Unusual CO adsorption sites on vanadium oxide-Pd(111) "inverse model catalyst" surfaces
(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)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/310418
- author
- Surnev, S ; Sock, M ; Kresse, G ; Andersen, Jesper N LU ; Ramsey, MG and Netzer, FP
- organization
- publishing date
- 2003
- 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}}, }