Unravel the Effects of UV Light on the Lattice Stability of Perovskite via Numerical Simulation

Abstract The light degradation of perovskite greatly hinders the commercialization of perovskite solar cells, which is yet to be resolved, despite the many attempts. A simulation method is applied here to illustrate the degradation kinetics, which reveals that under dark conditions, these perovskites show minimal degradation, suggesting that water and oxygen have little damaging effect without light. However, exposure to UV light significantly accelerates the degradation, which can be reduced by introducing self‐assembling from Zn 2+ and 1‐(triazol‐1‐ly)‐4‐(tetrazol‐5‐ylmethyl) benzene (Zn‐TTB) as an additive. This indicates that defect passivation via additives can significantly enhance the durability of perovskite materials. These findings not only provide insights into the kinetics of UV‐induced degradation of perovskites but also highlight the role of additives in improving the longevity of these materials, offering promising directions for their practical application under UV‐exposed conditions.