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Modulating electronic structure of metal-organic frameworks by introducing atomically dispersed Ru for efficient
Yamei Sun1, Ziqian Xue1, Qinglin Liu1
1MOE Laboratory of Bioinorganic and Synthetic Chemistry, Lehn Institute of Functional Materials, School of Chemistry, Sun Yat-Sen University, Guangzhou, China.
Nature Communications
|March 2, 2021
Summary
Developing advanced electrocatalysts for the hydrogen evolution reaction (HER) is crucial for clean energy. This study introduces a single-atom strategy using metal-organic frameworks (MOFs) to create highly active and stable HER catalysts.
Area of Science:
- Materials Science
- Electrochemistry
- Catalysis
Background:
- Efficient electrocatalysts are vital for sustainable hydrogen production via the hydrogen evolution reaction (HER).
- Developing high-performance, cost-effective catalysts remains a significant challenge.
- Metal-organic frameworks (MOFs) offer tunable structures for catalytic applications.
Purpose of the Study:
- To design and synthesize a novel metal-organic framework (MOF) electrocatalyst for the hydrogen evolution reaction (HER) using a single-atom strategy.
- To investigate the impact of atomically dispersed ruthenium (Ru) on the catalytic activity and electronic structure of Ni-based MOFs.
- To evaluate the electrocatalytic performance of the synthesized MOF across a wide range of pH conditions.
Main Methods:
- Synthesis of a single-atom MOF electrocatalyst (NiRu0.13-BDC) by incorporating atomically dispersed Ru into a Ni-based MOF.
- Electrochemical characterization, including overpotential measurements at a current density of 10 mA cm⁻² in 1 M phosphate buffered saline solution.
- Advanced characterization techniques such as X-ray absorption fine structures (XAFS) and density functional theory (DFT) calculations.
Main Results:
- The NiRu0.13-BDC catalyst demonstrated outstanding HER activity across all pH values.
- Achieved a low overpotential of 36 mV at 10 mA cm⁻² in a phosphate buffered saline solution, comparable to commercial Pt/C.
- XAFS and DFT calculations confirmed that single-atom Ru modulates the electronic structure of the Ni center, optimizing binding energies for intermediates and enhancing HER performance.
Conclusions:
- The single-atom strategy is an effective approach for designing advanced MOF electrocatalysts for HER.
- Atomically dispersed Ru significantly enhances the HER activity of Ni-based MOFs by tuning electronic properties.
- This work provides a promising pathway for developing efficient and stable electrocatalysts for clean hydrogen energy production.
