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.
OXYGEN
ADSORPTION
DENSITY-FUNCTIONAL THEORY
CORE-LEVEL
ADSORBATES
SPECTROSCOPY
RAY-ABSORPTION-SPECTRA
LIQUID WATER
OVERLAYER
APPROXIMATION
SURFACE
Författare
T. Schiros
Stockholms universitet
Stanford Synchrotron Radiation Laboratory
L. A. Naslund
Stanford Synchrotron Radiation Laboratory
Stockholms universitet
K. Andersson
Stanford Synchrotron Radiation Laboratory
Stockholms universitet
J. Gyllenpalm
Stanford Synchrotron Radiation Laboratory
Stockholms universitet
Gustav Karlberg
Chalmers, Teknisk fysik, Material- och ytteori
M. Odelius
Stockholms universitet
H. Ogasawara
Stanford Synchrotron Radiation Laboratory
L. G. M. Pettersson
Stockholms universitet
A. Nilsson
Stockholms universitet
Stanford Synchrotron Radiation Laboratory
Journal of Physical Chemistry C
1932-7447 (ISSN) 1932-7455 (eISSN)
Vol. 111 41 15003-15012Ämneskategorier
Annan teknik
DOI
10.1021/jp073405f