Abstract:Perovskite solar cells have achieved a substantial breakthrough via advanced interface engineerings. Reports have emphasized that combining the hybrid perovskites with Lewis base and graphene improve the performance; the underlying mechanisms are not yet fully understood. Here, using density functional theory, we show that upon the formation of CH 3 NH 3 PbI 3 interfaces with three different Lewis base molecules and graphene, the binding strength with S -donors thiocarbamide and thioacetamide is higher than wi… Show more
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