Numerical modeling and performance optimization of all inorganic Pb free novel NaSnCl3 based perovskite solar cells via SCAPS-1D framework

The Lead (Pb) free all inorganic perovskite solar cells (PSCs) are garnering prominent interest in place of conventional organic-inorganic lead halide-based PSCs owing to hazardous nature of Pb and volatile virtue of organic components. In that quest, novel NaSnCl₃ perovskite is explored with anticipation of synergetic intermingling of high-performance, stability and cost-effectiveness. Current work elaborates numerical modeling of glass/ITO/WS₂/NaSnCl₃/CuO/metal-contact configured PSCs by SCAPS-1D framework where WS₂ and CuO act as charge-transport layers. Performance of NaSnCl₃ based PSCs is numerically optimized by tuning various input parameters. Variation in thickness of NaSnCl₃ layer from 300 nm to 1500 nm leads to boost efficiency (η) of devices from 10.82% to 12.54% and short-circuit current-density (J_sc) from 24.37 to 28.94 mA/cm². Increment in defect density from 10¹² cm^-3 to 10¹⁶ cm^-3 induced reduction in open circuit voltage (V_oc) from 552.91 to 283.96 mV. Acceptor concentration of NaSnCl₃ layer played crucial role in enhancement of performance of PSCs since V_oc and η are enhanced from 550 mV to 850 mV and from 12.54 to 18.57%, respectively with increment in doping density. At optimized conditions, designed PSC devices showed the elevated efficiency of 25.04% which demonstrated tremendous potential of NaSnCl₃ perovskites in futuristic PV applications.