Ihsan Junaid, Kim Ju Yeon, Kwak In Hye, Mishal Irtiqa, Choi Jun Hyeok, Ahn Jung Eun, Lee Sang-Gil, Yoo Seung Jo, Kwon Ik Seon, Park Jeunghee, Kang Hong Seok
Department of Advanced Materials Chemistry, Korea University, Sejong, 339-700, Republic of Korea.
Research Center for Materials Analysis, Korea Basic Science Institute, Daejeon, 305-806, Republic of Korea.
Small. 2025 Jun;21(24):e2503399. doi: 10.1002/smll.202503399. Epub 2025 Apr 24.
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)X (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 = 0.16-0.80). Compared to (ReV)X binary alloying, ternary alloying produces a more metallic phase with less oxidation. Increasing x induces a phase change into a more metallic 1T phase. The (ReMoV)S nanosheets demonstrate enhanced electrocatalytic activity toward the acidic hydrogen evolution reaction (HER) compared to (ReV)S. 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) shows that ternary alloying effectively activates the basal S atoms for the HER, supporting the enhanced catalytic performance observed experimentally.
通过合金化调节二维过渡金属二硫属化物的电子结构可以扩展其潜在应用。在本研究中，分别使用溶剂热反应和胶体反应合成了（ReMoV）X（X = S和Se）的成分可调三元合金纳米片。在很宽的成分范围（x = 0.16 - 0.80）内发生了具有均匀原子混合的三元合金化。与（ReV）X二元合金化相比，三元合金化产生了氧化程度更低的更金属化相。增加x会诱导相变到更金属化的1T相。与（ReV）S相比，（ReMoV）S纳米片对酸性析氢反应（HER）表现出增强的电催化活性。密度泛函理论计算预测三元合金化会增加纳米片的金属性。此外，氢吸附的吉布斯自由能计算（ΔG）表明三元合金化有效地激活了用于HER的基面S原子，支持了实验观察到的增强催化性能。
