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Sulfur vacancy-decorated iron-doped nickel based sulfide nanoparticles: Electronic structure modulation for exceptional oxygen evolution performance in alkaline water/seawater
Shaohua Yang, Yueyang Wang, Yaqiong Gong*, Na Wang*
https://doi.org/10.1016/j.cjsc.2026.101105
Fe-doping; S-vacancies; Alkaline water/seawater electrolysis; Oxygen evolution reaction
ABSTRACT
Exploring high-performance, earth-abundant and stable electrocatalysts for the oxygen evolution reaction (OER) is critical and urgent. Herein, the synergistic regulation strategy combining Iron (Fe) doping and sulfur (S) vacancy engineering to fabricate advanced nickel sulfide nanoparticle electrocatalysts (NiFe-S) for efficient OER are reported. The NiFe-S exhibited low overpotentials of 192, 205 and 223 mV at 10, 20 and 50 mA cm-2, respectively, and maintained operational stability for 45 h under the current densitiy of 10 mA cm-2 in alkaline solution. Furthermore, the NiFe-S electrode also displayed impressive OER activity in natural seawater, with overpotentials of 232, 281 and 316 mV under 10, 50 and 100 mA cm-2. This dual-modification approach optimized the electronic structure of nickel sulfide, enhanced the adsorption of reaction intermediates, and accelerated interfacial charge transfer kinetics. Benefiting from the cooperative effect of Fe doping and S vacancies, the as-synthesized NiFe-S exhibited exceptional OER activity and outstanding long-term durability. Density functional theory (DFT) calculations further illustrated that the co-introduction of Fe-doping and S-vacancies optimized the adsorption-desorption behavior of the OER rate-determining step, thus reducing the reaction energy barrier and accelerating the OER process. This work verified the synergistic catalytic effect of Fe-doping and S-vacancies, thus holding great promise for high-performance electrocatalysts in industrial water and alkaline seawater splitting.
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CN 35–1112/TQ, ISSN 0254–5861, Online ISSN: 2949-768X Copyright @ 2022 Chinese Journal of Structural Chemistry-www.Chinese Journal of Structural Chemistry.net. All Rights Reserved 闽ICP备2022002645号-1