析氧
过电位
催化作用
八面体
氧化物
化学物理
路径(计算)
电化学
化学
材料科学
工作(物理)
电催化剂
氧气
机制(生物学)
过渡金属
纳米技术
反应机理
结构稳定性
理论(学习稳定性)
化学稳定性
降级(电信)
曲面重建
电流(流体)
过渡状态
结晶学
动能
动力学
氧化还原
化学工程
时间演化
拓扑(电路)
作者
Guiren Xu,Lan Yang,Guoyu Huang,Tao Gan,Yuannan Wang,Ruyue Wang,Yinghuan Liu,Tianxu Jin,Wentong Wu,Lu Yue,Cheng Tang,Zhanfeng Deng
标识
DOI:10.1002/anie.202520553
摘要
Understanding dynamic structure-activity relationships in the oxygen evolution reaction (OER) remains challenging due to electrocatalysts' structural complexity. Here, we employ Ca2IrO4-a model catalyst with exclusively edge-sharing IrO6 octahedra forming 1D chains-to decode mechanistic evolution through synergistic interplay between corrosion-resistant (110) and electrochemically activable (001) facets. With low (110) and (001) facet ratios, Ca2IrO4 (L-H-CIO) undergoes electrochemical activation to form an adaptively reconstructed structure, ultimately achieving exceptional OER performance-demonstrating a low overpotential of 279 mV at 10 mA cm-2 and 200-h stability without decay. The L-H-CIO-based PEMWE exhibits high electrocatalytic activity (1.78 V @ 2.0 A cm-2, 80 °C, 0.11 mgIr cm-2) at ampere-level current densities while demonstrating sustained stability beyond 500 h at 1.0 A cm-2. In situ characterization and theoretical calculations reveal that adaptive surface reconstruction drives a mechanistic transition from the adsorbate evolution mechanism (AEM) to the oxide path mechanism (OPM). This shift is structurally anchored by edge-sharing IrO6 octahedra reconstruction (Ir-Ir 2.8 Å) of the (001) surface, which simultaneously downshifts the Ir d-band center away from the Fermi level. The resultant weakened metal-intermediate covalency optimizes the adsorption-desorption equilibrium, conferring thermodynamic and kinetic advantages to OPM. Our work establishes adaptive coordination reconstruction as a universal strategy to engineer pre-catalysts that evolve into high-efficiency OER phases, providing a roadmap for next-generation catalyst design.
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