Structure and bonding of the water-hydroxyl mixed phase on Pt(111)
Artikel i vetenskaplig tidskrift, 2007
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.
OVERLAYER
ADSORPTION
RAY-ABSORPTION-SPECTRA
ADSORBATES
LIQUID WATER
DENSITY-FUNCTIONAL THEORY
OXYGEN
SURFACE
CORE-LEVEL
SPECTROSCOPY
APPROXIMATION
Författare
T. Schiros
L. A. Naslund
K. Andersson
J. Gyllenpalm
Gustav Karlberg
Chalmers, Teknisk fysik, Material- och ytteori
M. Odelius
H. Ogasawara
L. G. M. Pettersson
A. Nilsson
Journal of Physical Chemistry C
1932-7447 (ISSN) 1932-7455 (eISSN)
Vol. 111 41 15003-15012Ämneskategorier (SSIF 2011)
Annan teknik
DOI
10.1021/jp073405f