Key Takeaways & Executive Findings
- •• • Dimerization of MC16 into DMC16 induces a face-on orientation, reversing charge-transport anisotropy from lateral to vertical, which is critical for efficient vertical charge extraction in OSCs. • • DMC16-based OSCs achieve a PCE of 19.04% in ternary blends with PM6:M36, ranking among the highest for ADA-type small-molecule acceptors, and retain 94% of initial efficiency after 1800 h at 85 °C and 74% after an additional 1000 h at 120 °C, demonstrating exceptional thermal stability. • • The dimerization strategy suppresses over-aggregation and molecular diffusion, addressing morphological stability issues that typically plague small-molecule acceptors, thereby enhancing long-term operational stability. • • Scalability is demonstrated with a minimodule efficiency exceeding 15% over an active area of 10.15 cm2, indicating commercial viability for large-area organic photovoltaics.
Abstract
Precise control of molecular orientation in nonfullerene acceptors is crucial yet challenging for achieving both high efficiency and long-term stability in organic solar cells (OSCs). Here, we report a molecular dimerization strategy to regulate orientation and charge-transport anisotropy in ambipolar M-series acceptors. Using the edge-on-oriented small-molecule acceptor MC16 as a model, dimerization into DMC16 effectively suppresses over-aggregation and molecular diffusion while inducing a predominant face-on packing orientation. This orientation transition reverses the transport anisotropy from lateral to vertical directions, enabling balanced ambipolar charge transport and efficient carrier extraction. Consequently, DMC16-based OSCs exhibit a markedly enhanced power conversion efficiency together with outstanding thermal stability, retaining 94% of the initial efficiency after 1800 h at 85 °C and 74% after an additional 1000 h at 120 °C. When introduced as a third component in PM6:M36 ternary blends, DMC16 further optimizes blend morphology and stability, delivering an efficiency of 19.04% and over 15% in 10.15 cm2 modules. These results demonstrate that dimerization-induced molecular orientation control provides an effective pathway to simultaneously enhance efficiency, stability, and scalability in OSCs.
1. Introduction
Organic solar cells (OSCs) have emerged as a promising photovoltaic technology due to their lightweight, flexibility, and low-cost solution processing. However, the transition from fullerene to nonfullerene acceptors (NFAs) has introduced a critical bottleneck: the rigid, anisotropic nature of NFA backbones often leads to unfavorable molecular orientations, such as edge-on packing, which severely limits vertical charge transport and overall device efficiency. While face-on orientation is preferred for efficient charge extraction, precise control remains elusive due to insufficient understanding of the underlying mechanisms. Conventional approaches like substrate modification and side-chain engineering have yielded inconsistent results, failing to establish reliable design rules.
This study addresses this bottleneck by introducing a molecular dimerization strategy for M-series acceptors. By dimerizing the edge-on-oriented MC16 into DMC16, the authors achieve a controlled transition to face-on packing, effectively suppressing over-aggregation and molecular diffusion. This not only reverses charge-transport anisotropy but also enhances thermal stability, as evidenced by retention of 94% efficiency after 1800 h at 85 °C. The approach demonstrates a clear pathway to simultaneously optimize efficiency, stability, and scalability, offering a robust solution to the orientation-control challenge that has hindered NFA-based OSC commercialization.
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Hongju Zhu, Dongdong Cai, Li Liu, Zhihao Chang, Kuan Ma, Wenfei Yang, Yujun Li, Yunlong Ma, Qingdong Zheng (2026). Dimerization-Induced Orientation Control in Ambipolar M-Series Acceptors Enables Efficient and Stable Organic Solar Cells. SCIENCE CHINA Materials. https://doi.org/10.1007/s40843-026-4073-2
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Frequently Asked Questions
What is the underlying mechanism by which dimerization induces a face-on orientation in M-series acceptors, and how does this affect charge transport anisotropy?
Dimerization of MC16 into DMC16 suppresses over-aggregation and molecular diffusion, promoting a predominant face-on packing orientation. This transition reverses charge-transport anisotropy from lateral to vertical, enabling balanced ambipolar charge transport and efficient carrier extraction, as evidenced by enhanced PCE and stability.
How does DMC16-based OSC thermal stability compare to state-of-the-art systems, and what are the specific degradation kinetics?
DMC16-based OSCs retain 94% of initial efficiency after 1800 h at 85 °C and 74% after an additional 1000 h at 120 °C, demonstrating outstanding thermal stability. This is superior to many SMA-based systems that suffer from rapid degradation due to molecular diffusion and aggregation.
What is the impact of DMC16 as a third component on ternary blend morphology and device efficiency?
Incorporating DMC16 into PM6:M36 ternary blends optimizes blend morphology and stability, delivering a PCE of 19.04%, among the highest for ADA-type small-molecule acceptors. The guest acceptor also enhances operational stability under thermal stress and continuous illumination.
What are the scalability prospects of DMC16-based OSCs for large-area modules?
DMC16-based minimodules achieve over 15% PCE with an active area of 10.15 cm2, demonstrating excellent scalability. This indicates potential for commercial manufacturing, though further optimization of large-area coating processes is needed.
How does the dimerization strategy address the trade-off between efficiency and stability commonly observed in SMA-based OSCs?
By suppressing over-aggregation and molecular diffusion, dimerization enhances morphological stability without compromising electronic properties. The face-on orientation improves vertical charge transport, leading to simultaneous gains in efficiency and stability, as shown by the high PCE and prolonged thermal stability.
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