Room temperature phase instability of cubic CsPbI₃ perovskite nanocrystals is one of the notorious limitations for practical applications in optoelectronic fields. Herein, the incorporation of Ni²⁺ ions into CsPbI₃ lattice was successfully achieved by a modified hot-injection method using nickel acetate as doping precursor. The as-prepared Ni²⁺ (3.3 mol%): CsPbI₃ nanocrystals exhibited an improved, near-unity (95%∼100%) photoluminescence quantum yield owing to the enhanced radiative decay rate and the decreased non-radiative decay rate. Additionally, Ni-doping was demonstrated to stabilize CsPbI₃ lattice and the Ni²⁺: CsPbI₃ film and colloidal solution can retain their red luminescence up to 15 days and 7 months in atmosphere, respectively. First-principle calculations verified that the significantly improved optical performance and stability of Ni²⁺: CsPbI₃ nanocrystals arose primarily from the increased formation energy due to the successful doping of Ni²⁺ in CsPbI₃. Benefiting from such an effective doping strategy, the as-prepared Ni²⁺-doped CsPbI₃ perovskite nanocrystals can function well as efficient red-light emitter toward the fabrication of high-performance perovskite LED with a peak external quantum efficiency of ∼7%.

立方CsPbI ₃钙钛矿纳米晶体的室温相不稳定性是光电子领域实际应用中臭名昭著的局限之一。在此，通过使用乙酸镍作为掺杂前体的改进的热注入方法成功地实现了将Ni ²⁺离子结合到CsPbI ₃晶格中。制备好的Ni ²⁺（3.3 mol％）：CsPbI ₃纳米晶体由于提高了辐射衰减率而降低了非辐射衰减率，因此具有改善的近统一（95％〜100％）的光致发光量子产率。另外，证实了Ni掺杂稳定了CsPbI ₃晶格和Ni ²⁺：CsPbI ₃薄膜和胶体溶液可以在大气中分别保持长达15天和7个月的红色发光。第一性原理计算证实，Ni ²⁺：CsPbI ₃纳米晶体的光学性能和稳定性有了显着提高，这主要是由于成功地将C ₂ PbI ₃掺杂了Ni ²⁺导致形成能增加所致。得益于这种有效的掺杂策略，制备的Ni ²⁺掺杂的CsPbI ₃钙钛矿纳米晶体可以作为高效的红光发射器，以制造具有约7％峰值外部量子效率的高性能钙钛矿LED。