Novel Lead-Free Material Cs2PtI6 with Narrow Bandgap and Ultra-Stability for Its Photovoltaic Application

Lead halide perovskite has in recent years gained widespread interest due to its excellent physical and chemical properties, as well as superior optoelectronic performance. However, some restrictions still preclude full industrialization of the material, in particular toxicity issues and instability as a result to sensitivity to humidity. Lead-free all-inorganic double perovskite materials have thus recently become a focus of research. Herein, a new narrow bandgap lead-free double perovskite solar cell with a high-quality Cs 2 PtI 6 film is proposed. It exhibits an optical bandgap of 1.37 eV, absorption within a wide range of wavelengths, and a high absorption coefficient. Following optimization, the device displays a best power conversion efficiency of 0.72% with an open-circuit voltage of 0.73 V, a short-circuit current of 1.2 mA/cm 2, and a fill factor of 0.82. Crucially, it also demonstrates excellent stability when exposed to extreme conditions such as high humidity, high temperature, and UV-light irradiation. Stability tests show that the PSCs can retain almost 80% of the original efficiency over 60 days stored in ambient temperature without any encapsulation, boosting prospects for applications of lead-free perovskite solar cells.