Creating Stable Catalysts for Electrochemical Water Splitting

Researchers at Tohoku University have developed a stable catalyst suitable for practical use.

This stability was achieved through an in-depth study of "reconstruction," a complex chemical and electrochemical process that alters a precatalyst's properties during catalysis.

Synthesis and characterization of the Co2Mo3O8 precatalyst. (a) Schematic illustration of the preparation route for developing pristine Co2Mo3O8, where CoMo-P, CoMo@ZIF-67-P, and Co/CoO @Co2Mo3O8 represent various precursors or intermediates for synthesizing Co2Mo3O8. (b) X-ray diffraction (XRD) pattern, (c) scanning electron microscopy (SEM) image, (d) atomic force microscopy (AFM) image, (e) transmission electron microscope (TEM) image, (f) high-resolution TEM(HRTEM) image (insets are the corresponding structural illustration and the fast Fourier transform (FFT) pattern, Z.A. represents zone axis), and (g) high-angle annular dark-field scanning TEM(HAADF-STEM) image and energy dispersive X-ray spectroscopy (EDX) elemental mapping images of Co2Mo3O8. Image Credit: Heng Liu.
Synthesis and characterization of the Co2Mo3O8 precatalyst. (a) Schematic illustration of the preparation route for developing pristine Co2Mo3O8, where CoMo-P, CoMo@ZIF-67-P, and Co/CoO @Co2Mo3O8 represent various precursors or intermediates for synthesizing Co2Mo3O8. (b) X-ray diffraction (XRD) pattern, (c) scanning electron microscopy (SEM) image, (d) atomic force microscopy (AFM) image, (e) transmission electron microscope (TEM) image, (f) high-resolution TEM(HRTEM) image (insets are the corresponding structural illustration and the fast Fourier transform (FFT) pattern, Z.A. represents zone axis), and (g) high-angle annular dark-field scanning TEM(HAADF-STEM) image and energy dispersive X-ray spectroscopy (EDX) elemental mapping images of Co2Mo3O8. Image Credit: Heng Liu.

Environmentally friendly fuels are crucial for meeting the carbon neutrality targets for the 2050s.

Catalysts, and their precursors (precatalysts), are important elements in the electrochemical water-splitting reaction that produces clean hydrogen fuel.

Identifying the exact mechanisms behind reconstruction is challenging due to the influence of various factors, such as reaction temperature, the electrochemical induction method, and the properties of the precatalyst and electrolyte.

It's hard to design a catalyst that works well when that catalyst itself can change. It's almost like trying to play tennis with a ball that morphs each time you hit it. Therefore, there are a lot of challenges to develop a rational and commonly applicable methodology for synthesizing high-performance catalysts.

Heng Liu, Study Corresponding Author, Advanced Institute for Materials Research, Tohoku University

Potential-dependent reconstruction of a Co2Mo3O8 precatalyst produced an electrochemically stable Co(OH)2@Co2Mo3O8 catalyst. In addition to etching intrinsic species from the precatalyst into electrolytes, the study team found that applied potentials can regulate the surface structure modification of precatalysts.

Rebuilding catalysts and altering electrolytes transforms the catalytic system, improving its performance. When compared to a reversible hydrogen electrode (RHE) for hydrogen generation, the catalyst achieved a Faradaic efficiency of 99.9 %. Moreover, the catalyst maintained stability for over a month.

In summary, the resulting catalyst was highly efficient, and able to stay in storage for extended periods of time. Our study highlights its suitability for industrial applications.

Heng Liu, Study Corresponding Author, Advanced Institute for Materials Research, Tohoku University

This study advances the understanding of how precatalyst reconstruction and electrolyte evolution affect catalytic performance, paving the way for more effective catalyst design. Advancements in catalyst design have the potential to improve clean energy production, aiding efforts to reduce pollution and mitigate climate change.

The Hao Li Lab developed the Digital Catalysis Platform (DigCat), the largest experimental catalysis database to date, which makes computational structures and essential experimental data accessible.

The Tohoku University Support Program provided funding for the article processing charge (APC).

Photoelectrochemical (PEC) Water Splitting for Hydrogen Production

Journal Reference:

Zhu, A., et al. (2025) Rational design of precatalysts and controlled evolution of catalyst-electrolyte interface for efficient hydrogen production. Nature Communications. doi.org/10.1038/s41467-025-57056-6

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