分子内疾病对聚合物太阳能电池中热激子动态的影响
Maomao Zhang1, Qiuxia Lu1, Xiaojing Liu1
1College of Physics and Hebei Advanced Thin Film Laboratory, Hebei Normal University, Shijiazhuang 050024, Hebei, P. R. China. zan@hebtu.edu.cn.
Physical chemistry chemical physics : PCCP
|July 12, 2023
概括
内分子乱显著影响聚合物太阳能电池 (PSC) 中的热激子动态. 外对角障碍 (ODD) 在调节激子产量和内部转换方面比对角障碍 (DD) 更有影响力,指导改善电荷生成.
科学领域:
- 材料科学 材料科学 材料科学
- 物理化学 物理化学
- 有机电子 有机电子
背景情况:
- 聚合物太阳能电池 (PSC) 中的热刺激子对于电荷产生至关重要,但由于产量低和快速的内部转换 (IC) 而面临限制.
- 了解聚合物微观特性与热激子行为之间的联系对于提高PSC效率至关重要.
- 目前控制热激子动态的策略缺乏与聚合物结构特征的明确相关性.
研究的目的:
- 从理论上研究分子内障碍 (对角障碍 - DD,和离对角障碍 - ODD) 对PSC热激子动态的影响.
- 阐明DD和ODD在影响热激子产量和内部转换过程中的特定作用.
- 为优化聚合物设计提供见解,通过热激子解离促进电荷生成.
主要方法:
- 利用紧固结合模型计算来模拟和分析热激子动态.
- 量化了不同程度的对角障碍 (DD) 和离对角障碍 (ODD) 对刺激行为的影响.
- 研究了分子内疾病,热激素产量和内部转换放松时间之间的相互作用.
主要成果:
- 与对角障碍 (DD) 相比,离对角障碍 (ODD) 对热刺激产量有更大的影响.
- 热刺激子的内部转换放松时间对DD和ODD的强度具有非单调的依赖性.
- 内分子乱有效调节激素解离和内部转换之间的竞争.
结论:
- 内部分子乱是控制PSC中热激子动态的关键因素.
- 在确定热刺激产量的过程中,ODD比DD发挥更重要的作用.
- 这些发现为设计可通过优化热激子解离路径来增强电荷生成的聚合物提供了理论框架.
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