WS<sub>2</sub> Moiré Superlattices Supporting Au Nanoclusters and Isolated Ru to Boost Hydrogen Production.

Chen, Dechao; Gao, Tianyu; Wei, Zengxi; Wang, Mengjia; Ma, Yingfei; Xiao, Dongdong; Cao, Changsheng; Lee, Cheng-You et al. · Adv Mater · 2024

basic_science · Level V

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Abstract

Maximizing the catalytic activity of single-atom and nanocluster catalysts through the modulation of the interaction between these components and the corresponding supports is crucial but challenging. Herein, guided by theoretical calculations, a nanoporous bilayer WS<sub>2</sub> Moiré superlattices (MSLs) supported Au nanoclusters (NCs) adjacent to Ru single atoms (SAs) (Ru<sub>1</sub>/Au<sub>n</sub>-2LWS<sub>2</sub>) is developed for alkaline hydrogen evolution reaction (HER) for the first time. Theoretical analysis suggests that the induced robust electronic metal-support interaction effect in Ru<sub>1</sub>/Au<sub>n</sub>-2LWS<sub>2</sub> is prone to promote the charge redistribution among Ru SAs, Au NCs, and WS<sub>2</sub> MSLs support, which is beneficial to reduce the energy barrier for water adsorption and thus promoting the subsequent H<sub>2</sub> formation. As feedback, the well-designed Ru<sub>1</sub>/Au<sub>n</sub>-2LWS<sub>2</sub> electrocatalyst exhibits outstanding HER performance with high activity (η<sub>10</sub> = 19 mV), low Tafel slope (35 mV dec<sup>-1</sup>), and excellent long-term stability. Further, in situ, experimental studies reveal that the reconstruction of Ru SAs/NCs with S vacancies in Ru<sub>1</sub>/Au<sub>n</sub>-2LWS<sub>2</sub> structure acts as the main catalytically active center, while high-valence Au NCs are responsible for activating and stabilizing Ru sites to prevent the dissolution and deactivation of active sites. This work offers guidelines for the rational design of high-performance atomic-scale electrocatalysts.