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What makes thickness-tolerant organic solar cells?

Relatively thick-film organic photovoltaics (OPVs) are desirable to spark commercialization through mass-printing methods. Thickness-resilient donor:acceptor blends are, however, scarce and not fully understood. The interplay between electronic, optical, and microstructural properties of the photoac...

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Main Authors: Rodríguez-Martínez, Xabier (Author) , Tormann, Constantin (Author) , Sanz-Lleó, Marta (Author) , Dörling, Bernhard (Author) , Gibert-Roca, Martí (Author) , Harillo-Baños, Albert (Author) , Torimtubun, Alfonsina Abat Amelenan (Author) , Pascual-San-José, Enrique (Author) , Jurado, José P. (Author) , López-Mir, Laura (Author) , Kemerink, Martijn (Author) , Campoy-Quiles, Mariano (Author)
Format: Article (Journal)
Language:English
Published: 2025
In: Advanced energy materials
Year: 2025, Pages: ?
ISSN:1614-6840
DOI:10.1002/aenm.202405735
Online Access:Verlag, lizenzpflichtig, Volltext: https://doi.org/10.1002/aenm.202405735
Verlag, lizenzpflichtig, Volltext: https://onlinelibrary.wiley.com/doi/abs/10.1002/aenm.202405735
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Author Notes:Xabier Rodríguez-Martínez, Constantin Tormann, Marta Sanz-Lleó, Bernhard Dörling, Martí Gibert-Roca, Albert Harillo-Baños, Alfonsina Abat Amelenan Torimtubun, Enrique Pascual-San-José, José P. Jurado, Laura López-Mir, Martijn Kemerink and Mariano Campoy-Quiles
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Summary:Relatively thick-film organic photovoltaics (OPVs) are desirable to spark commercialization through mass-printing methods. Thickness-resilient donor:acceptor blends are, however, scarce and not fully understood. The interplay between electronic, optical, and microstructural properties of the photoactive layer (PAL) generates a multi-parametric space where rationalization is far from trivial. In this work, high-throughput experimentation, simulations, and machine learning (ML) methods are leveraged to provide material and device insights toward thickness-resilient OPVs. From a database of 720 inverted devices and 20 different donor:acceptor blends, two main blend families are identified in terms of their resilience against increased PAL thickness (>200 nm). These are archetypically represented by PBDB-T:ITIC (thickness-sensitive) and PTQ10:Y6 (thickness-resilient). Kinetic Monte Carlo (kMC) simulations elucidate that the blend morphology alone, either in the form of an effective medium or energy cascade, can explain the experimental short-circuit current density and open-circuit voltage trends without tweaking the recombination parameters (cf. drift-diffusion, DD). High fill factors (FFs) in thick-film devices cannot, however, be reproduced by the kMC or DD simulations. ML models show that complementary absorbing donors and acceptors (shifted absorption onsets) mixed in balanced weight ratios provide a favorable hole back-transfer efficiency to increase the FF in thick-film devices.
Item Description:Gesehen am 06.11.2025
Physical Description:Online Resource
ISSN:1614-6840
DOI:10.1002/aenm.202405735

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