ArticleRSC advances2024
Theoretical investigation of benzodithiophene-based donor molecules in organic solar cells: from structural optimization to performance metrics.
Article in RSC advances, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.
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Who cites it
2 citing papers in PubMed.
- Terminal acceptor engineering for reduced energy dissipation and enhanced charge transport in benzodithiophene-core based donor molecules: a computational route to efficient organic solar cells.Nanoscale advances · 2026Article
- Computational insights into phthalimide-core non-fullerene acceptors for next-generation organic solar cells.RSC advances · 2025Article
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Authors and funding
10 authors.
Funding
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Abstract
Achieving high power conversion efficiency (PCE) remains a significant challenge in the advancement of organic solar cells (OSCs). In the field of organic photovoltaics (OPVs), considerable progress has been made in optimizing molecular structures to improve the PCE. However, innovative material design strategies specifically aimed at enhancing PCE are still needed. Here, we have designed BDTS-2DPP-based molecules and propose a molecular design approach to develop donor materials that can significantly improve the PCE of OSCs. Density functional theory (DFT) and time-dependent DFT (TD-DFT) methods have been adopted in both gas and solvent phases. Our newly designed molecule M1 shows the highest absorption value (
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Registered trials
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