DFT calculations predict that thiocarbamide (TCA) forms the strongest, most trap-passivating interface between CH3NH3PbI3 and graphene among three Lewis bases, consistent with a measured PCE increase from 10.20% to 13.03%.
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Interface Engineering in Hybrid Iodide CH3NH3PbI3 Perovskite Using Lewis Base and Graphene towards High Performance Solar Cells
DFT calculations predict that thiocarbamide (TCA) forms the strongest, most trap-passivating interface between CH3NH3PbI3 and graphene among three Lewis bases, consistent with a measured PCE increase from 10.20% to 13.03%.