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.

Naslund, L. A.Stockholms universitet,Stockholm University (author)
Andersson, K.Stockholms universitet,Stockholm University (author)
Gyllenpalm, J.Stockholms universitet,Stockholm University (author)
Karlberg, Gustav,1975Chalmers tekniska högskola,Chalmers University of Technology(Swepub:cth)guka (author)
Odelius, M.Stockholms universitet,Stockholm University (author)
Ogasawara, H. (author)
Pettersson, L. G. M.Stockholms universitet,Stockholm University (author)
Nilsson, A.Stockholms universitet,Stockholm University (author)
Stockholms universitetChalmers tekniska högskola (creator_code:org_t)

In:Journal of Physical Chemistry C: American Chemical Society (ACS)111:41, s. 15003-150121932-74471932-7455

By the author/editor: Schiros, T.; Naslund, L. A.; Andersson, K.; Gyllenpalm, J.; Karlberg, Gustav ...; Odelius, M.; show more...; Ogasawara, H.; Pettersson, L. G ...; Nilsson, A.; show less...

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