ArticleRSC advances2022
The role of the donor group and electron-accepting substitutions inserted in π-linkers in tuning the optoelectronic properties of D-π-A dye-sensitized solar cells: a DFT/TDDFT study.
Article in RSC advances, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.
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Who cites it
11 citing papers in PubMed.
- (TD)DFT investigation of donor influence on the electronic and photovoltaic properties of D-π-A-π-A quinoxaline dyes.Journal of molecular modeling · 2026Article
- A computational study on the role of furan-based π-spacers in enhancing the efficiency of a DSSC.Journal of molecular modeling · 2026Article
- Frontier Orbital Engineering in Heteroatom-Doped Prototypical Organic Dyes for Dye-Sensitized Solar Cells.The journal of physical chemistry. A · 2026Article
- DFT study of benzothiadiazole based small molecules for high efficiency organic photovoltaics.Scientific reports · 2026Article
- Delving into the Inception of BODIPY Dyes: Paradigms of In Vivo Bioimaging, Chemosensing, and Photodynamic/Photothermal Therapy.Pharmaceuticals (Basel, Switzerland) · 2026Review
- 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
- Progress and Prospects of Biomolecular Materials in Solar Photovoltaic Applications.Molecules (Basel, Switzerland) · 2025Review
- Recent Advances in the Application of Coumarins as Photosensitizers for the Construction of a Dye-Sensitized Solar Cell.ACS omega · 2025Review
- Theoretical, structural, and electronic analyses of pyridin-based dyes for dye-sensitized solar cells applications.Journal of molecular modeling · 2024Article
- Computational study of linear carbon chain based organic dyes for dye sensitized solar cells.RSC advances · 2023Article
- New organic dye-sensitized solar cells based on the D-A-π-A structure for efficient DSSCs: DFT/TD-DFT investigations.RSC advances · 2022Article
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Authors and funding
2 authors.
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Abstract
The design of low-cost and high-efficiency sensitizers is one of the most important factors in the expansion of dye-sensitized solar cells (DSSCs). To obtain effective sensitizer dyes for applications in dye-sensitized solar cells, a series of metal-free organic dyes with the D-π-A-A arrangement and with different donor and acceptor groups have been designed by using computational methodologies based on density functional theory (DFT) and time-dependent density functional theory (TD-DFT). We have designed JK-POZ(1-3) and JK-PTZ(1-3) D-π-A-A organic dyes by modifying the donor and π-linker units of the JK-201 reference dye. Computational calculations of the structural, photochemical properties and electrochemical properties, as well as the key parameters related to the short-circuit current density and open-circuit voltage, including light-harvesting efficiency (LHE), singlet excited state lifetime (
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