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The incorporation of Bi into NiSe nanospheres accelerates Tafel recombination; enabling highly efficient water splitting
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Z
张
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DOI：10.1039/D5CY00649J.png)
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Abstract
En 中文
In this study; a one-step co-electrodeposition method was employed to successfully introduce Bi into the NiSe system; resulting in the synthesis of a Ni₃Bi₂Se₂ bifunctional catalyst with an amorphous wrinkled nanosphere structure. This catalyst demonstrates exceptional electrocatalytic activity for both the hydrogen evolution reaction (HER) and the oxygen evolution reaction (OER); requiring low overpotentials of only 33 mV and 277 mV; respectively; at a current density of 10 mA/cm²; along with remarkable stability over 120 hours. In alkaline electrolyte; the overall water splitting reaction driven by this catalyst achieves a current density of 10 mA/cm² at a low cell voltage of 1.64 V. Theoretical calculations reveal that the incorporation of Bi significantly optimizes the Gibbs free energy (ΔG) of adsorption for H₂O molecules and reaction intermediates on the active sites of the metal selenide. Specifically; for HER; the introduction of Bi brings the ΔG(H*) on Se sites close to zero; aligning with the Sabatier principle; for OER; Bi doping effectively reduces the energy barrier of the rate-determining step (*O + OH⁻ → *OOH + e⁻); thereby accelerating the reaction kinetics. This study demonstrates that the doping strategy significantly enhances the electrochemical performance of transition metal compounds; providing new theoretical insights and practical approaches for designing highly efficient water-splitting catalysts.
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