Performance optimization of CH3NH3Pb(I1-xBrx)3 based perovskite solar cells by comparing different ETL materials through conduction band offset engineering

Numerical simulations can provide the physical insights into the carrier transport mechanism in the solar cells, and the factors influencing their performance. In this paper, perovskite solar cell (PSC) based on the mixed perovskite (CH3NH3Pb(I1-xBrx)(3) has been numerically simulated using the SCAPS simulator. A comparative analysis of different electron transport layers (ETLs) based on their conduction band offsets (CBO) has been performed, while Spiro-OMeTAD was used as a hole transport layer (HTL). Among the proposed ETLs, CdZnS performed better and demonstrated the power conversion efficiency (PCE) of 25.20%. Also, the PCE of the PSC has been optimized by adjusting the doping concentrations in the ETL, Spiro-OMeTAD layer, and the thickness of the perovskite light absorber layer. It was found that the doping concentration of 10(21) cm(-3) for the CdZnS based ETL and 10(20) cm(-3) for Spiro-OMeTAD are the optimum concentrations values for demonstrating enhanced efficiency. A 600 nm thick perovskite layer has found to be appropriate for the efficient PSC design. For the initial guessing and numerical model validation, the photovoltaic data of a very stable (over one year with PCE similar to 13%) n-i-p structured (ITO/TiO2/CH3NH3Pb(I1-xBrx)(3)/Spiro-OMeTAD/Au) PSCs was used. These numerically simulated results signify the optimum performance of the photovoltaic device that can be further implemented to develop the highly efficient PSCs.