This report presents two tetrapropyl-substituted metal phthalocyanines (PdPrPc and ZnPrPc) used as dopant-free hole transport materials (HTMs) for perovskite solar cells (PSCs). The substitution of Pd atom did not significantly reduce the mobility of the material but increased its lowest unoccupied molecular orbital (LUMO) level. Owing to spin-orbit coupling, the PdPrPc is thought to have a longer carrier diffusion length than that of the ZnPrPc. The higher LUMO level together with the longer carrier diffusion length of the PdPrPc reduced the hole-electron recombination, which led to a higher FF value of its PSC, giving rise to a higher PCE of 18.09% than that of the ZnPrPc-based device. Further, the PdPrPc-based PSC exhibited an increased stability compared with the ZnPrPc-based one. The result indicates the potential application of MPcs containing heavier atoms in efficient and stable PSCs.

该报告介绍了两种四丙基取代的金属酞菁（PdPrPc和ZnPrPc），用作钙钛矿太阳能电池（PSC）的无掺杂空穴传输材料（HTM）。Pd原子的取代不会显着降低材料的迁移率，但会增加其最低的未占据分子轨道（LUMO）含量。由于自旋轨道耦合，PdPrPc被认为具有比ZnPrPc更长的载流子扩散长度。较高的LUMO含量和较长的PdPrPc载流子扩散长度减少了空穴-电子复合，这导致其PSC的FF值更高，从而使PCE高于基于ZnPrPc的器件的PCE为18.09％。另外，与基于ZnPrPc的PSC相比，基于PdPrPc的PSC显示出增加的稳定性。