Triple hole transporting and passivation layers for efficient NiOX-based wide-bandgap perovskite solar cells

In order to fabricate nickel oxide (NiOX)-based perovskite solar cells with high efficiency and stability, adverse reaction and lattice mismatch are two urgent problems to be overcome. In this respect, interface engineering was carried out by multi-layer passivation NiOX HTLs (NiOX/2PACz/Poly-TPD/PEAI) to provide optimized interface contact between NiOX and perovskite, ameliorate band alignment, and saturate the defect states. Application of 2PACz avoids direct contact of the hydroxyl groups (which causes degeneration of a device), improves conductivity, and reduces interfacial defects. The poly-TPD modification can provide an appropriate band alignment at the interface of NiOX/perovskite. PEAI was used to modify the Poly-TPD surface, and its −NH3 group can passivate unbonded Pb ions of perovskite. Thus, compared with previously reported single-function passivation materials, the multilayer passivation proposed in this paper integrates multiple functions. As a result, the NiOX/2PACz/Poly-TPD/PEAI-based wide bandgap PSCs obtain a champion power conversion efficiency (PCE) of 20.21% and maintain over 95% of their initial PCE values after storage in a nitrogen atmosphere for 1000 h. This finding provides a practical approach for fabricating high-performance regular PSCs with NiOX-based HTLs and supports their commercialization.