The intrinsic activity and durability of oxygen evolution reaction (OER) electrocatalysts are mainly dominated by the surface and interface properties of active materials. Herein, a core-shell heterogeneous structure (NF/NiSe@Fe₂O₃) is fabricated via two-step hydrothermal method, which exhibits a low overpotential of 220 mV (or 282 mV) at 10 mA/cm² (or 200 mA/cm²), a small Tafel slope of 36.9 mV/dec, and long-term stability (~230 h) in 1 mol/L KOH for OER. X-ray photoelectron spectroscopy and X-ray absorption spectroscopy reveal the (oxy)hydroxide-rich surface and strong coupling interface between NiSe and Fe₂O₃ via the Fe-Se bond. Density functional theory calculation suggests that the d-band center and electronic state of NiSe@Fe₂O₃ heterojunction are well optimized due to the formation of Fe-Se bond, which is favorable for the enhanced OER activity because of the easy adsorption of oxygen-containing intermediates and desorption of O₂ in the OER process. In addition, the unique core-shell structure and robust bonding interface are responsible for the good stability for OER. This work provides fundamental insights on the bonding effect that determine the performance of OER electrocatalyst.

析氧反应（OER）电催化剂的本征活性和耐久性主要由活性材料的表面和界面性质决定。在此，通过两步水热法制备了核壳异质结构（NF/NiSe@Fe ₂ O _{3 ），在 10 mA/cm} ²（或 200 mA ）下表现出 220 mV（或 282 mV）的低过电位/cm ²），36.9 mV/dec 的小 Tafel 斜率，以及在 1 mol/L KOH 中用于 OER 的长期稳定性（~230 小时）。X 射线光电子能谱和 X 射线吸收光谱揭示了富含（氧）氢氧化物的表面和 NiSe 与 Fe ₂ O _{3之间的强耦合界面}通过 Fe-Se 键。密度泛函理论计算表明，由于Fe-Se键的形成，NiSe@Fe ₂ O ₃异质结的d带中心和电子态得到了很好的优化，由于氧气容易吸附，有利于提高OER活性- 含中间体和OER 过程中 O _{2的解吸。}此外，独特的核壳结构和坚固的键合界面是OER良好稳定性的原因。这项工作提供了关于决定 OER 电催化剂性能的键合效应的基本见解。