Numerical simulation and optimal design of perovskite solar cell based on sensitized zinc oxide electron-transport layer

The present manuscript deals with the numerical simulation and optimization of a planar perovskite solar cells (PSC) based on sensitized zinc oxide (ZnO) electron-transport layer (ETL) using solar cell capacitance simulator (SCAPS). Various device parameters such as perovskite thickness, doping density, bulk defect density, interface defect density and metal contact electrode effect on our PSC performance have been rigorously investigated. Simulation results demonstrate that optimizing the methylammonium lead triiodide perovskite (MAPbI₃) absorber thickness of 600 nm with 10¹⁶ cm⁻³-dopant concentration and defect density lower than 10¹⁵ cm⁻³ is crucial for improved the device performance. Furthermore, the reduction of interfacial defect densities, specifically Zn:Co-NG/MAPbI₃ to 10¹¹ cm⁻² and perovskite/Spiro-OMeTAD to 10¹² cm⁻², is crucial for enhancing device efficiency. In addition, replacing the Ag electrode with an Au electrode, which has a higher work function back contact material, is found to be more favorable for improving device efficiency. Through optimization, a high-efficiency perovskite solar cell with an efficiency of 21.16% is achieved. These simulation results can help researchers to construct high-performance planar perovskite solar cells in the most efficient way.