ArticleRSC advances2025
Computational insights into phthalimide-core non-fullerene acceptors for next-generation organic solar cells.
Article in RSC advances, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
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Who cites it
3 citing papers in PubMed.
- Decoding non-fullerene acceptors for organic solar cells: a theoretical structure-property-performance perspective.RSC advances · 2026Review
- Article
- 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
Corrections and comments
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Authors and funding
10 authors.
Funding
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Abstract
Traditional fullerene-based acceptors in organic solar cells (OSCs) suffer from limitations such as poor tunability, narrow absorption spectra, and limited morphological stability, restricting further improvements in device efficiency. To address these challenges, non-fullerene acceptors (NFAs) with tunable energy levels and broad optical absorption have gained increasing attention. In this study, seven novel phthalimide core-based donor-acceptor molecules (BPDM1-BPDM7) are computationally designed by modifying the terminal units of a reference molecule (BPDF). Using density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations at the B3LYP/6-31G(d,p) level, photovoltaic parameters such as bandgap, frontier orbital energies, absorption maxima, light harvesting efficiency (LHE), reorganization energies (
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Registered trials
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