Solar power conversion: CuI hole transport layer and Ba3NCl3 absorber enable advanced solar cell technology boosting efficiency over 30%

Abstract

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 (V_OC), short circuit current (J_SC), 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 V_OC of 1.0649 V, a J_SC 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.