Quantum confinement-driven catalysis in perovskite quantum dots for next-generation lithium batteries: mechanistic insights and sustainable pathways

Quantum confinement profoundly influences the catalytic and electronic behavior of perovskite quantum dots (PQDs), opening new frontiers for advanced lithium-based energy storage. This review systematically explores how size-dependent d-band modulation, defect-induced mid-gap states, and built-in electric fields govern the catalytic efficiency, charge transfer, and ion dynamics within PQD interfaces. By integrating density functional theory (DFT) insights with recent experimental findings, it elucidates confinement-driven mechanisms that enhance polysulfide conversion, suppress dendrite growth, and improve the exciton-to-charge conversion efficiency. As the first comprehensive study focusing on quantum confinement-induced catalysis of PQDs in lithium battery systems, this work bridges fundamental physics with electrochemical functionality. Emerging directions – including photocatalytic lithium‒sulfur (Li‒S) batteries, high-entropy electrolytes, and sustainable Pb recycling – have been critically evaluated in terms of performance and environmental impact. Finally, challenges in stability, toxicity, and scalability are discussed, with perspectives on AI-guided predictive design toward multifunctional, sustainable PQD-based energy devices.