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Double-Stranded Water on Stepped Platinum Surfaces.

Manuel J Kolb1, Rachael G Farber2, Jonathan Derouin2

  • 1Leiden Institute of Chemistry, Leiden University, P.O. Box 9502, 2300 RA, Leiden, The Netherlands.

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Platinum’s interaction with water is crucial for catalysis. This study reveals how water molecules form specific structures at platinum step edges, explaining experimental observations and impacting electrocatalysis understanding.

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Area of Science:

  • Surface science
  • Physical chemistry
  • Electrocatalysis

Background:

  • The interaction between platinum (Pt) and water is fundamental to many catalytic processes.
  • Understanding water adsorption structures on Pt surfaces is key to optimizing (electro)catalysis.
  • Previous studies have not fully resolved the preferred water adsorption configuration at Pt step edges.

Purpose of the Study:

  • To determine the preferred adsorption structure of water on a Pt(111)-step surface with adjacent (111) terraces.
  • To elucidate the hydrogen bonding network within adsorbed water layers at step edges.
  • To provide a molecular-level explanation for experimental observations in Pt-water systems.

Main Methods:

  • Combined theoretical calculations (e.g., Density Functional Theory) and experimental techniques.
  • Simulating water adsorption on stepped Pt surfaces.
  • Analyzing hydrogen bond configurations and adsorption energies.

Main Results:

  • Water molecules preferentially adsorb in double-stranded lines along the Pt step edge.
  • These lines form distinct water tetragons with varied hydrogen bond characteristics.
  • The identified structure explains previously observed water desorption phenomena.
  • The findings offer insights into solvation effects at the platinum-electrolyte interface.

Conclusions:

  • The study resolves the preferred water adsorption structure at Pt(111)-step edges.
  • The findings provide a molecular basis for understanding water's role in Pt (electro)catalysis.
  • This work impacts the understanding of solvation phenomena at electrochemical interfaces.