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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 (ACS)
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
2016-04-01 16:57:58
date last changed
2022-04-15 08:20:40
@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 (ACS)}},
  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}},
  doi          = {{10.1021/jp0223408}},
  volume       = {{107}},
  year         = {{2003}},
}