Numerical insights of lead-free manganese-based perovskite solar cell.

The lead-free (Pb-free) perovskite solar cell draws a significant interest in the current photovoltaic (PV) technology due to their substantial improvement in efficiency and their better environmental compatibility. This study uses the computational methods for the efficient identification of optimal ETL and HTL materials without the need for extensive experimental trials. The numerical study of the manganese (Mn)-based ([NH3-(CH2)2-NH3]MnCl4) perovskite solar cell using the one-dimensional solar cell capacitance simulator SCAPS 1D is performed. SCAPS is considered due to its proven accuracy and reliability in simulating the performance of perovskite solar cells, providing detailed insights into device behavior. The optimization of the charge transport layers is accomplished by interrelating the built-in potential (Vbi) with the open-circuit voltage (VOC) which in turn exhibits a direct relationship between them. It is concluded from the simulation analysis that the ECB_ETL-EVB_HTL, ΦFC-EVB_HTL, ΦBC-ECB_ETL, and Vbi indicate a significant impact on the device performance. It is also obtained from a simulation study that to attain a high-performance solar cell, a barrierless interface formation is an essential condition. In the current simulation analysis, the ZnTe and CuAlO2 are considered as optimized HTL, whereas for the ETL, ZnSnN2 is considered which enhances the PCE up to 27.43% which is considered a significant improvement in the Pb-free Mn-based single-junction perovskite solar cell. These findings unlock a new opportunity for further development of Pb-free perovskite solar cells (PSC). [ABSTRACT FROM AUTHOR]