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Asymmetric tacticity navigates the localized metal spin state for sustainable alkaline/sea water oxidation

Yaoda Liu, Lei Li, Xuning Li, Yifan Xu, Dongshuang Wu, Thangavel Sakthivel, Zhi‐Xin Guo, Xiaoxu Zhao, Zhengfei Dai

2025Science Advances53 citationsDOIOpen Access PDF

Abstract

Anodic oxygen evolution reaction (OER) that involves a spin-dependent singlet-to-triplet oxygen changeover largely restrains the water electrolysis efficiency for hydrogen production. However, the modulation of spin state is still challengeable for most OER catalysts, and there remains a debate on deciphering the active spin state in OER. Here, we pioneered an asymmetric Fe-incorporated NiPS 3 tactic system to retune the metal localized spin for efficient OER electrocatalysis. It is unraveled that the synergistic effect of medium-spin Fe III site and P/S coordination can effectively boost OER activity and Cl resistance selectivity in alkaline/sea water. Resultantly, the Fe/NiPS 3 -based asymmetric electrodes exhibit low cell voltages of 1.50 volts/1.52 volts in alkaline/sea water at 10 milliamperes per square centimeter, together with a sustainable retention for 1000 hours. It also delivers the durable performance in anion exchange membrane water electrolyzers with a low operation voltage at 45°C. This research navigates the atomic localized spin state as the criterion in rationalizing efficient nonprecious alkaline/sea water oxidation electrocatalysts.

Topics & Concepts

Oxygen evolutionElectrocatalystWater splittingElectrolysis of waterElectrolysisChemistryCatalysisMaterials scienceInorganic chemistryChemical engineeringElectrodeElectrochemistryPhotocatalysisPhysical chemistryOrganic chemistryEngineeringElectrolyteElectrocatalysts for Energy ConversionAdvanced battery technologies researchFuel Cells and Related Materials