Jump to main content
Jump to site search

Issue 21, 2019
Previous Article Next Article

Adsorption site, orientation and alignment of NO adsorbed on Au(100) using 3D-velocity map imaging, X-ray photoelectron spectroscopy and density functional theory

Author affiliations

Abstract

Nitric oxide adsorption on a Au(100) single crystal has been investigated to identify the type of adsorption, the adsorption site, and the orientation and alignment of the adsorbed NO relative to the surface. This was done using a combination of 3D-surface velocity map imaging, near-ambient pressure X-ray photoelectron spectroscopy, and density functional theory. NO was observed to be molecularly adsorbed on gold at ∼200 K. Very narrow angular distributions and cold rotational distributions of photodesorbed NO indicate that NO adsorbs on high-symmetry sites on the Au crystal, with the N–O bond axis close to the surface normal. Our density functional theory calculations show that NO preferentially adsorbs on the symmetric bridge (2f) site, which ensures efficient overlap of the NO π* orbital with the orbitals on the two neighbouring Au atoms, and with the N–O bond axis aligned along the surface normal, in agreement with our conclusions from the rotational state distributions. The combination of XPS, which reveals the orientation of NO on gold, with 3D-surface velocity map imaging and density functional theory thus allowed us to determine the adsorption site, orientation and alignment of nitric oxide adsorbed on Au(100).

Graphical abstract: Adsorption site, orientation and alignment of NO adsorbed on Au(100) using 3D-velocity map imaging, X-ray photoelectron spectroscopy and density functional theory

Back to tab navigation

Article information


Submitted
08 Apr 2019
Accepted
06 May 2019
First published
07 May 2019

This article is Open Access

Phys. Chem. Chem. Phys., 2019,21, 10939-10946
Article type
Paper

Adsorption site, orientation and alignment of NO adsorbed on Au(100) using 3D-velocity map imaging, X-ray photoelectron spectroscopy and density functional theory

S. Abujarada, A. S. Walton, A. G. Thomas, U. K. Chohan and S. P. K. Koehler, Phys. Chem. Chem. Phys., 2019, 21, 10939
DOI: 10.1039/C9CP01963D

This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence. Material from this article can be used in other publications provided that the correct acknowledgement is given with the reproduced material and it is not used for commercial purposes.

Reproduced material should be attributed as follows:

  • For reproduction of material from NJC:
    [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the Centre National de la Recherche Scientifique (CNRS) and the RSC.
  • For reproduction of material from PCCP:
    [Original citation] - Published by the PCCP Owner Societies.
  • For reproduction of material from PPS:
    [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the European Society for Photobiology, the European Photochemistry Association, and RSC.
  • For reproduction of material from all other RSC journals:
    [Original citation] - Published by The Royal Society of Chemistry.

Information about reproducing material from RSC articles with different licences is available on our Permission Requests page.


Social activity

Search articles by author

Spotlight

Advertisements