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Dissociative Adsorption of Hydrogen on PdO(101) Studied by HRCLS and DFT

Martin, Natalia LU ; Van den Bossche, M. ; Gronbeck, H. ; Hakanoglu, C. ; Gustafson, Johan LU ; Blomberg, Sara LU ; Arman, Mohammad A LU ; Antony, A. ; Rai, R. and Asthagiri, A. , et al. (2013) In Journal of Physical Chemistry C 117(26). p.13510-13519
Abstract
High-resolution core-level spectroscopy (HRCLS) and density functional theory (DFT) calculations have been used to investigate the adsorption and dissociation of hydrogen on a PdO(101) film grown on Pd(111). Energy-dependent measurements of the O 1s and Pd 3d(5/2) binding energies enable identification of surface components that correspond to undercoordinated Pd and O atoms. HRCLS data obtained at 110 K, after hydrogen exposure at the same temperature, reveal hydrogen adsorption and formation of Pd-H and O-H groups. Adsorption at room temperature results instead in complete reduction of the oxide. The experimental results are supported by the DFT calculations of core-level shifts and barriers for water formation.
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organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Journal of Physical Chemistry C
volume
117
issue
26
pages
13510 - 13519
publisher
The American Chemical Society (ACS)
external identifiers
  • wos:000321542000020
  • scopus:84879834780
ISSN
1932-7447
DOI
10.1021/jp4036698
language
English
LU publication?
yes
id
00febd2a-dcb4-41ba-aff4-0f9b5c29ffc2 (old id 3975822)
date added to LUP
2016-04-01 10:14:45
date last changed
2022-04-12 03:29:52
@article{00febd2a-dcb4-41ba-aff4-0f9b5c29ffc2,
  abstract     = {{High-resolution core-level spectroscopy (HRCLS) and density functional theory (DFT) calculations have been used to investigate the adsorption and dissociation of hydrogen on a PdO(101) film grown on Pd(111). Energy-dependent measurements of the O 1s and Pd 3d(5/2) binding energies enable identification of surface components that correspond to undercoordinated Pd and O atoms. HRCLS data obtained at 110 K, after hydrogen exposure at the same temperature, reveal hydrogen adsorption and formation of Pd-H and O-H groups. Adsorption at room temperature results instead in complete reduction of the oxide. The experimental results are supported by the DFT calculations of core-level shifts and barriers for water formation.}},
  author       = {{Martin, Natalia and Van den Bossche, M. and Gronbeck, H. and Hakanoglu, C. and Gustafson, Johan and Blomberg, Sara and Arman, Mohammad A and Antony, A. and Rai, R. and Asthagiri, A. and Weaver, J. F. and Lundgren, Edvin}},
  issn         = {{1932-7447}},
  language     = {{eng}},
  number       = {{26}},
  pages        = {{13510--13519}},
  publisher    = {{The American Chemical Society (ACS)}},
  series       = {{Journal of Physical Chemistry C}},
  title        = {{Dissociative Adsorption of Hydrogen on PdO(101) Studied by HRCLS and DFT}},
  url          = {{http://dx.doi.org/10.1021/jp4036698}},
  doi          = {{10.1021/jp4036698}},
  volume       = {{117}},
  year         = {{2013}},
}