Dissociative Adsorption of Hydrogen on PdO(101) Studied by HRCLS and DFT
(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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- author
- organization
- publishing date
- 2013
- 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}}, }