CO Adsorption on Clean and Oxidized Pd(111)
Journal article, 2014
The adsorption of CO on clean and oxidized Pd(111) surfaces has been investigated using a combination of high-resolution core level spectroscopy (HRCLS), reflection absorption infrared spectroscopy (RAIRS), and density functional theory (DFT) calculations. The HRCLS and RAIRS measurements reveal that CO adsorbs on Pd(111), Pd(5)O4 and PdO(101) at 100 +/- 10 K and that the CO coverage decreases with increasing oxidation state of Pd for the same CO exposures of 10 Langmuirs. Based on the DFT calculations, the CO layer on clean Pd(111) was found to include molecular adsorption in both hollow and bridge sites, whereas CO occupies a combination of bridge and atop sites on the Pd5O4 and PdO(101) surfaces.
AUGMENTED-WAVE METHOD
REFLECTION-ABSORPTION SPECTROSCOPY
CARBON-MONOXIDE
PDO(101) THIN-FILM
PHOTOEMISSION
LEVEL
TOTAL-ENERGY CALCULATIONS
ULTRAHIGH-VACUUM
ORDERED STRUCTURES
CATALYTIC REACTIVITY
VIBRATIONAL SPECTROSCOPY
Author
N. M. Martin
Lund University
Maxime van den Bossche
Chalmers, Applied Physics, Chemical Physics
Competence Centre for Catalysis (KCK)
Henrik Grönbeck
Competence Centre for Catalysis (KCK)
Chalmers, Applied Physics, Chemical Physics
C. Hakanoglu
University of Florida
Fengling Zhang
University of Florida
T. Li
University of Florida
J. Gustafson
Lund University
Jason F. Weaver
University of Florida
E. Lundgren
Lund University
Journal of Physical Chemistry C
1932-7447 (ISSN) 1932-7455 (eISSN)
Vol. 118 2 1118-1128Driving Forces
Sustainable development
Areas of Advance
Nanoscience and Nanotechnology
Transport
Energy
Materials Science
Subject Categories
Physical Chemistry
Chemical Sciences
Roots
Basic sciences
Infrastructure
C3SE (Chalmers Centre for Computational Science and Engineering)
DOI
10.1021/jp410895c