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Coordination engineering of single-atom ruthenium in 2D MoS2 for enhanced hydrogen evolution
Chemical Science ( IF 7.6 ) Pub Date : 2024-09-09 , DOI: 10.1039/d4sc04905e
Dong Guo , Xiong-Xiong Xue , Menggai Jiao , Jinhui Liu , Tian Wu , Xiandi Ma , Die Lu , Rui Zhang , Shaojun Zhang , Gonglei Shao , Zhen Zhou

This study investigates the enhancement of catalytic activity in single-atom catalysts (SACs) through coordination engineering. By introducing non-metallic atoms (X = N, O, or F) into the basal plane of MoS2 via defect engineering and subsequently anchoring hetero-metallic Ru atoms, we created 10 types of non-metal-coordinated Ru SACs (Ru–X–MoS2). Computations indicate that non-metal atom X significantly modifies the electronic structure of Ru, optimizing the hydrogen evolution reaction (HER). Across acidic, neutral, and alkaline electrolytes, Ru–X–MoS2 catalysts exhibit significantly improved HER performance compared with Ru–MoS2, even surpassing commercial Pt/C catalysts. Among these, the Ru–O–MoS2 catalyst, characterized by its asymmetrically coordinated O2–Ru–S1 active sites, demonstrates the most favorable electrocatalytic behavior and exceptional stability across all pH ranges. Consequently, single-atom coordination engineering presents a powerful strategy for enhancing SAC catalytic performance, with promising applications in various fields.

中文翻译:


二维MoS2中单原子钌的配位工程以增强析氢



本研究研究了通过配位工程增强单原子催化剂(SAC)的催化活性。通过缺陷工程将非金属原子(X = N、O或F)引入MoS 2的基面并随后锚定异金属Ru原子,我们创建了10种非金属配位Ru SAC(Ru– X-MoS 2 )。计算表明,非金属原子 X 显着改变了 Ru 的电子结构,优化了析氢反应 (HER)。在酸性、中性和碱性电解质中,与 Ru-MoS 2相比,Ru-X-MoS 2催化剂表现出显着改善的 HER 性能,甚至超过了商业 Pt/C 催化剂。其中,Ru–O–MoS 2催化剂以其不对称配位的O 2 –Ru–S 1活性位点为特征,在所有pH范围内表现出最有利的电催化行为和出色的稳定性。因此,单原子配位工程为增强SAC催化性能提供了一种强有力的策略,在各个领域具有广阔的应用前景。
更新日期:2024-09-09
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