Exciton Binding Energies of Nonfullerene Small Molecule Acceptors: Implication for Exciton Dissociation Driving Forces in Organic Solar Cells

Exciton Binding Energies of Nonfullerene Small Molecule Acceptors: Implication for Exciton Dissociation Driving Forces in Organic Solar Cells
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非富勒烯小分子受体的激子结合能:对有机太阳能电池中激子解离驱动力的影响

DOI:
10.1021/acs.jpcc.8b07197
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发表时间:
2018-09
影响因子:
3.7
通讯作者:
Wei Zhixiang
Wei Zhixiang
中科院分区:
化学3区
文献类型:
--
作者:
Zhu Lingyun;Yi Yuanping;Wei Zhixiang

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降低激子解离成电荷转移态的驱动力是使能量损失最小化从而提高有机太阳能电池的功率转换效率的一种有效解决方案。传统上,驱动力应大于0.3eV以实现有效的激子解离。最近的实验表明,激子可以被有效地解离,而施主和受主之间的能量偏移非常小,但其机制还不清楚。在这里,我们使用系统优化的长程校正泛函与固态电子极化研究有机太阳能电池中的14个典型的非富勒烯小分子受体的激子结合能。结果表明,受主激子解离成电荷转移态的驱动力与激子结合能呈线性相关。激子结合能越小,所需的驱动力越低。此外,由于最大的电介质...
Reducing the driving force of exciton dissociation into charge-transfer states is one effective solution to minimize energy loss and thus to improve power conversion efficiencies for organic solar cells. Traditionally, the driving force should be larger than 0.3 eV to achieve efficient exciton dissociation. Recent experiments have shown that excitons can be effectively dissociated, whereas the energy offsets between donor and acceptor are extremely small, but the mechanisms are not understood yet. Here, we use system-optimized long-range corrected functional with solid-state electronic polarization to investigate exciton binding energies of 14 typical nonfullerene small molecule acceptors in organic solar cells. The results point to that the driving forces for dissociation of the acceptor excitons into charge-transfer states are linearly correlated to the exciton binding energies. The smaller the exciton binding energy, the lower driving force required. Moreover, primarily owing to the largest dielectric ...
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