A series of regioregular poly(3-hexylthiophenes) (rr-P3HTs) was synthetized by optimizing an eco-friendly Direct Arylation Polymerization (DArP) method, using as novel strategy, a gradual catalyst addition and temperature reaction increase improving P3HT quality. The polymers were analyzed and tested in organic solar cells (OSCs) in order to correlate the P3HTs properties with the power conversion efficiency (PCE). Results revealed that the best PCEs (3.6 and 3.4%) were reached with P3HTs of the highest RR (94 and 93% HT), with the lowest molecular weight (5.1 and 4.9 kDa) and, as X-ray diffraction in films and 2D-GIWAXS results endorse, with an edge-on orientation over the substrate, the largest size crystal and the highest Bragg's peaks, this latter feature could be the most effective reason to obtain the best PCEs. Theoretical calculations helped to understand how specific P3HT crystalline arrangements in the active layer favors the PCE.

通过优化生态友好的直接芳构化聚合（DArP）方法，合成了一系列区域规则的聚（3-己基噻吩）（rr-P3HTs），采用新颖的策略，逐步添加催化剂和提高温度反应可提高P3HT的质量。在有机太阳能电池（OSC）中对聚合物进行了分析和测试，以使P3HTs特性与功率转换效率（PCE）相关联。结果显示，具有最高RR（分别为HT和94％HT），分子量最低（分别为5.1和4.9 kDa）的P3HT以及薄膜和2D的X射线衍射可达到最佳的PCE（3.6％和3.4％） -GIWAXS结果得到认可，在基材上具有边沿定向，最大尺寸的晶体和最高的布拉格峰，后一个功能可能是获得最佳PCE的最有效理由。