Nature Communications · 2022 · 344 citations · 57 references
Natural SciencesChemistryMaterials ScienceCatalysisInorganic ChemistryNanomaterialsCatalyst DesignDensity Functional TheoryMetal OxidesOxygen EvolutionRedox CatalysisRedox-active MaterialsCatalytic ActivityCatalytic Activity EnhancementCurrent DensityMetal Oxidation StatesNickel CatalysisOxygen Evolution CatalystsOxygen Evolution ReactionWater Splitting
Abstract Promoting the formation of high-oxidation-state transition metal species in a hydroxide catalyst may improve its catalytic activity in the oxygen evolution reaction, which remains difficult to achieve with current synthetic strategies. Herein, we present a synthesis of single-layer NiFeB hydroxide nanosheets and demonstrate the efficacy of electron-deficient boron in promoting the formation of high-oxidation-state Ni for improved oxygen evolution activity. Raman spectroscopy, X-ray absorption spectroscopy, and electrochemical analyses show that incorporation of B into a NiFe hydroxide causes a cathodic shift of the Ni 2+ (OH) 2 → Ni 3+δ OOH transition potential. Density functional theory calculations suggest an elevated oxidation state for Ni and decreased energy barriers for the reaction with the NiFeB hydroxide catalyst. Consequently, a current density of 100 mA cm –2 was achieved in 1 M KOH at an overpotential of 252 mV, placing it among the best Ni-based catalysts for this reaction. This work opens new opportunities in electronic engineering of metal hydroxides (or oxides) for efficient oxygen evolution in water-splitting applications.
57
Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16