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Unusual CO adsorption sites on vanadium oxide-Pd(111) "inverse model catalyst" surfaces

Surnev, S; Sock, M; Kresse, G; Andersen, Jesper N LU ; Ramsey, MG and Netzer, FP (2003) In The Journal of Physical Chemistry Part B 107(20). p.4777-4785
Abstract
The morphology, structure, and reactivity of vanadium oxide-decorated Pd(111) surfaces, which have been subjected to oxidation and reduction treatments, have been investigated by scanning tunneling microscopy (STM), high-resolution electron energy loss spectroscopy (HREELS), and high-resolution X-ray photoelectron spectroscopy (HR-XPS) with synchrotron radiation combined with ab initio density functional theory (DFT) calculations. Two major oxide phases form on the Pd(111) surface following the oxidation (V5O14) and reduction (s-V2O3) treatments; their structures have been revealed with the help of the DFT calculations. The reactive sites of both oxidized and reduced vanadium oxide/Pd(111) surfaces have been studied using the adsorption of... (More)
The morphology, structure, and reactivity of vanadium oxide-decorated Pd(111) surfaces, which have been subjected to oxidation and reduction treatments, have been investigated by scanning tunneling microscopy (STM), high-resolution electron energy loss spectroscopy (HREELS), and high-resolution X-ray photoelectron spectroscopy (HR-XPS) with synchrotron radiation combined with ab initio density functional theory (DFT) calculations. Two major oxide phases form on the Pd(111) surface following the oxidation (V5O14) and reduction (s-V2O3) treatments; their structures have been revealed with the help of the DFT calculations. The reactive sites of both oxidized and reduced vanadium oxide/Pd(111) surfaces have been studied using the adsorption of CO as a test molecule for probing the free Pd sites. The adsorbate (C 1s) and substrate (Pd 3d) core level XPS data show that on the reduced, s-V2O3-decorated Pd(111) surfaces, CO occupies the same adsorption sites as on the clean Pd(111). In contrast, a new type of CO adsorption site is found on the oxidized, V5O14-covered Pd(111) surfaces that is associated with the adsorption of CO within the open (4 x 4) oxide lattice. The latter contains holes with six free Pd atoms per unit cell, which may be considered as a particular kind of an "adsorption pocket". (Less)
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organization
publishing date
type
Contribution to journal
publication status
published
subject
in
The Journal of Physical Chemistry Part B
volume
107
issue
20
pages
4777 - 4785
publisher
The American Chemical Society
external identifiers
  • wos:000182932900015
  • scopus:0037945584
ISSN
1520-5207
DOI
10.1021/jp0223408
language
English
LU publication?
yes
id
c9c60092-e824-4d67-9fd6-8f9d7485431f (old id 310418)
date added to LUP
2007-09-22 13:50:49
date last changed
2018-01-07 09:39:50
@article{c9c60092-e824-4d67-9fd6-8f9d7485431f,
  abstract     = {The morphology, structure, and reactivity of vanadium oxide-decorated Pd(111) surfaces, which have been subjected to oxidation and reduction treatments, have been investigated by scanning tunneling microscopy (STM), high-resolution electron energy loss spectroscopy (HREELS), and high-resolution X-ray photoelectron spectroscopy (HR-XPS) with synchrotron radiation combined with ab initio density functional theory (DFT) calculations. Two major oxide phases form on the Pd(111) surface following the oxidation (V5O14) and reduction (s-V2O3) treatments; their structures have been revealed with the help of the DFT calculations. The reactive sites of both oxidized and reduced vanadium oxide/Pd(111) surfaces have been studied using the adsorption of CO as a test molecule for probing the free Pd sites. The adsorbate (C 1s) and substrate (Pd 3d) core level XPS data show that on the reduced, s-V2O3-decorated Pd(111) surfaces, CO occupies the same adsorption sites as on the clean Pd(111). In contrast, a new type of CO adsorption site is found on the oxidized, V5O14-covered Pd(111) surfaces that is associated with the adsorption of CO within the open (4 x 4) oxide lattice. The latter contains holes with six free Pd atoms per unit cell, which may be considered as a particular kind of an "adsorption pocket".},
  author       = {Surnev, S and Sock, M and Kresse, G and Andersen, Jesper N and Ramsey, MG and Netzer, FP},
  issn         = {1520-5207},
  language     = {eng},
  number       = {20},
  pages        = {4777--4785},
  publisher    = {The American Chemical Society},
  series       = {The Journal of Physical Chemistry Part B},
  title        = {Unusual CO adsorption sites on vanadium oxide-Pd(111) "inverse model catalyst" surfaces},
  url          = {http://dx.doi.org/10.1021/jp0223408},
  volume       = {107},
  year         = {2003},
}