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Related Experiment Videos

Reactive wetting: H2O/Rh(111).

Peter J Feibelman1

  • 1Sandia National Laboratories, Albuquerque, New Mexico 87185-1413, USA.

Physical Review Letters
|June 6, 2003
PubMed
Summary
This summary is machine-generated.

Surface impurities, like carbon, explain how water forms stable layers on Rh(111). These impurities anchor water molecules, resolving a puzzle in surface science and catalysis.

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Area of Science:

  • Surface Science
  • Computational Chemistry
  • Materials Science

Background:

  • Experimental studies show Rh(111) supports a 2D water adlayer.
  • Thermodynamic stability calculations for clean Rh(111) do not support this observation.

Purpose of the Study:

  • To explain the experimental observation of a stable 2D water adlayer on Rh(111).
  • To investigate the role of surface impurities in water adsorption on Rh(111).

Main Methods:

  • First-principles calculations were employed.
  • The influence of carbon impurities on water adsorption was modeled.

Main Results:

  • Neither H2O bilayers nor half-dissociated H2O monolayers are stable on clean Rh(111).

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  • Carbon impurities provide favorable binding sites for H atoms from H2O.
  • The resulting hydroxyl (OH) fragments stabilize the 2D water layer.

    • Conclusions:

    • Surface impurities, specifically carbon, are crucial for the stability of 2D water adlayers on Rh(111).
    • This finding reconciles theoretical predictions with experimental observations in surface chemistry.