Incorporation of Nickel Ions to Enhance Integrity and Stability of Perovskite Crystal Lattice for High-Performance Planar Heterojunction Solar Cells

Enhancement of integrity and stability of crystal lattice are highly challenging for polycrystalline perovskite films. In this work, a strategy of incorporation of nickel (Ni) ions is presented to modulate the crystal structure of the CH₃NH₃PbI₃ perovskite film. A broad range of experimental characterizations reveal that the incorporation of Ni ions can substantially eliminate the intrinsic halide vacancy defects, since Ni ions have a strong preference for octahedral coordination with halide ions, resulting in significantly improved integrity and short-range order of crystal lattice. Moreover, it is also demonstrated that the stronger chemical bonding interaction between Ni ions and halide ions as well as organic group can improve the stability of the perovskite material. Simultaneously, the surface morphology of the perovskite thin film is also improved by the incorporation of nickel ions. As a result, a planar heterojunction perovskite solar cell incorporated with 1.5% Ni exhibits a power conversion efficiency of 18.82%, which is improved by 25% compared with 14.92% for the pristine device. Simultaneously, the device formed incorpration of 1.5% Ni shows remarkable stability with 90% of the initial efficiency after storage in an air environment for 800 h. The studies provide a new insight into metal-incorporated perovskite materials for various optoelectronic applications.