Facile and Scalable Mechanochemical Synthesis of Defective MoS<sub>2</sub> with Ru Single Atoms Toward High‐Current‐Density Hydrogen Evolution
Chengguang Lang, Wenbin Jiang, Cheng‐Jie Yang, Hao Zhong, Peirong Chen, Qilong Wu, Xuecheng Yan, Chung‐Li Dong, Yue Lin, Liuzhang Ouyang, Jia Yi, Xiangdong Yao
Abstract
Abstract Designing a facile strategy to prepare catalysts with highly active sites are challenging for large‐scale implementation of electrochemical hydrogen production. Herein, a straightforward and eco‐friendly method by high‐energy mechanochemical ball milling for mass production of atomic Ru dispersive in defective MoS 2 catalysts (Ru 1 @D‐MoS 2 ) is developed. It is found that single atomic Ru doping induces the generation of S vacancies, which can break the electronic neutrality around Ru atoms, leading to an asymmetrical distribution of electrons. It is also demonstrated that the Ru 1 @D‐MoS 2 exhibits superb alkaline hydrogen evolution enhancement, possibly attributing to this electronic asymmetry. The overpotential required to deliver a current density of 10 mA cm −2 is as low as 107 mV, which is much lower than that of commercial MoS 2 (C‐MoS 2 , 364 mV). Further density functional theory (DFT) calculations also support that the vacancy‐coupled single Ru enables much higher electronic distribution asymmetry degree, which could regulate the adsorption energy of intermediates, favoring the water dissociation and the adsorption/desorption of H*. Besides, the long‐term stability test under 500 mA cm −2 further confirms the robust performance of Ru 1 @D‐MoS 2 . Our strategy provides a promising and practical way towards large‐scale preparation of advanced HER catalysts for commercial applications.