Regulating Crystallization and Lead Leakage of Perovskite Solar Cell Via Novel Polyoxometalate‐Based Metal–Organic Framework

Despite the unprecedented progress in lead-based perovskite solar cells (PSCs), the toxicity and leakage of lead from degraded PSCs triggered by deep-level defects and poor crystallization quality increase environmental risk and become a critical challenge for eco-friendly PSCs. Here, a novel 2D polyoxometalate (POM)-based metal-organic framework (MOF) (C5 NH5 )4 (C3 N2 H5 )2 Zn3 (H8 P4 Mo6 O31 )2 ·2H2 O (POMOF) is ingeniously devised to address these issues. Note that the integration of POM endows POMOF with great advantages of electrical conductivity and charge mobility. Ordered POMOF induces the crystallization of high-quality perovskite film and eliminates lead-based defects to improve internal stability. The resultant PSCs achieve a superior power conversion efficiency (23.3%) accompanied by improved stability that maintains ≈90% of its original efficiency after 1600 h. Meanwhile, POMOF with phosphate groups effectively prevents lead leakage through in situ chemical anchoring and adsorption methods to reduce environmental risk. This work provides an effective strategy to minimize lead-based defects and leakage in sustainable PSCs through multi-functional POM-based MOF material.