2020
DOI: 10.1007/s11696-020-01285-0
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Influence of the donor and conjugation at D–π–A organic sensitizers for dye-sensitized solar cells: a first principle study

Abstract: In this study, we designed perylene-based organic dye for D-π-A architecture. First, screening the well electron-rich and electron-deficient donor and π-spacer group for efficient dye sensitizer for DSSCs have been simulated using DFT and TD-DFT methods. The theoretical results have shown that the LUMO and HOMO energy levels of the design dyes can ensure a positive effect on the process of electron injection and dye regeneration. The main factors of short-circuit current density influence the light harvesting … Show more

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