Exploring the air stability of all-inorganic halide perovskites in the presence of photogenerated electrons by DFT and AIMD studies

Developing ambient air and light stable perovskites could lead to significant advances in photocatalysis. Here, we report the chemical stability of CsPbX 3 (X = Cl, Br, and I) perovskites upon O 2 exposure in the presence of light using first-principles calculations.