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Updated: Apr 16, 2026

Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction
Published on: April 10, 2018
ZrO2-induced d-d spatial coordination effects of Ru single-atom catalysts to boost the oxygen evolution reaction
Dandan Yu1, Bin Liu1, Dongming Li1
1School of Materials Science and Engineering, Dalian Jiaotong University Dalian 116028 China zhangyong0411@126.com.
None:
Proton exchange membrane water electrolysis (PEMWE) is a leading strategy for producing green hydrogen from intermittent renewable energy. However, the high anodic energy barrier of the oxygen evolution reaction (OER), in a strongly acidic and highly oxidative operating environment, poses severe challenges for catalyst design. Herein, based on a unique d-d spatial coordination design, tetragonal zirconia-supported Ru single-atom catalysts (Ru-RSZ) were synthesized, which exhibited an overpotential as low as 208 mV and a mass activity of 1452.61 A gRu -1 @ 1.51 V. Remarkably, these catalysts were stably operated for 500 h. X-ray absorption spectroscopy (XAS) and high-angle annular dark-field (HAADF) imaging demonstrated that Ru is atomically dispersed at Zr lattice sites in ZrO2, and the point-group symmetry of the Ru atom changes from D 2h in RuO2 to D 2d. Density functional theory (DFT) calculations elucidated that the d-band center of Ru atoms was lowered by d-d spatial coordination effects, which weakened the strong adsorption of oxygen at Ru sites, eventually reducing the activation barrier of the OER rate-determining step. This work paves a new avenue to design high-efficiency and stable catalysts for hydrogen production.
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