Improved Perovskite Structural Stability by Halogen Bond from Excessive Lead Iodide via Numerical Simulation

The short lifetime of perovskite solar cell devices limits the application technique, which is yet to be resolved, despite many attempts. An important step made here by numerical modelling method, reveals decomposition kinetics under protection halogen bonds from excess PbI2. Irregular diffusion behaviour water molecules observed when excessive PbI2 introduced, possibly due passivation and hindrance bond, resulting in a enhancement at least five times. detailed are also obtained analyzing rate curve, offering possible path towards high-stability PCE devices, increasing concentration above threshold, opens an unprecedented route research, is, hopefully, intrinsic interest broad materials research community as well.