In this study, we have attempted to gain insights into the impact of alkoxy side-chains substituted on the end group of the non-fullerene acceptor. It has been shown by experimental studies that the length and position of these alkoxy side-chains substantially influence the power conversion efficiencies of solar cell devices. A detailed analysis has been made on how the length of the alkoxy side-chains impact the molecular packing and electronic and optical properties of conjugated polymers and non-fullerene acceptor blends using quantum chemical methods. The results obtained from this study provide information on why a particular alkoxy side-chain results in better device efficiencies.

在这项研究中，我们试图深入了解取代的烷氧基侧链对非富勒烯受体端基的影响。实验研究表明，这些烷氧基侧链的长度和位置基本上影响太阳能电池器件的功率转换效率。已经使用量子化学方法对烷氧基侧链的长度如何影响共轭聚合物和非富勒烯受体共混物的分子堆积以及电子和光学性质进行了详细分析。从这项研究中获得的结果提供了有关为什么特定烷氧基侧链会导致更好的器件效率的信息。