Solar power conversion: CuI hole transport layer and Ba ₃ NCl ₃ absorber enable advanced solar cell technology boosting efficiency over 30%

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Researchers are becoming more interested in novel barium-nitride-chloride (Ba3NCl3) hybrid perovskite solar cells (HPSCs) due to their remarkable semiconductor properties. An electron transport layer (ETL) built from TiO2 and a hole transport layer (HTL) made of CuI have been studied in Ba3NCl3-based single junction photovoltaic cells in a variety of variations. Through extensive numerical analysis using SCAPS-1D simulation software, we investigated elements such as layer thickness, defect density, doping concentration, interface defect density, carrier concentration, generation, recombination, temperature, series and shunt resistance, open circuit voltage (VOC), short circuit current (JSC), fill factor (FF), and power conversion efficiency (PCE). The study found that the HTL CuI design reached the highest PCE at 30.47% with a VOC of 1.0649 V, a JSC of 38.2609 mA cm−2, and an FF of 74.78%. These findings offer useful data and a practical plan for producing inexpensive, Ba3NCl3-based thin-film solar cells.