Mechanism of defect passivation achieved by chemical interaction in inverted perovskite solar cells

A variety of defects exist in the solution-processed polycrystalline perovskites, resulting in photovoltaic output losses and degradation. Chemical interaction is a promising way to realize the passivation of defects. Herein, cetyl pyridinium bromide (CPB) containing both pyridine units and long-chain alkyl groups was introduced in the perovskite precursor solution as a passivation agent. Experimental results show that pyridine unit in CPB formed coordination with uncoordinated Pb ²⁺, which also interact with N–H in MAPbI ₃. Meanwhile, long-chain alkyl groups in CPB had interaction with MAI and PbI ₂ in MAPbI ₃ . Thus, trace amount of CPB in the precursor solution improved the optoelectronic properties of perovskite films and suppressed non-radiative carrier recombination in perovskite solar cell (PSC). CPB-modified perovskite films exhibit a lower trap-state density and stronger carrier migration capability. It enables the significant enhancement of PCE values of the p-i-n structured PSC from 18.27 % to 20.53 %, accompanied by the improved stability. Our work exhibits more possibility between passivating additive and PSC performance.