Structure and bonding of the water-hydroxyl mixed phase on Pt(111)

• We combine low-energy electron diffraction (LEED), X-ray photoelectron spectroscopy (XPS), X-ray absorption spectroscopy (XAS), and Auger electron spectroscopy (AES) with density functional theory (DFT) to reveal the structure and bonding of water-hydroxyl mixed layers adsorbed on Pt(111). We find that the stable water-hydroxyl adlayer forms a mixed phase of nearly coplanar hexamer structures resulting in (root 3 x root 3)R30 degrees and (3 x 3) unit cells, respectively. In the asymmetric (3 x 3) structure the lateral O-O distances alternate between long and short bond lengths similar to the chemical bonding network for OH- ions in solution. The chemical driving force behind this similarity is discussed in a molecular orbital picture.

Subject headings

TEKNIK OCH TEKNOLOGIER  -- Annan teknik (hsv//swe)

ENGINEERING AND TECHNOLOGY  -- Other Engineering and Technologies (hsv//eng)

Keyword

OXYGEN

ADSORPTION

DENSITY-FUNCTIONAL THEORY

CORE-LEVEL

ADSORBATES

SPECTROSCOPY

RAY-ABSORPTION-SPECTRA

LIQUID WATER

OVERLAYER

APPROXIMATION

SURFACE

Publication and Content Type

art (subject category)

ref (subject category)