Device modeling of non-fullerene organic solar cell by incorporating CuSCN as a hole transport layer using SCAPS

Heterojunction organic solar cells with a non-fullerene acceptor (NFA-BHJ-OSC) with inorganic hole transport layer (HTL) have drawn a lot of cognizance due to their greater efficiency compared with traditional Fullerene acceptor solar cells. The most often adopted HTL, PEDOT:PSS, degrades the device, due to the hygroscopic and acidic nature of PSS. Therefore, an alternate hole transport material is necessary to optimize the output of OSCs. A simulation on the performance of NFA-BHJ-OSC with an active layer of PBDB-T/ITIC incorporated with Copper (I) thiocyanate (CuSCN) as an HTL, is performed in the present paper using the software SCAPS 1-D. CuSCN is a p-type semiconductor having wider energy band gap in comparison to other inorganic hole transport materials. In the present simulation based work, NFA-OSC having CuSCN as the hole transport layer shows the optimized PCE of 20.36%, Fill Factor (FF) of 66.88%, JSC of 33.09 mA/cm2 and VOC of 1.0341 V by varying physical parameters such as active layer thickness, temperature, and properties of HTL and ETL. These values are promising to develop NFA-OSCs incorporating CuSCN as a HTL in the near prospect.