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The adsorption structure of NO on Pd(111) at high pressures studied by STM and DFT

Vang, Ronnie T. ; Wang, Jian Guo ; Knudsen, Jan LU ; Schnadt, Joachim LU orcid ; Laegsgaard, Erik ; Stensgaard, Ivan and Besenbacher, Flemming (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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author
; ; ; ; ; and
publishing date
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}},
}