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Critical Role of Non‐Fullerene Crystalline Domains in Stabilizing Charge Separation in Bulk Heterojunction Organic Solar Cells

Soyeong Jeong, Aniket Rana, Weidong Xu, Keren Ai, Rachel Catherine Kilbride, Yiwen Wang, Damin Lee, Pabitra Shakya Tuladhar, Hyojung Cha Orcid Logo, James Durrant

Advanced Energy Materials, Volume: 15, Issue: 33, Start page: 2501633

Swansea University Author: James Durrant

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DOI (Published version): 10.1002/aenm.202501633

Abstract

This study addresses the role of energetic offsets resulting from non‐fullerene acceptor crystallization/aggregation in stabilizing charge separation in organic bulk heterojunction (BHJ) solar cells. Devices are fabricated using PM6 as electron donor and either IDIC or Y6 as acceptor, with blend rat...

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Published in: Advanced Energy Materials
ISSN: 1614-6832 1614-6840
Published: Wiley 2025
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URI: https://cronfa.swan.ac.uk/Record/cronfa69779
Abstract: This study addresses the role of energetic offsets resulting from non‐fullerene acceptor crystallization/aggregation in stabilizing charge separation in organic bulk heterojunction (BHJ) solar cells. Devices are fabricated using PM6 as electron donor and either IDIC or Y6 as acceptor, with blend ratios from 5:1 to 1:1. Reducing acceptor content significantly lowers device performance, most notably for initially higher performing PM6:Y6 BHJ's (from 14.31% to 0.95%) compared to PM6:IDIC (from 11.28% to 3.40%). Optical, optoelectronic, and morphological characterizations reveal that lower acceptor content PM6:Y6 devices exhibit suppressed acceptor aggregation/crystallinity, correlated with increased recombination losses and lower efficiency. Charge separation in optimal (1:1) PM6:Y6 devices is found to be stabilized by a LUMO level energetic offset between intermixed and pure, more crystalline, Y6 domains, driven by strong electronic interactions between Y6 molecules. In contrast, PM6:IDIC devices show minimal changes in energetics and recombination kinetics, aligning with their smaller performance decline, and consistent with IDIC's weaker electronic interactions. As such strong electronic interactions between Y6 molecules are concluded to provide an energetic stabilization of electrons in more aggregated/crystalline Y6 domains, suppressing charge recombination, and analogous to that observed for the highest performing fullerene acceptor PCBM.
Keywords: bulk heterojunction, charge transfer, intermixed phases, non-fullerene acceptors, photovoltaic device, recombination dynamics, solar cells
College: Faculty of Science and Engineering
Funders: Heeger Center for Advanced Materials; Research Institute for Solar and Sustainable Energies; Global Research Laboratory Program. Grant Number: NRF-2017K1A1A2013153; National Research Foundation; Engineering and Physical Sciences Research Council. Grant Number: ATIP EP/T028513/1; Gwangju Institute of Science and Technology; Postdoctoral Fellowship Program. Grant Number: NRF-2021R1A6A3A03045866
Issue: 33
Start Page: 2501633