CO Adsorption on Clean and Oxidized Pd(111)
Artikel i vetenskaplig tidskrift, 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
Författare
N. M. Martin
Lunds universitet
Maxime van den Bossche
Chalmers, Teknisk fysik, Kemisk fysik
Kompetenscentrum katalys
Henrik Grönbeck
Kompetenscentrum katalys
Chalmers, Teknisk fysik, Kemisk fysik
C. Hakanoglu
University of Florida
Fengling Zhang
University of Florida
T. Li
University of Florida
J. Gustafson
Lunds universitet
Jason F. Weaver
University of Florida
E. Lundgren
Lunds universitet
Journal of Physical Chemistry C
1932-7447 (ISSN) 1932-7455 (eISSN)
Vol. 118 2 1118-1128Drivkrafter
Hållbar utveckling
Styrkeområden
Nanovetenskap och nanoteknik
Transport
Energi
Materialvetenskap
Ämneskategorier
Fysikalisk kemi
Kemi
Fundament
Grundläggande vetenskaper
Infrastruktur
C3SE (Chalmers Centre for Computational Science and Engineering)
DOI
10.1021/jp410895c