CsPbI3 Perovskites at the Edge of Commercialization: Persistent Barriers, Multidisciplinary Solutions, and the Emerging Role of AI

摘要

All-inorganic cesium lead iodide (CsPbI3) has been investigated for more than a decade as an absorber for perovskite photovoltaics thanks to its attractive bandgap, thermal robustness compared with hybrid perovskites, and compatibility with tandem concepts. Yet, despite remarkable efficiency progress, CsPbI3 remains far from widespread commercialization. The core roadblock is the metastability of the photoactive black perovskite phases (α/γ/β) against transformation to the photoinactive yellow δ-phase under realistic conditions, amplified by defect chemistry, ion migration, and interfacial reactions. Additional barriers arise from scale-up constraints (film uniformity, throughput, solvent management), long-term operational stability (humidity, heat, UV, bias), and environmental/safety requirements, especially lead containment, sequestration, and end-of-life strategies. This review critically analyzes the intertwined physical, chemical, and engineering factors that still limit CsPbI3 deployment, with emphasis on how solutions in one domain can fail without co-design in others. This review summarizes state-of-the-art stabilization strategies (size/strain engineering, additive/doping routes, surface/interface passivation, and encapsulation), highlight scalable manufacturing pathways including solvent-minimized and vacuum-assisted approaches, and discuss lead-mitigation technologies such as Pb-adsorbing functional layers. Finally, I argue that artificial intelligence (AI)—from machine-learning stability models to process monitoring, robotic optimization, and digital twins—has become essential to navigate the enormous parameter space of CsPbI3 materials and manufacturing. It concludes with actionable recommendations and future directions toward bankable, scalable, and sustainable CsPbI3 photovoltaics.