Organic–inorganic hybrid metal halide perovskites are poised to revolutionize the next generation of photovoltaics with their exceptional optoelectronic properties and compatibility with low-cost and
This is the data repository related to the simulations of alloy [FA,Cs]PbI3 Perovskite Surfaces. The surfaces here (Slabs.tgz) included are the relaxed structure of the slab models obtained by making
Layered perovskites with the formula (R–NH3)2PbI4 have excellent environmental stability but poor photovoltaic function due to the preferential orientation of the semiconducting layer parallel to the
In this work, 1,3-disubstituted urea additives are employed to study the effect of different substituents at −NH moiety on the quality of the perovskite layer and device performance. This data set con