Exploring economical, efficient, and stable electrocatalysts for the seawater hydrogen evolution reaction (HER) is highly desirable but challenging. In this study, Mo cations dopping Ni0.85Se/MoSe2 heterostructural electrocatalyst, Mox-Ni0.85Se/MoSe2, was successfully prepared by simultaneously doping Mo cations into Ni0.85Se lattice (Mox-Ni0.85Se) and epitaxially growing atomic MoSe2 nanosheets at the edge of Mox-Ni0.85Se. Such Mox-Ni0.85Se/MoSe2 catalyst requires only 110 mV to drive current densities of 10 mA/cm2 in alkaline simulated seawater and shows almost no obvious degradation after 80 hours at 20 mA/cm2. Experimental results, combined with the density functional theory calculation, reveal that the Mox-Ni0.85Se/MoSe2 heterostructure will generate an interfacial electric field to facilitate the electron transfer, thus reducing the water dissociation barrier. Significantly, the heteroatomic Mo-doping in Ni0.85Se can regulate the local electronic configuration of Mox-Ni0.85Se/MoSe2 heterostructure catalyst by altering the coordination environment and orbital hybridization, thereby weakening the bonding interaction between Cl and Se/Mo. This synergistic effect for Mox-Ni0.85Se/MoSe2 heterostructure will simultaneously enhance the catalytic activity and durability without the poisoning and corrosion of chloride ions.

This article is Open Access

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