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This study reveals that interfacial water dynamics are key to low activity in neutral hydrogen evolution reactions (HER). RuSeₓ clusters enhance HER by optimizing water transport on Ru single atoms, boosting efficiency.

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Area of Science:

  • Materials Science
  • Electrochemistry
  • Catalysis

Background:

  • Neutral hydrogen evolution reaction (HER) is crucial for sustainable hydrogen production.
  • Low activity in neutral HER is a persistent challenge, hindering practical applications.
  • The underlying mechanisms, particularly the role of interfacial water, remain poorly understood.

Purpose of the Study:

  • To elucidate the role of interfacial water in neutral HER activity.
  • To investigate the synergistic effects between Ruthenium single atoms (RuNC) and Ruthenium selenide cluster compounds (RuSeₓ).
  • To enhance the performance of neutral HER catalysts.

Main Methods:

  • Ab initio molecular dynamics simulations.
  • Operando X-ray absorption spectroscopy (XAS).
  • Operando surface-enhanced infrared absorption spectroscopy (SEIRAS).

Main Results:

  • Established that interfacial water governs neutral HER activity.
  • Demonstrated that RuSeₓ disorders the interfacial water network, promoting H₂O*/OH* transport.
  • Observed a 6.7-fold increase in mass-specific activity compared to Pt/C at 100 mV overpotential.

Conclusions:

  • The interfacial water network plays a critical role in neutral HER.
  • Synergistic interaction between RuNC and RuSeₓ effectively optimizes water transport and catalytic activity.
  • This work provides a new strategy for designing efficient electrocatalysts for neutral HER.