Surface Passivation of Sputtered NiO Using a SAM Interface Layer to Enhance the Performance of Perovskite Solar Cells

Sputtered NiO (sp-NiO ) is a preferred hole transporting material for perovskite solar cells because of its hole mobility, ease of manufacturability, good stability, and suitable Fermi level for hole extraction. However, uncontrolled defects in sp-NiO can limit the efficiency of solar cells fabricated with this hole transporting layer. An interfacial layer has been proposed to modify the sp-NiO /perovskite interface, which can contribute to improving the crystallinity of the perovskite film. Herein, a 2-(3,6-dimethoxy-9H-carbazol-9-yl)ethyl]phosphonic acid (MeO-2PACz) self-assembled monolayer was used to modify an sp-NiO surface. We found that the MeO-2PACz interlayer improves the quality of the perovskite film due to an enlarged domain size, reduced charge recombination at the sp-NiO /perovskite interface, and passivation of the defects in sp-NiO surfaces. In addition, the band tail states are also reduced, as indicated by photothermal deflection spectroscopy, which thus indicates a reduction in defect levels. The overall outcome is an improvement in the device efficiency from 11.9% to 17.2% due to the modified sp-NiO /perovskite interface, with an active area of 1 cm² (certified efficiency of 16.25%). On the basis of these results, the interfacial engineering of the electronic properties of sp-NiO /MeO-2PACz/perovskite is discussed in relation to the improved device performance.