Theoretical study of the impact of the D/A system polymer and anodic interfacial layer on inverted organic solar cells (BHJ) performance

In this paper, we numerically study the Bulk Heterojunction (BHJ) inverted organic solar cells (OSCs) of ITO/ ETL/POLYMER:PCBM/HTL/Ag using the effective medium model (EMM) with SCAPS-1D potential numerical tool. This model contributes to the charge transport processes understanding. We investigate the influence of two elements: the polymer material of the active layer poly(3-hexylthiophene) (P3HT)/polythieno[3,4-b]-thiopheneco-benzodithiophene (PTB7), and the anodic interfacial film (HTL) Poly (3,4-ethylene dioxythiophene):poly (styrenesulfonate) (PEDOT:PSS)/molybdenum trioxide (MoO3) on the electrical and optical performance of the devices: open circuit voltage (Voc), short circuit current (Jsc), fill factor (FF) power conversion efficiency (PCE), and the external quantum efficiency (EQE). Our results indicate an efficiency improvement (PCE) of 5.73% for the PTB7 solar cell compared to the P3HT of 4.88%. Also, the PCE of the device increases further to 5.92% with the modification of the anodic thin film PEDOT:PSS by MoO3. The simulated results show a good agreement with the results published in theory.