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Rational Design, electrochemical performance and theoretical calculations of rosette-like Co3S4/Ni9S8/MnS2/NF heterostructures for efficient OER and UOR
Jiaxu Fang, Yaqiong Gong*, Na Wang*
https://doi.org/10.1016/j.cjsc.2026.101035
Trimetallic sulfides; Bifunctional electrocatalyst; Synergistic effect; Heterostructure.
ABSTRACT
Transition metal sulfides have emerged as highly competitive candidates for oxygen evolution reaction (OER) catalysis owing to their readily tailorable electronic and electrical configurations. Trimetallic coupling has emerged as an effective strategy to further enhance catalytic kinetics through synergistic electronic modulation. Herein, a hierarchical trimetallic sulfide electrode, Co3S4/Ni9S8/MnS2/NF, was fabricated via a coupled hydrothermal and electrodeposition strategy followed by sulfurization. Co3S4/Ni9S8/MnS2/NF exhibits excellent bifunctional activity towards OER and urea oxidation reaction (UOR), delivering 100 mA cm-2 at 1.492 V OER and 1.25 V for 10 mA cm-2 UOR, along with stable operation for 50 h, which outperform the great majority of sulfide reported catalysts. In-situ Raman spectroscopy indicates Mn species play a very important regulatory function to promote the electrochemical activation and reconstruction process of Ni/Co active sites under anodic polarization. Meanwhile, density functional theory (DFT) calculations further show that the Co species speed up charge transfer kinetics, whereas Ni species dominate the adsorption and conversion of oxygenated intermediates during OER. This trimetallic synergistic effect significantly lowers the energy thresholds and stabilizes the critical reaction intermediates, thereby significantly boosting the electrocatalytic kinetics. This study offers insights for the rational design of advanced trimetallic sulfide electrocatalysts and highlights multimetal coupling as a powerful strategy for high-efficiency alkaline electrocatalysis.
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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