ADRENALINE - hAliDe peRovskites sEqueNtiAL deposItioN mEchanism (by ab initio

The objective of the ADRENALINE project is to study the atomistic mechanism, energetics and kinetics of the sequential deposition method of (hybrid) lead halide perovskites for 3rd generation solar cells and optoelectronics applications. The project is based on ab initio rare event simulations of the key step of the process, the intercalation of the cation A+ (me- thylammonium, CH3NH3+, formamidinium, (NH2)2CH+, and Cesium cation, Cs+) and anion X- (I-, Br- and Cl-) and reorganization of the intermediate product into the final one. The PI of the ADRENALINE project is an expert of rare event techniques who have contribute to de- velop some of the methods used in the field. Dr. Meloni has already applied rare event tech- niques to processes occurring in lead halide perovskites. The project will be developed in parallel to an experimental activity performed in the group of Prof Graetzel.