Impact of Active Layer Morphology on Bimolecular Recombination Dynamics in Organic Solar Cells,The Journal of Physical Chemistry C

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Impact of Active Layer Morphology on Bimolecular Recombination Dynamics in Organic Solar Cells
The Journal of Physical Chemistry C ( IF 3.3 ) Pub Date : 2017-11-07 00:00:00 , DOI: 10.1021/acs.jpcc.7b07768
Veaceslav Coropceanu ₁ , Jean-Luc Brédas ₁ , Shafigh Mehraeen ₂

Affiliation

Using kinetic Monte Carlo simulations, we present a reaction-diffusion model to describe the impact of the morphology of the active layer and charge-transfer lifetime on the bimolecular recombination kinetics in organic solar cells. The morphologies we consider range from bilayers to bulk heterojunctions with coarse and fine intercalated domains. We find that within the morphologies simulated by the potential model, it is the density of states that affects the order of bimolecular recombination kinetics. The results show that the morphology of the active layer, modeled by the potential model, only influences the average delay time between the exciton dissociation and the onset of bimolecular recombination. The results also indicate that the donor or acceptor domain size and the degree of Gaussian disorder have very similar effects on the charge recombination dynamics. Our findings suggest one possible way to explain (i) why bimolecular recombination deviates from second-order (Langevin) kinetics and (ii) why Langevin theory overestimates the bimolecular rate constant.

中文翻译：

活性层形态对有机太阳能电池中双分子复合动力学的影响

使用动力学蒙特卡洛模拟，我们提出了一种反应扩散模型，以描述活性层的形态和电荷转移寿命对有机太阳能电池中双分子重组动力学的影响。我们考虑的形貌范围从双层到具有粗糙和精细插入域的本体异质结。我们发现，在电势模型模拟的形态内，状态密度会影响双分子重组动力学的顺序。结果表明，用电势模型建模的活性层的形态仅影响激子解离与双分子重组开始之间的平均延迟时间。结果还表明，供体或受体域的大小和高斯紊乱的程度对电荷重组动力学具有非常相似的影响。我们的发现提出了一种可能的方式来解释（i）为什么双分子重组偏离二级（Langevin）动力学，以及（ii）为什么Langevin理论高估了双分子速率常数。

更新日期：2017-11-08

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