(ReMoV)X2 (X = S, Se) Ternary Alloy Nanosheets for Enhanced Electrocatalytic Hydrogen Evolution Reaction

IF 13 2区材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Small Pub Date : 2025-04-24 DOI:10.1002/smll.202503399

Junaid Ihsan, Ju Yeon Kim, In Hye Kwak, Irtiqa Mishal, Jun Hyeok Choi, Jung Eun Ahn, Sang-Gil Lee, Seung Jo Yoo, Ik Seon Kwon, Jeunghee Park, Hong Seok Kang

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Abstract

Modulating the electronic structure of 2D transition metal dichalcogenides via alloying can extend their potential applications. In this study, composition-tuned ternary alloy nanosheets of (ReMoV)X₂ (X = S and Se) are synthesized using solvothermal and colloidal reactions, respectively. Ternary alloying occurred with homogeneous atomic mixing over a wide range of compositions (x_V = 0.16–0.80). Compared to (ReV)X₂ binary alloying, ternary alloying produces a more metallic phase with less oxidation. Increasing x_V induces a phase change into a more metallic 1T phase. The (ReMoV)S₂ nanosheets demonstrate enhanced electrocatalytic activity toward the acidic hydrogen evolution reaction (HER) compared to (ReV)S₂. Density functional theory calculations predict that ternary alloying increases the metallicity of the nanosheets. In addition, the Gibbs free energy calculation for hydrogen adsorption (ΔG_H*) shows that ternary alloying effectively activates the basal S atoms for the HER, supporting the enhanced catalytic performance observed experimentally.

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增强电催化析氢反应的（ReMoV）X2 （X = S, Se）三元合金纳米片

通过合金化方法调制二维过渡金属二硫族化合物的电子结构可以扩大其潜在的应用范围。在本研究中，分别采用溶剂热反应和胶体反应合成了（ReMoV）X2 （X = S和Se）三元合金纳米片。三元合金化发生在均匀的原子混合中，在广泛的成分范围内（xV = 0.16-0.80）。与（ReV）X2二元合金化相比，三元合金化产生更少氧化的金属相。增加xV诱导相变为更金属化的1T相。与（ReV）S2相比，（ReMoV）S2纳米片对酸性析氢反应（HER）具有更强的电催化活性。密度泛函理论计算预测三元合金化增加了纳米片的金属丰度。此外，氢吸附的吉布斯自由能计算（ΔGH*）表明，三元合金有效地激活了HER的基S原子，支持了实验观察到的增强的催化性能。

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来源期刊

Small 工程技术-材料科学：综合

CiteScore

17.70

自引率

3.80%

发文量

1830

审稿时长

2.1 months

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