Electronic Modulation of Metal-Organic Frameworks Caused by Atomically Dispersed Ru for Efficient Hydrogen Evolution

Area of Science:

• Materials Science
• Electrochemistry
• Catalysis

Background:

• Developing efficient electrocatalysts for the hydrogen evolution reaction (HER) is crucial for sustainable hydrogen fuel production.
• Metal-organic frameworks (MOFs) offer tunable structures for catalytic applications.

Purpose of the Study:

• To design and synthesize a novel electrocatalyst for enhanced HER performance.
• To investigate the role of atomically dispersed ruthenium in a cobalt-based MOF for HER.

Main Methods:

• Fabrication of atomically dispersed ruthenium in cobalt-based MOF (CoRu-BPDC) nanosheet arrays.
• Electrochemical characterization of HER performance in alkaline media.
• Synchrotron radiation-based X-ray absorption fine structure (XAFS) spectroscopy.
• Density functional theory (DFT) calculations.

Main Results:

• CoRu-BPDC nanosheet arrays demonstrated excellent HER performance with a low overpotential (37 mV at 10 mA cm⁻²).
• XAFS spectroscopy confirmed the presence of five-coordinated Ru-O₅ species, indicating isolated Ru atoms.
• DFT calculations revealed that dispersed Ru modulates the electronic structure, optimizing hydrogen binding.

Conclusions:

• Atomically dispersed Ru in Co-BPDC significantly enhances HER activity.
• This strategy provides a new approach for designing advanced MOF-based electrocatalysts.
• The findings contribute to the development of efficient catalysts for clean hydrogen production.