Composition-Tuned (MoWV)Se<sub>2</sub> Ternary Alloy Nanosheets as Excellent Hydrogen Evolution Reaction Electrocatalysts.

Kwon, Ik Seon; Lee, Seung Jae; Kim, Ju Yeon; Kwak, In Hye; Zewdie, Getasew Mulualem; Yoo, Seung Jo; Kim, Jin-Gyu; Lee, Kug-Seung et al. · ACS Nano · 2023

basic_science · Level V

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Abstract

Ternary alloying of transition metal dichalcogenides (TMDs) has the potential for altering the electronic structure of materials to suit electrochemical applications. Herein, we synthesized (MoWV)Se<sub>2</sub> nanosheets at various compositions <i>via</i> a colloidal reaction. The mole fraction of V atoms (<i>x</i><sub>V</sub>) was successfully increased up to 0.8, producing a metallic phase that is highly durable against hydration. Furthermore, we synthesized (MoW)Se<sub>2</sub> nanosheets over the entire composition range. The atomic mixing of the ternary alloys is more random than that of the constitutional binary alloys, as supported by first-principles calculations. Compared to binary alloying, ternary alloying more effectively enhanced the electrocatalytic activity for acidic hydrogen evolution reaction (HER). The HER performance increased upon increasing <i>x</i><sub>V</sub> to 0.44, and thereafter, it declined at higher <i>x</i><sub>V</sub> primarily owing to surface oxidation. The analysis of Gibbs free energy for H adsorption revealed that ternary alloying strongly activates the basal plane for the HER. VSe<sub>2</sub> contains numerous sites favorable for H adsorption, facilitating the composition-dependent HER. These results provide a pioneering strategy for designing multicomponent TMD catalysts that maximize the advantages of each component.