Precision-Engineered Electronic Modulation of Ruthenium Clusters and Single Atoms on Vacancy-Rich α-MoC<sub>1-</sub> <sub>x</sub> Enables Efficient Electrocatalytic Water Splitting.

Yao, Jixin; Wang, Jie; Wang, Wen; Xu, Haifeng; Chen, Dongmeng; Li, Guang; Jin, Zhong · Adv Mater · 2026

basic_science · Level V

Where this comes from

Abstract

Maximizing the utilization of active metals while maintaining efficient catalytic activity is of great importance for electrocatalytic alkaline hydrogen evolution reaction. Herein, we report a facile pyrolysis strategy to anchor Ru clusters and adjacent Ru single atoms on α-MoC<sub>1-x</sub> coated carbon nanospheres (termed as Ru<sub>CS/SA</sub>/α-MoC<sub>1-x</sub>/C). Theoretical calculations combined with in situ characterizations reveal that an electron-bridging mechanism whereby Ru single atoms donate electrons to the defective α-MoC<sub>1-</sub> <sub>x</sub>, which subsequently transfers electron to Ru clusters, enabling a cooperative modulation of the electronic structure across different types of Ru sites. Therefore, the dual excitation of Ru single atoms and α-MoC<sub>1-x</sub> weakens the binding strength between Ru clusters and H*, accelerates the desorption of H<sub>2</sub>. The as-obtained 3%-Ru<sub>CS/SA</sub>/α-MoC<sub>1-x</sub>/C sample attains an excellent overpotential of 9 mV at 10 mA cm<sup>-2</sup> along with a mass activity of 20.38 A mg<sup>-1</sup> <sub>Ru</sub> (-100 mV) and a turnover frequency of 1.71 H<sub>2</sub> s<sup>-1</sup> at 25 mV, which is larger than those of 20% Pt/C. Moreover, Both the anion exchange membrane water electrolysis cells and Zn-H<sub>2</sub>O batteries employing 3%-Ru<sub>CS/SA</sub>/α-MoC<sub>1-x</sub>/C as the cathode electrocatalyst exhibit exceptional performance.