时间: 10月16日（周二），上午10点

地点: 化学楼二楼会议室

报告人： 苏州大学 尹万健 教授

摘要：Perovskite solar cells based on prototype CH3NH3PbI3 have recently shown remarkable performance. In this talk, I will give a brief introduction to the origin of superior properties of perovskite. After that, we have found a new stability descriptor (μ+t)η, which performed much better than tolerance factor t to judge the stability of perovskite. We further combine machine learning (ML) and density functional calculations and propose a strategy to calculate the decomposition energies, considered to be closely related to thermodynamic stability, of 354 kinds halide perovskites, establish the machine learning relationship between decomposition energy and compositional ionic radius and investigate the stability of 14,190 halide double perovskites. The ML-predicted results lead us to rediscover a series of stable rare earth metal halide perovskites (up to ~103 kinds), indicating the generalization of this model and further provide elemental and concentration suggestions for improving the stability of mixed perovskite.