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Developing economical and efficient electrocatalysts is critical for hydrogen energy industrialization through water electrolysis. Herein, a novel dual-site synergistic NiFe/Y 2 O 3 hybrid with abundant interfacial Ni/Fe─O─Y bonds is designed by density functional theory (DFT) simulations. In situ Raman spectra combined with DFT calculations reveal that the interfacial Ni/Fe─O─Y units greatly promote H 2 O dissociation and optimize the adsorption of both H* and oxygen species, achieving excellent activity and durability for hydrogen evolution reaction. As expected, NiFe/Y 2 O 3 exhibits a low overpotential of 27 mV at 10 mA cm -2 and robust stability of over 200 h at 1000 mA cm -2 , and also outstanding water splitting performance with a low cell voltage of 1.64 V at 100 mA cm -2 , showing significant potential for real-world applications., (© 2024 Wiley‐VCH GmbH.)