Vacancy defect modulation in hot-casted NiOx film for efficient inverted planar perovskite solar cells

Nickel oxide (NiO x ) has exhibited great potential as an inorganic hole transport layer (HTL) in perovskite solar cells (PSCs) due to its wide optical bandgap and superior stability. In this study, we have modulated the Ni 2+ vacancies in NiO x film by controlling deposition temperature in a hot-casting process, resulting the change of coordination structure and charge state of NiO x . Moreover, the change of the HOMO level of NiO x makes it more compatible with perovskite to decrease energy losses and enhance hole carrier injection efficiency . Besides, the defect modulation in the electronic structure of NiO x is beneficial for increasing the electrical conductivity and mobility, which are considered to achieve the balance of charge carrier transport and avoid charge accumulation at the interface between perovskite and HTL effectively. Both experimental analyses and theoretical calculations reveal the increase of nickel vacancy defects change the electronic structure of NiO x by increasing the ratio of Ni 3+ /Ni 2+ and improving the p-type characteristics. Accordingly, an optimal deposition temperature at 120 °C enabled a 36.24% improvement in the power conversion efficiency compared to that deposited at room temperature (25 °C). Therefore, this work provides a facile method to manipulate the electronic structure of NiO x to improve the charge carrier transport and photovoltaic performance of related PSCs.