Molecular Orientation and Femtosecond Electron Transfer Dynamics in Halogenated and Nonhalogenated, Eco-Friendly Processed PTB7-Th, ITIC, PTB7-Th:ITIC, and PTB7-Th:PCBM Films
Molecular Orientation and Femtosecond Electron Transfer Dynamics in Halogenated and Nonhalogenated, Eco-Friendly Processed PTB7-Th, ITIC, PTB7-Th:ITIC, and PTB7-Th:PCBM Films
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DOI：
10.1021/acs.jpcc.2c01298
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发表时间：
2022-06
期刊：
影响因子：
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通讯作者：
W. A. Misael;E. Péan;B. Borges;Gabriela da Cruz Mello;Luana Wouk;M. Davies;L. Roman;M. L. Rocco-M.-L.-R
中科院分区：
文献类型：
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作者：
W. A. Misael;E. Péan;B. Borges;Gabriela da Cruz Mello;Luana Wouk;M. Davies;L. Roman;M. L. Rocco-M.-L.-R
PTB 7-Th聚合物和非富勒烯受体ITIC分子中的电子结构和形态的协同效应导致了最先进的有机太阳能电池系统，实现了超过12%的功率转换效率（PCE）值。此外，用不损害PCE值的环境友好溶剂替代有害的卤化溶剂已成为最近文献中非常感兴趣的主题。在这项工作中，我们采用硫K边角分辨近边X射线吸收精细结构，共振俄歇光谱，和芯孔时钟光谱，试图获得不同的处理方法对这些系统的电子和形态学性质的影响的信息。还进行了与使用常规受体分子的PTB 7-Th：PCBM共混物的比较。稳态和时间分辨的光致发光的结果，获得了纯PTB 7-Th和共混物与ITIC和PCBM。利用限制激发窗口含时密度泛函理论进行了理论计算。我们的研究结果表明，邻甲基苯甲醚是一个潜在的替代传统的卤化溶剂邻二氯苯，因为他们表明，在形态和电荷转移动力学方面，没有表现出的变化发生通过改变溶剂和热退火。
Synergistic effects of the electronic structure and morphology in the PTB7-Th polymer and the nonfullerene acceptor ITIC molecule resulted in state-of-art systems for organic solar cells, achieving over 12% power conversion efficiency (PCE) values. Furthermore, the substitution of harmful halogenated solvents to environmentally friendly solvents that do not compromise PCE values has become a subject of great interest in recent literature. In this work, we employed sulfur K-edge Angle-Resolved Near-Edge X-ray Absorption Fine Structure, Resonant Auger Spectroscopy, and the core-hole clock spectroscopy in an attempt to gain information on the effect of different processing methods on the electronic and morphological properties of these systems. Comparison with the PTB7-Th:PCBM blend, which uses a conventional acceptor molecule, was also performed. Steady-state and time-resolved photoluminescence results were obtained for neat PTB7-Th and blends with ITIC and PCBM. Theoretical calculations were performed utilizing restricted-excitation-window time-dependent density functional theory. Our results shows that ortho-methylanisole is a potential replacement to the conventional halogenated solvent ortho-dichlorobenzene, as they show that in terms of morphology and charge transfer dynamics, no expressive changes occurred by varying the solvent and by thermal annealing.