Theoretical design of A/B-site co-doped CsPbI 3 perovskites for enhanced stability and photovoltaic performance

as the optimal absorber material. After optimizing absorber layer thickness and defect density, the corresponding hole-transport-layer-free solar cell achieves a predicted power conversion efficiency of 24.49%. This work demonstrates that strategic A- and B-site co-doping can effectively balance structural stability, optoelectronic properties, and device performance, providing a viable pathway for developing high-efficiency, lead-reduced inorganic perovskite solar cells.