197 doi "https://doi.org/10.1016/j.matpr.2019.04.015" @default.
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