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.
OXYGEN
ADSORPTION
DENSITY-FUNCTIONAL THEORY
CORE-LEVEL
ADSORBATES
SPECTROSCOPY
RAY-ABSORPTION-SPECTRA
LIQUID WATER
OVERLAYER
APPROXIMATION
SURFACE
Author
T. Schiros
Stockholm University
Stanford Synchrotron Radiation Laboratory
L. A. Naslund
Stanford Synchrotron Radiation Laboratory
Stockholm University
K. Andersson
Stanford Synchrotron Radiation Laboratory
Stockholm University
J. Gyllenpalm
Stanford Synchrotron Radiation Laboratory
Stockholm University
Gustav Karlberg
Chalmers, Applied Physics, Materials and Surface Theory
M. Odelius
Stockholm University
H. Ogasawara
Stanford Synchrotron Radiation Laboratory
L. G. M. Pettersson
Stockholm University
A. Nilsson
Stockholm University
Stanford Synchrotron Radiation Laboratory
Journal of Physical Chemistry C
1932-7447 (ISSN) 1932-7455 (eISSN)
Vol. 111 41 15003-15012Subject Categories
Other Engineering and Technologies
DOI
10.1021/jp073405f