Structure and Bonding of the Water−Hydroxyl Mixed Phase on Pt(111)
The Journal of Physical Chemistry C2007Vol. 111(41), pp. 15003–15012
Citations Over TimeTop 10% of 2007 papers
Theanne Schiros, Lars‐Åke Näslund, Klas Andersson, Jakob Gyllenpalm, G. S. Karlberg, Michael Odelius, Hirohito Ogasawara, Lars G. M. Pettersson, Anders Nilsson
Abstract
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.
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