ArticlePolymers2017
Non-Fullerene Acceptor-Based Solar Cells: From Structural Design to Interface Charge Separation and Charge Transport.
Article in Polymers, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.
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Who cites it
9 citing papers in PubMed.
- Multi-edge NEXAFS study of non-fullerene acceptors: electronic structure and molecular orientation supported by simulations of NEXAFS angular dependence.RSC advances · 2026Article
- Recent Progress in Semitransparent Organic Solar Cells: Photoabsorbent Materials and Design Strategies.Micromachines · 2024Review
- Anomalous (Exergonic) Behavior in the Transfer of Electrons between Donors and Acceptors: Mobility, Energy, Caloric Capacity, and Entropy.ACS omega · 2022Article
- Theoretical studies on donor-acceptor based macrocycles for organic solar cell applications.Scientific reports · 2022Article
- Article
- A Comparison of Charge Carrier Dynamics in Organic and Perovskite Solar Cells.Advanced materials (Deerfield Beach, Fla.) · 2022Article
- Designing indaceno thiophene-based three new molecules containing non-fullerene acceptors as strong electron withdrawing groups with DFT approaches.Journal of molecular modeling · 2019Article
- Modification of NFA-Conjugated Bridges with Symmetric Structures for High-Efficiency Non-Fullerene PSCs.Polymers · 2019Article
- Trifluoromethyl-Substituted Large Band-Gap Polytriphenylamines for Polymer Solar Cells with High Open-Circuit Voltages.Polymers · 2018Article
Corrections and comments
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Authors and funding
6 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The development of non-fullerene small molecule as electron acceptors is critical for overcoming the shortcomings of fullerene and its derivatives (such as limited absorption of light, poor morphological stability and high cost). We investigated the electronic and optical properties of the two selected promising non-fullerene acceptors (NFAs), IDIC and IDTBR, and five conjugated donor polymers using quantum-chemical method (QM). Based on the optimized structures of the studied NFAs and the polymers, the ten donor/acceptor (D/A) interfaces were constructed and investigated using QM and Marcus semi-classical model. Firstly, for the two NFAs, IDTBR displays better electron transport capability, better optical absorption ability, and much greater electron mobility than IDIC. Secondly, the configurations of D/A yield the more bathochromic-shifted and broader sunlight absorption spectra than the single moiety. Surprisingly, although IDTBR has better optical properties than IDIC, the IDIC-based interfaces possess better electron injection abilities, optical absorption properties, smaller exciton binding energies and more effective electronic separation than the IDTBR-based interfaces. Finally, all the polymer/IDIC interfaces exhibit large charge separation rate (
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