ArticleJournal of fluorescence2024
Design a New D-π-A Formation Dyes as Dye-sensitized Solar Cells Applications/ a DFT and TD-DFT Study.
Article in Journal of fluorescence, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.
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Who cites it
6 citing papers in PubMed.
- Influence of auxiliary acceptor substitution at D-A1-π-A2 structured highly efficient organic molecules for dye-sensitized solar cells using computational study.Journal of molecular modeling · 2025Article
- Optimizing Electronic and Photovoltaic Properties of D-π-A Organic Dyes for DSSCs Using Density Functional Theory.Journal of fluorescence · 2025Article
- Molecular Design, DFT Study and Optoelectronics Properties of Several DSSCs Sensitizers Based on Different Donor Groups.Journal of fluorescence · 2025Article
- Molecular engineering with benzothiophene based bracing units to improve the photovoltaic properties of the naphthalene core based chromophores.Scientific reports · 2025Article
- Review on the DFT computation of bulk heterojunction and dye-sensitized organic solar cell properties.Journal of molecular modeling · 2025Review
- Theoretical, structural, and electronic analyses of pyridin-based dyes for dye-sensitized solar cells applications.Journal of molecular modeling · 2024Article
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Authors and funding
3 authors.
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Abstract
Dye-sensitized solar cells (DSSCs) have garnered significant interest among researchers in the field of photovoltaics due to their promising performance, low cost and easy process of fabrication. In this study, we have designed new D-π-A systems as derivatives of the reference (Ref. A) D-A-D scaffold, incorporating different π-bridges to enhance and optimize their efficiency as sensitizing dyes for DSSCs applications. Density functional theory (DFT) and time-dependent DFT (TD-DFT) methods were employed to investigate the geometrical and electronic structures, chemical reactivity indices, optical properties, exciton binding energy, and electrochemical properties of these dyes. We also examined the preferred adsorption process of the two selected dyes on a (TiO
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