有机光伏:了解溶液中聚合物供体的预聚合及其形态影响
Tonghui Wang1, Jean-Luc Brédas1
1Department of Chemistry and Biochemistry, The University of Arizona, Tucson, Arizona 85721-0088, United States.
Journal of the American Chemical Society
|January 25, 2021
概括
控制有机太阳能电池的形态是性能的关键. 本研究使用Flory-Huggins参数 (χ) 来将溶液中的聚合物与活性层形态联系起来,帮助优化设备.
科学领域:
- 材料科学
- 聚合物科学
- 有机电子
背景情况:
- 活性层的形态极大地影响了有机太阳能电池的性能.
- 控制这种形态仍然是有机太阳能电池发展的一个重大挑战.
研究的目的:
- 确定弗洛里-哈金斯相互作用参数 (χ) 作为溶液中的聚合物的度量.
- 将溶液聚合和分子间相互作用与有机太阳能电池中的活性层形态联系起来.
- 研究聚合物-聚合物和聚合物-溶剂相互作用对聚合行为的影响.
主要方法:
- 热力学分析
- 分子动力学模拟
- 长距离纠正密度函数理论计算
- 在或二溶液中检查四个聚合物供体.
主要成果:
- 弗洛里-哈金斯参数 (χ) 有效量化了溶液中的聚合物预聚合.
- 在 χ值,溶液聚合程度和活性层形态之间发现了直接的相关性.
- 分子间相互作用显著影响不同聚合物溶液中的 χ 值的变化.
结论:
- 弗洛里-哈金斯参数 (χ) 作为一个强大的桥梁,将分子相互作用,溶液聚合和活性层形态联系起来.
- 这项工作提供了关于有机太阳能电池的溶液相行为如何决定形态的详细理解.
- 这些发现为改善有机太阳能电池性能提供了改善形态控制的途径.
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