Structure and bonding of the water-hydroxyl mixed phase on Pt(111)
Journal article, 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
Author
T. Schiros
L. A. Naslund
K. Andersson
J. Gyllenpalm
Gustav Karlberg
Chalmers, Applied Physics, Materials and Surface Theory
M. Odelius
H. Ogasawara
L. G. M. Pettersson
A. Nilsson
Journal of Physical Chemistry C
1932-7447 (ISSN) 1932-7455 (eISSN)
Vol. 111 41 15003-15012Subject Categories (SSIF 2011)
Other Engineering and Technologies
DOI
10.1021/jp073405f