The adsorption structure of NO on Pd(111) at high pressures studied by STM and DFT
(2005) In Journal of Physical Chemistry B 109(30). p.14262-14265- Abstract
Using a combination of scanning tunneling microscopy (STM) and density functional theory (DFT) calculations, we study the adsorption structure of NO on Pd(111) at pressures of up to 720 Torr. From atomically resolved STM images, we identify, at high pressures, only the (2 × 2)-3NO structure, which is identical with the highest NO-coverage structure found at low pressure and low temperature. DFT calculations confirm that the (2 × 2)-3NO structure is indeed the most stable adsorption structure at high pressures. Contrary to recent suggestions in the literature, we therefore conclude that we find no evidence for a (3 × 3)-7NO structure on Pd(111) at high NO pressure.
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https://lup.lub.lu.se/record/0b49d800-1a49-472b-a1d2-25b1551f964d
- author
- Vang, Ronnie T. ; Wang, Jian Guo ; Knudsen, Jan LU ; Schnadt, Joachim LU ; Laegsgaard, Erik ; Stensgaard, Ivan and Besenbacher, Flemming
- publishing date
- 2005-08-04
- type
- Contribution to journal
- publication status
- published
- in
- Journal of Physical Chemistry B
- volume
- 109
- issue
- 30
- pages
- 4 pages
- publisher
- The American Chemical Society (ACS)
- external identifiers
-
- scopus:23844468151
- ISSN
- 1520-6106
- DOI
- 10.1021/jp052519t
- language
- English
- LU publication?
- no
- id
- 0b49d800-1a49-472b-a1d2-25b1551f964d
- date added to LUP
- 2018-08-07 22:05:15
- date last changed
- 2022-02-23 02:16:52
@article{0b49d800-1a49-472b-a1d2-25b1551f964d, abstract = {{<p>Using a combination of scanning tunneling microscopy (STM) and density functional theory (DFT) calculations, we study the adsorption structure of NO on Pd(111) at pressures of up to 720 Torr. From atomically resolved STM images, we identify, at high pressures, only the (2 × 2)-3NO structure, which is identical with the highest NO-coverage structure found at low pressure and low temperature. DFT calculations confirm that the (2 × 2)-3NO structure is indeed the most stable adsorption structure at high pressures. Contrary to recent suggestions in the literature, we therefore conclude that we find no evidence for a (3 × 3)-7NO structure on Pd(111) at high NO pressure.</p>}}, author = {{Vang, Ronnie T. and Wang, Jian Guo and Knudsen, Jan and Schnadt, Joachim and Laegsgaard, Erik and Stensgaard, Ivan and Besenbacher, Flemming}}, issn = {{1520-6106}}, language = {{eng}}, month = {{08}}, number = {{30}}, pages = {{14262--14265}}, publisher = {{The American Chemical Society (ACS)}}, series = {{Journal of Physical Chemistry B}}, title = {{The adsorption structure of NO on Pd(111) at high pressures studied by STM and DFT}}, url = {{http://dx.doi.org/10.1021/jp052519t}}, doi = {{10.1021/jp052519t}}, volume = {{109}}, year = {{2005}}, }