Publication date: 15th December 2025
All-inorganic CsPbI3 perovskite nanocrystals are promising emitters for next-generation light-emitting diodes (LEDs), displays, and other optoelectronic applications due to their narrow emission bandwidths, high color purity, and bandgap tunability. However, the mechanistic role of synthetic additives in directing nucleation, growth, surface chemistry, and long-term stability remains insufficiently understood, limiting predictive control over material and device performance.
Here, we systematically investigate the hot-injection colloidal synthesis of CsPbI₃ nanocrystals with controlled variation of zinc iodide (ZnI₂) as both a halide source and divalent cation additive. Modulating the ZnI₂ concentration induces pronounced changes in photoluminescence (PL) characteristics, including spectral shifts, variations in photoluminescence quantum yield (PLQY), and changes in excited-state lifetimes. These observations indicate that ZnI₂ alters the nanocrystal electronic structure, likely through compositional tuning, surface passivation effects, or modified defect densities. Notably, while all samples remain structurally stable under ambient air and moisture exposure for at least six months, their PL response remains strongly dependent on ZnI₂ loading, highlighting the persistent influence of additive concentration on emissive properties. Transmission electron microscopy (TEM) reveals systematic differences in nanocrystal size and size distribution as a function of ZnI₂ content, suggesting that the additive plays a critical role in governing precursor reactivity, dynamics, and growth kinetics. LEDs fabricated from these nanocrystals exhibit distinct electroluminescence characteristics and performance metrics depending on ZnI₂ concentration, underscoring the tight coupling between synthetic parameters, nanoscale structure, and device-level behavior.
Overall, this work emphasizes the urgent need for deeper mechanistic insight into additive–nanocrystal interactions during perovskite synthesis, particularly regarding how such interactions dictate structural evolution, surface chemistry, defect passivation, stability, and device-relevant optoelectronic properties.
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