1, Weizmann Institute of Science, Rehovoth, , Israel
The optical and transport properties of lead-halide perovskites (LHPs) have been used as a basis for new solar cell technologies showing record improvements in efficiencies. In the search for the microscopic origins of this success, many recent studies suggest that structurally dynamic effects are active already at room temperature and standard operating conditions and may affect device performance and/or stability. Here, we explore this issue using first-principles calculations based on density functional theory. In particular, we focus on ion migration and dynamic distortions.