Rich lattice defects Ni-MoO2/NiMoO4-x bifunctional catalyst for efficient and stable seawater electrolysis hydrogen production

doi:10.1016/j.jmst.2025.02.042

Abstract

Abstract: Defect engineering and interface engineering exhibit remarkable potential in the quest for efficient and stable bifunctional catalysts for the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER). Herein, we innovatively designed a Ni-MoO₂/NiMoO_4-_x heterojunction electrocatalyst enriched with lattice defects using a novel thermal reduction strategy. For this catalyst, the strain effect induced by the lattice defects optimizes the electronic structure, while the heterogeneous interface significantly accelerates the electron transport efficiency, thereby substantially enhancing catalytic activity and promoting reaction kinetics. Using advanced spherical aberration-corrected transmission electron microscopy (AC-TEM) combined with geometric phase analysis (GPA) simulations, we directly visualized and confirmed the presence of strain effects and heterostructures, which are pivotal factors in improving catalytic performance. In an alkaline seawater environment, the Ni-MoO₂/NiMoO_4-_x catalyst exhibited exceptional performance with the HER overpotential as low as 27 mV and the OER overpotential of 216 mV at a current density of 10 mA cm^-2. Furthermore, in a membrane electrode assembly (MEA) electrolyzer, the heterojunction catalyst can drive a current density of 147 mA cm^-2 at a voltage of only 1.82 V, and maintain stable operation for over 100 h without degradation. In-depth theoretical simulations and experimental analyses revealed that the enriched Ni defect sites optimized the adsorption energy of hydrogen and oxygen intermediates, thereby boosting the catalytic efficiency for both HER and OER. This study not only pioneers a new approach to optimizing the performance of transition metal oxide catalysts but also provides robust theoretical support and experimental foundations for the practical application of hydrogen production technology through electrolytic water splitting in the future.

Key words: Defect engineering, Hydrogen evolution reaction, Bifunctional catalysts, Seawater electrolysis, Transition metal oxide

Wenbo Cui, Peng Wang, Xuehao Li, Wenpeng Han, Yong Wan, Jun Zhang, Xin Ning, Mang Niu, Jie Zheng, Yun-Ze Long. Rich lattice defects Ni-MoO₂/NiMoO_4-_x bifunctional catalyst for efficient and stable seawater electrolysis hydrogen production[J]. J. Mater. Sci. Technol., 2025, 235: 222-231.

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Rich lattice defects Ni-MoO₂/NiMoO_4-_x bifunctional catalyst for efficient and stable seawater electrolysis hydrogen production

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