Design and optimization of an efficient 2D Dion-Jacobson perovskite/AgInSe solar cells

This study proposes an efficient design for 2D Dion-Jacobson Perovskite/Chalcopyrite solar cells, replacing the conventional toxic cadmium sulfide (CdS) electron transport layer (ETL) with a two-dimensional BDAPbBr₄ Dion-Jacobson (DJ) perovskite. Using the SCAPS-1D simulator, the performance of the proposed structure was investigated and compared to experimental results, showing excellent agreement. The findings reveal that the inclusion of the BDAPbBr₄ layer improves the open-circuit voltage (VOC) from 0.5 V in the conventional design to 0.74 V in the optimized device. Additionally, the power conversion efficiency (PCE) increases significantly from 6 % to 10.32 %. These enhancements are attributed to the reduced interface defect density, establishment of a favorable band alignment with a spike-like configuration, and improved light transmission due to the wide bandgap of the BDAPbBr₄ layer. The study further examines the impact of key parameters, including the thickness and doping concentration of the layers, temperature effects, and interface defect density, on device performance. The results underscore the importance of optimizing the ETL properties to mitigate recombination losses and enhance charge carrier extraction. Overall, this work highlights the potential of 2D DJ perovskites as an environmentally friendly and efficient alternative to CdS in Chalcopyrite solar cells, paving the way for greener photovoltaic technologies.