Numerical simulation based performance enhancement approach for an inorganic BaZrS3/CuO heterojunction solar cell

Abstract One of the main components of the worldwide transition to sustainable energy is solar cells, usually referred to as photovoltaics. By converting sunlight into power, they lessen their reliance on fossil fuels and the release of greenhouse gases. Because solar cells are decentralized, distributed energy systems may be developed, which increases the efficiency of the cells. Chalcogenide perovskites have drawn interest due to their potential in solar energy conversion since they provide distinctive optoelectronic characteristics and stability. But high temperatures and lengthy reaction periods make it difficult to synthesise and process them. Therefore, we present the inaugural numerical simulation using SCAPS-1D for emerging inorganic BaZrS 3 /CuO heterojunction solar cells. This study delves into the behaviour of diverse parameters in photovoltaic devices, encompassing efficiency (η) values, short-circuit current density (J sc ), fill factor (FF), and open-circuit voltage (V oc ). Additionally, we thoroughly examine the impact of window and absorber layer thickness, carrier concentration, and bandgap on the fundamental characteristics of solar cells. Our findings showcase the attainment of the highest efficiency (η) values, reaching 27.3% for our modelled devices, accompanied by J sc values of 40.5 mA/cm 2 , V oc value of 0.79 V, and FF value of 85.2. The efficiency (η) values are chiefly influenced by the combined effects of V oc , J sc , and FF values. This optimal efficiency was achieved with CuO thickness, band gap, and carrier concentration set at 5 µm, 1.05 eV, and above 10 19 cm −3 , respectively. In comparison, the optimal parameters for BaZrS 3 include a thickness of 1 µm, a carrier concentration below 10 20 cm −3 , and a band gap less than 1.6 eV. Therefore, in the near future, the present simulation will simultaneously provide up an entirely novel field for the less defective perovskite solar cell.