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
中科院分区:
文献类型:
--
作者:
Zhu Lingyun;Yi Yuanping;Wei Zhixiang
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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