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Metastable Phase Engineering of Core@Shell RuFe@Ru for Boosting Hydrogen Evolution.

Jiashuo Gu1, Ligang Chen2, Juntao Zhang1

  • 1Key Laboratory for Special Functional Materials of Ministry of Education, National & Local Joint Engineering Research Center for High-efficiency Display and Lighting Technology, School of Materials Science and Engineering, Collaborative Innovation Center of Nano Functional Materials and Applications, Henan University, Kaifeng 475004, China.

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|June 10, 2025
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Summary

Phase engineering of metastable face-centered-cubic (fcc) ruthenium-iron (RuFe) alloys with a ruthenium (Ru) shell significantly boosts hydrogen evolution reaction (HER) catalysis compared to hexagonal-close-packed phases.

Keywords:
core@shellhydrogen evolution reactionmetastable phasephase engineeringruthenium

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Area of Science:

  • Materials Science
  • Catalysis
  • Nanotechnology

Background:

  • Noble nanomaterials with core-shell structures offer tunable properties.
  • Phase engineering is crucial for optimizing catalyst performance.
  • Metastable phases can exhibit unique catalytic activities.

Purpose of the Study:

  • To investigate the impact of phase engineering on core-shell nanomaterial catalysts.
  • To compare the hydrogen evolution reaction (HER) performance of different crystal phases and structures.
  • To elucidate the mechanism behind enhanced catalytic activity.

Main Methods:

  • Synthesis of core-shell nanomaterials with controlled phase (fcc vs. hcp).
  • Electrochemical characterization to evaluate HER performance.
  • Density functional theory (DFT) calculations to understand reaction mechanisms.

Main Results:

  • The fcc RuFe@fcc Ru core-shell catalyst demonstrated superior HER performance.
  • Performance was significantly better than hcp RuFe@hcp Ru and hcp RuFe catalysts.
  • DFT calculations confirmed modulated adsorption of intermediates and reduced reaction free energy.

Conclusions:

  • The core@shell structure and metastable fcc phase are critical for enhanced HER.
  • Phase engineering and structural design are effective strategies for advanced catalysts.
  • This work provides insights into designing high-performance electrocatalysts for hydrogen production.