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arXiv 2607.10009physics.chem-ph

用于单组分太阳能电池的Y6薄膜中激子组成和动力学的定量分析

Quantitative Analysis of Exciton Composition and Dynamics in Y6 Films for Single-Component Solar Cells

Saba Mahmoodpour, Jiyeon Oh, Yanlin Liu, Zijian Gan, Wei You, Andrew M. Moran

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中文总结 AI 辅助

研究Y6薄膜中激子组成和动力学,用超快瞬态吸收光谱探测激子猝灭动力学,基于混合弗伦克尔-电荷转移态建立分析模型,提取相关参数,确定传输机制,建立定量框架,为Y6及其他非富勒烯受体研究提供依据。

中文摘要 AI 辅助

非富勒烯受体如Y6推动了高效有机光伏器件及单组分结构的发展,但激子传输和电荷解离的微观机制仍在研究中。本文用超快瞬态吸收光谱探测Y6薄膜与空穴传输层界面处的激子猝灭动力学。通过基于混合弗伦克尔-电荷转移态的分析模型,从实验数据中直接提取分子间电子耦合、电荷转移特征和系统-浴相互作用强度。分析表明激子态有20%-40%的电荷转移混合,确定了以离域介导的激子运动为特征的传输机制,相应猝灭动力学发生在界面约4nm内约1ps时间尺度上,建立了连接光谱观测与微观传输机制的定量框架。

英文摘要

Non-fullerene acceptors such as Y6 have enabled high-efficiency organic photovoltaic devices and motivated the development of single-component architectures; however, the microscopic mechanisms governing exciton transport and charge dissociation remain under active investigation. In particular, the interplay between Frenkel-charge-transfer excitations and their coupling to environmental fluctuations complicates the description of light absorption and subsequent exciton dynamics. Here, ultrafast transient absorption spectroscopy is used to probe exciton quenching dynamics in Y6 films interfaced with hole-transport layers. To interpret these measurements, we develop an analytical model based on hybrid Frenkel-charge-transfer states that enables direct extraction of intermolecular electronic couplings, charge-transfer character, and system-bath interaction strengths from experimental data. The analysis reveals a substantial charge-transfer admixture of 20-40% in the exciton states and identifies a transport regime characterized by delocalization-mediated exciton motion rather than purely diffusive hopping. Consistent with this interpretation, the corresponding quenching dynamics occur on a ~1 ps timescale within ~4 nm of the interface, suggesting a short-range injection mechanism facilitated by exciton delocalization. In addition to providing physical parameters for Y6, these results establish a quantitative framework that connects spectroscopic observables to microscopic transport mechanisms and can be generalized to other non-fullerene acceptors.

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