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Oxygen evolution reaction (OER) in pH-neutral electrolyte is considered more difficult for the additional adsorption and the dissociation process of H 2 O. Herein, by in-suit construction of the heterostructure between MgO and NiCo 2 S 4 on carbon cloth (CC), a novel MgO/NiCo 2 S 4 heterostructure on CC (MgO/NCS-CC) is successfully fabricated. Benefitting from the optimized electronic structure attributed to the construction of hetero-interface, and the intense adsorption of H 2 O on the surface of catalysts owing to the introduction of hydration-effect-promoting (HEP) element Mg, the MgO/NCS-CC exhibits outstanding OER activity with overpotential of 145 mV at the current density of 10 mA·cm−2 in pH-neutral electrolyte and can maintain stability over 40 h. Density-functional theory (DFT) also demonstrates that the MgO/NiCo 2 S 4 heterostructure can effectively adjust the electronic structure and enhance the adsorption of reactant, thus further optimizing Gibbs free energies and improving the activity for OER in pH-neutral electrolyte. [Display omitted] • The hydration-enhancing-effect element Mg effectively enhanced the adsorption of H 2 O on the surface of catalyst. • The unique electronic structure of the heterostructure is the intrinsic reason for the super OER performance. • The catalyst shows outstanding OER performances and excellent stability in pH-neutral condition. • DFT calculation further reveals the change of electronic structure and the enhancement of water adsorption of the catalyst. [ABSTRACT FROM AUTHOR]