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MoSe2-VSe2-NbSe2 Ternary Alloy Nanosheets to Boost Electrocatalytic Hydrogen Evolution Reaction

Authors
Kwon, Ik SeonKwak, In HyeZewdie, Getasew MulualemLee, Seung JaeKim, Ju YeonYoo, Seung JoKim, Jin-GyuPark, JeungheeKang, Hong Seok
Issue Date
Oct-2022
Publisher
WILEY-V C H VERLAG GMBH
Keywords
(MoVNb)Se; (2); hydrogen evolution reaction; spin-polarized density functional theory; ternary alloys; transition metal dichalcogenides
Citation
ADVANCED MATERIALS, v.34, no.41
Indexed
SCIE
SCOPUS
Journal Title
ADVANCED MATERIALS
Volume
34
Number
41
URI
https://scholar.korea.ac.kr/handle/2021.sw.korea/145713
DOI
10.1002/adma.202205524
ISSN
0935-9648
1521-4095
Abstract
Alloying of transition metal dichalcogenides (TMDs) is a pioneering method for engineering electronic structures with expanded applications. In this study, MoSe2-VSe2-NbSe2 ternary alloy nanosheets are synthesized via a colloidal reaction. The composition is successfully tuned over a wide range to adjust the 2H-1T phase transition. The alloy nanosheets consist of miscible atomic structures at all compositions, which is distinct from immiscible binary alloys. Compared to each binary alloy, the ternary alloys display higher electrocatalytic activity toward the hydrogen evolution reaction (HER) in an acidic electrolyte. The HER performance exhibits a volcano-type composition dependence, which is correlated with the experimental d-band center (epsilon(d)). Spin-polarized density functional theory (DFT) calculations consistently predict the homogenous atomic distributions. The Gibbs free energy of H adsorption (Delta G(H*)) and the activation barrier (E-a) support that miscible ternary alloying greatly enhances the HER performance.
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