Design and optimization study of all inorganic based double-absorption- layer CsPbI3/MoS2 heterojunction perovskite solar cells by SCAPS-1D

Abstract

In recent years, perovskite solar cells (PSCs) continue to be a popular issue due to their high-power conversion efficiency (PCE%) and cost-effective production process. The CsPbI3 absorber layer used to produce PSCs limits the efficiency of the structure because it can absorb low-energy photons. Therefore, in this study, for the first time, CsPbI3 and CsPbI3/MoS2 single and double absorber based inorganic heterojunction PSCs were studied in detail, compared and optimized by using Solar Cell Capacitance Simulator (SCAPS-1D) software package. We discussed how the photovoltaic efficiency changed based on the open-circuit voltage (Voc), circuit current density (Jsc), quantum efficiency (QE), PCE% and fill factor (FF) relies on layer thickness, operating temperature, defect density (Nt), acceptor (NA) and donor density (ND), and heterojunction design. CuSbS2 and PCBM were chosen as the HTL and ETL layers, respectively. Depending on the results obtained from the SCAPS-1D, the optimum parameters for the Au/HTL/CsPbI3/ETL/FTO single layer device were determined as Thickness = 300 nm, Nt = 1011 cm-3, NA = 1013 cm-3, and T = 310 K. Then, the optimum parameters of MoS2 for the Au/HTL/CsPbI3/MoS2/ETL/FTO double layer-based device were determined as Thickness = 600 nm, Nt = 1010 cm-3 and ND = 1018 cm-3. It has been observed that MoS2 increases the light absorption capacity of the PSC device. As a result, the solar cell efficiency of the device with MoS2 has improved from 20.44 % to 40.66 % compared to the single-layer device. Additionally, in this study, presented a new approach for the future development at highly efficient, stable and completely inorganic PSCs integrated with transition metal dichalcogenide(TMDs; MoS2) materials.