Metal-halide perovskites possess great potential for electrochemical water splitting that has not been realized due to their intolerance to water. Here, methylammonium lead halide perovskites (MAPbX₃) are used to electrocatalyze water oxidation in aqueous electrolytes by creating MAPbX₃@AlPO-5 host–guest composites. Due to the protective feature of the zeolite matrix, halide perovskite nanocrystals (NCs) confined in aluminophosphate AlPO-5 zeolites achieve an excellent stability in water. The resultant electrocatalyst undergoes dynamic surface restructuring during the oxygen evolution reaction (OER) with the formation of an edge-sharing α-PbO₂ active layer. The existence of charge-transfer interactions at the MAPbX₃/α-PbO₂ interface significantly modulates the surface electron density of the α-PbO₂ and optimizes the adsorption free energy of oxygen-containing intermediate species. Furthermore, the soft-lattice nature of halide perovskites enables more facile triggering of lattice-oxygen oxidation of nanostructured α-PbO₂, exhibiting pH-dependent OER activity and non-concerted proton-electron transfer for MAPbX₃@AlPO-5 composite. As a result, the developed MAPbBr₃@AlPO-5 composite manifests an ultralow overpotential of 233 mV at 10 mA cm⁻² in 1 m KOH. These findings offer facile access to halide perovskite applied to water electrolysis with enhanced intrinsic activity, providing a new paradigm for designing high-efficiency OER electrocatalysts.

中文翻译：

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沸石封装卤化物钙钛矿的表面重构激活晶格氧氧化用于水电解

金属卤化物钙钛矿具有巨大的电化学分解水潜力，但由于其不耐水而尚未实现。在这里，甲基铵卤化铅钙钛矿 (MAPbX ₃ ) 通过创建 MAPbX ₃ @AlPO-5 主客体复合材料来电催化水性电解质中的水氧化。由于沸石基质的保护特性，限制在磷酸铝AlPO-5沸石中的卤化物钙钛矿纳米晶体（NC）在水中具有优异的稳定性。所得电催化剂在析氧反应（OER）过程中经历动态表面重组，形成边缘共享的α -PbO ₂活性层。_{MAPbX 3} / α -PbO ₂界面处电荷转移相互作用的存在显着调节了α -PbO ₂的表面电子密度并优化了含氧中间体的吸附自由能。此外，卤化物钙钛矿的软晶格性质使得能够更容易地触发纳米结构α -PbO _{2的晶格氧氧化，表现出pH依赖性OER活性和MAPbX 3} @AlPO-5复合材料的非协同质子电子转移。因此，所开发的 MAPbBr ₃ @AlPO-5 复合材料在 1  m KOH中在 10 mA cm ^-2下表现出 233 mV 的超低过电势。这些发现为卤化物钙钛矿的获得提供了便利，该卤化物钙钛矿应用于水电解并具有增强的内在活性，为设计高效OER电催化剂提供了新的范例。