Metal oxyhydroxides produced by the surface reconstruction were widely considered as active catalytic species in the oxygen evolution reaction (OER). However, simultaneous activation of metal sites in surface oxyhydroxides remains a great challenge. In this study, the interface self-activation strategy was utilized to simultaneously activate both the iron and nickel sites at the surface oxyhydroxides of (Fe,Ni)OOH-NiSe nano heterostructure. The OER activity was greatly boosted by the dual activation of active sites, resulting in an overpotential of 245 mV@100 mA cm with a small Tafel slope of 44 mV dec. The finely constructed FeOOH-NiSe heterostructure was transformed into (Fe,Ni)OOH-NiSe through the formation of distinct bonds of M(Fe,Ni)-O-Se during the OER process, which was discovered through a combination of experimental studies with DFT calculations. A fast OER reaction dynamic was achieved due to the unique self-optimized interface structure which produced a dual synergistic effect between the interface structure and the active sites of Fe and Ni of oxyhydroxides, modulated the electronic structure and d band center of active sites, and increased the number of optimum active sites. This work paves a way to design high-performance electrocatalysts with multiple active sites for other electrochemical reactions.

中文翻译：

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通过自优化界面工程同时激活表面羟基氧化物双位点的高性能析氧反应

表面重构产生的金属羟基氧化物被广泛认为是析氧反应（OER）中的活性催化物质。然而，表面羟基氧化物中金属位点的同时活化仍然是一个巨大的挑战。在本研究中，利用界面自激活策略同时激活(Fe,Ni)OOH-NiSe纳米异质结构表面羟基氧化物上的铁和镍位点。活性位点的双重激活大大提高了 OER 活性，导致 100 mA cm 时的过电势为 245 mV，塔菲尔斜率为 44 mV dec。通过在 OER 过程中形成不同的 M(Fe,Ni)-O-Se 键，精细构建的 FeOOH-NiSe 异质结构转变为 (Fe,Ni)OOH-NiSe，这是通过实验研究与DFT 计算。由于独特的自优化界面结构实现了快速的OER反应动力学，该界面结构与羟基氧化物的Fe和Ni活性位点之间产生双重协同效应，调制了活性位点的电子结构和d带中心，并且增加了最佳活性位点的数量。这项工作为设计具有多个活性位点的用于其他电化学反应的高性能电催化剂铺平了道路。