结合聚合物的聚合物中的形状顺序
Nicholas E Jackson1, Kevin L Kohlstedt1, Brett M Savoie1
1†Department of Chemistry, Northwestern University, Evanston, Illinois 60208, United States.
Journal of the American Chemical Society
|April 30, 2015
概括
了解合聚合物结构是高效有机半导体的关键. 当地分子排序,而不是晶体性,对于高性能有机光伏设备至关重要,受溶剂相互作用的影响.
科学领域:
- 有机电子学有机电子学
- 聚合物科学 聚合物科学
- 材料化学 材料化学
背景情况:
- 合聚合物对有机半导体至关重要,但它们的复杂结构阻碍了对它们的中等尺度特性的理解.
- 从化学结构预测中层次排序和确定高效设备的形态仍然是一个挑战.
研究的目的:
- 为了将聚合物分子结构与合聚合物的中尺度结构和形态属性相关联.
- 确定控制聚合物溶解性的关键因素及其对有机电子应用形态学的影响.
主要方法:
- 对联聚合物的精确经典力场的参数化.
- 分子动力学模拟用于计算聚合物链的结构和聚合特征.
- 分析聚合物设备效率与形状类和排序的相关性.
主要成果:
- 分子动力学模拟成功地重现了实验观察到的聚合物排序.
- 有效的有机光伏设备使用一系列的聚合物构成类别.
- 当地分子排序,而不是远程结晶性,对于设备效率至关重要.
- 分散的π电子溶剂-聚合物相互作用,而不是静电,决定了聚合物的溶解性和形态.
结论:
- 溶液相形态显著影响有机半导体性能.
- 当地分子排序是高效有机光伏设备的关键要求.
- 溶剂的分散相互作用是聚合物可溶性和随后的形态学的主要驱动因素.
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