Kwon Ik Seon, Kwak In Hye, Zewdie Getasew Mulualem, Lee Seung Jae, Kim Ju Yeon, Yoo Seung Jo, Kim Jin-Gyu, Park Jeunghee, Kang Hong Seok
Department of Advanced Materials Chemistry, Korea University, Sejong, 339-700, Republic of Korea.
Institute for Application of Advanced Materials, Jeonju University, Chonju, Chonbuk, 55069, Republic of Korea.
Adv Mater. 2022 Oct;34(41):e2205524. doi: 10.1002/adma.202205524. Epub 2022 Sep 12.
Alloying of transition metal dichalcogenides (TMDs) is a pioneering method for engineering electronic structures with expanded applications. In this study, MoSe -VSe -NbSe 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 (ε ). Spin-polarized density functional theory (DFT) calculations consistently predict the homogenous atomic distributions. The Gibbs free energy of H adsorption (ΔG ) and the activation barrier (E ) support that miscible ternary alloying greatly enhances the HER performance.
过渡金属二硫属化物（TMDs）的合金化是一种用于构建具有广泛应用的电子结构的开创性方法。在本研究中，通过胶体反应合成了MoSe -VSe -NbSe三元合金纳米片。其成分在很宽的范围内成功调节，以调整2H-1T相变。该合金纳米片在所有成分下均由可混溶的原子结构组成，这与不混溶的二元合金不同。与每种二元合金相比，三元合金在酸性电解质中对析氢反应（HER）表现出更高的电催化活性。HER性能呈现出火山型的成分依赖性，这与实验测得的d带中心（ε ）相关。自旋极化密度泛函理论（DFT）计算一致预测了均匀的原子分布。氢吸附的吉布斯自由能（ΔG ）和活化能垒（E ）表明，可混溶的三元合金化极大地提高了HER性能。
