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        Theoretical and experimental investigations of Co-Cu bimetallic alloys-incorporated carbon nanowires as an efficient bi-functional electrocatalyst for water splitting

        Zafar Khan Ghouria,Ahmed Badreldin,Khaled Elsaid,Dharmesh Kumar,Karim Youssef,Ahmed Abdel-Wahab 한국공업화학회 2021 Journal of Industrial and Engineering Chemistry Vol.96 No.-

        Application of noble metal-free electrocatalysts for oxygen evolution reaction (OER) and hydrogenevolution reaction (HER) during electrocatalytic water splitting is crucial for clean energy conversion andhas drawn extensive attention. However, the development of highly active and low cost electrocatalysts isa considerable challenge. Herein, Co-Cu alloy nanoparticles-incorporated carbon nanowires electrocatalystwas synthesized and evaluated for both OER and HER. The nanomaterials were fabricated byfacile electrospinning of sol-gel composed of cobalt acetate, copper acetate, and poly(vinyl alcohol)followed by calcination in an inert environment. Adjusting the composition of the metallic counterpartwas found to significantly enhance electrochemical properties of the catalyst. Furthermore, the uniquenanowire morphology and structural properties of incorporated Co-Cu alloy, the (Co0.95Cu0.05@CNWs)composition exhibits good electrocatalytic performance for both OER and HER in the alkaline medium. Physicochemical characterizations using X-ray diffraction, X-ray photoelectron spectroscope, scanningelectron microscopy, and transmission electron microscopy have confirmed the formation of alloystructure and nanowire morphology. The optimum composition (Co0.95Cu0.05@CNWs) requires smalloverpotential, ɳ10 of285 mV for oxygen evolution reaction (OER) and160 mV for hydrogen evolutionreaction (HER) with the corresponding Tafel slope of 92 mV dec 1 and 172 mV dec 1 versus the reversiblehydrogen electrode, respectively. In addition, only negligible loss in activity was observed after 1000cycles and prodeces cell voltage of 1.58 V at current of 10 mA/cm2 and 1.72 V at current density of 50 mA/cm2 in two electrode system. Density Functional Theory (DFT) calculations were employed to verifyexperimental results. Electronic density of states (DOS) results reveal an increase in electronic states nearthe Fermi level upon Co-Cu heterojunctioning with CNWs. This is indicative of improved catalytic activityand more favorable binding energies of HER and OER intermediates. Reaction coordinate diagrams forHER and OER were developed, which aided in identifying thermodynamically limiting steps. This workmay provide a feasible approach for incorporating other transition metals to design low-cost and highperformancebifunctional electrocatalysts for overall water splitting.

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