Due to their excellent photoelectron chemical properties and suitable energy level alignment with perovskite, perylene diimide (PDI) derivatives are competitive non-fullerene electron transport material (ETM) candidates for perovskite solar cells (PSCs). However, the conjugated rigid plane structure of PDI units result in PDI-based ETMs tending to form large aggregates, limiting their application and photovoltaic performance. In this study, to restrict aggregation and further enhance the photovoltaic performance of PDI-type ETMs, two PDI-based ETMs, termed PDO-PDI2 (dimer) and PDO-PDI3 (trimer), were constructed by introducing a phenothiazine 5,5-dioxide (PDO) core building block. The research manifests that the optoelectronic properties and film formation property of PDO-PDI2 and PDO-PDI3 were deeply affected by the molecular spatial configuration. Applied in PSCs, PDO-PDI3 with three-dimensional spiral molecular structure, exhibits superior electron extraction and transport properties, further achieving the best PCE of 18.72% and maintaining 93% of its initial efficiency after a 720-h aging test under ambient conditions.

由于their二酰亚胺（PDI）衍生物具有出色的光电子化学性质和与钙钛矿的合适能级对准，因此它们是钙钛矿太阳能电池（PSC）的竞争性非富勒烯电子传输材料（ETM）候选材料。但是，PDI单元的共轭刚性平面结构导致基于PDI的ETM倾向于形成大的聚集体，从而限制了其应用和光伏性能。在这项研究中，为限制聚集并进一步增强PDI型ETM的光伏性能，通过引入吩噻嗪5,5-来构建两种基于PDI的ETM，分别称为PDO-PDI2（二聚体）和PDO-PDI3（三聚体）。二氧化碳（PDO）核心构件。研究表明，PDO-PDI2和PDO-PDI3的光电性能和成膜性能受分子空间构型的影响很大。应用于PSC中的具有三维螺旋分子结构的PDO-PDI3具有优异的电子提取和传输性能，在环境条件下经过720h老化测试后，进一步获得了18.72％的最佳PCE，并保持了93％的初始效率。