Perovskite solar cells greatly enhance energy conversion efficiency and are attracting a lot of attention as next-generation solar cells. More efforts are being made to commercialize perovskites due to the possibility of various applications along wi...
Perovskite solar cells greatly enhance energy conversion efficiency and are attracting a lot of attention as next-generation solar cells. More efforts are being made to commercialize perovskites due to the possibility of various applications along with the price aspect, which are difficult for current silicon solar cells. However, low reliability and device degradation are major issues that restrict further application. In this work, the degradation process of MAPbI3 perovskite was studied by first-principles calculations. MAPbI3 transforms into a stable PbI2 material by the release of MA molecules and I atoms to the outside. The findings revealed that MA molecules and I atoms can diffuse into MAPbI3 and be released during the degradation process. On this basis, we inferred that PbI2 enclosed in MAPbI3 can have a significant influence on device degradation and discussed that it can delay device degradation by reducing the enclosed PbI2 in MAPbI3.