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Catalytic hydrogenation of alkenes is a transition-metal catalyzed reduction of the double bond using molecular hydrogen to give alkanes. The mode of hydrogen addition follows syn stereochemistry.
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Alkenes undergo reduction by the addition of molecular hydrogen to give alkanes. Because the process generally occurs in the presence of a transition-metal catalyst, the reaction is called catalytic hydrogenation.
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Partially Interstitial Silicon-Implanted Ruthenium as an Efficient Electrocatalyst for Alkaline Hydrogen Evolution.

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Angewandte Chemie (International Ed. in English)
|December 17, 2024
PubMed
Summary

Researchers enhanced alkaline hydrogen evolution reaction (HER) by modifying ruthenium (Ru) catalyst sites. A novel Ru-RuSi heterostructure optimizes catalytic activity, significantly boosting HER performance in alkaline media.

Keywords:
RuSi heterostructurealkaline HERcatalytic sitesinterstitial Siliconinterstitial incorporation

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Area of Science:

  • Materials Science
  • Electrochemistry
  • Catalysis

Background:

  • Enhancing the alkaline hydrogen evolution reaction (HER) requires understanding and controlling catalytic sites.
  • Metallic ruthenium (Ru) shows limitations in alkaline HER despite favorable theoretical site properties.
  • Recessive Ru-top sites are outperformed by adjacent Ru-hollow sites, hindering overall catalytic efficiency.

Purpose of the Study:

  • To fundamentally understand and rationally modulate potential catalytic sites for improved alkaline HER.
  • To transform recessive Ru-top sites into dominant catalytic sites.
  • To develop a strategy for enhancing Ru-based catalysts for alkaline HER.

Main Methods:

  • Computational analysis of water dissociation and hydrogen adsorption free energy (ΔG*H) at Ru sites.
  • Partial interstitial incorporation of silicon (Si) atoms into Ru hollow sites to form a Ru-RuSi heterostructure.
  • Investigation of the electronic structure and built-in electric fields at the heterostructure interface.

Main Results:

  • Ru-top sites were converted from recessive to dominant catalytic sites in the Ru-RuSi heterostructure.
  • The strategy preserved the low water dissociation energy barrier at the Ru surface.
  • Spontaneously formed built-in electric fields optimized Ru site adsorption, reducing thermodynamic barriers and enhancing alkaline HER.

Conclusions:

  • Partial interstitial incorporation of Si in Ru is an effective strategy to create dominant Ru-top catalytic sites.
  • The Ru-RuSi heterostructure significantly enhances alkaline HER activity by optimizing adsorption and reducing energy barriers.
  • This approach offers a new pathway for designing advanced electrocatalysts for hydrogen production.