Chemisorption geometry of NO on Rh(111) by X-ray photoelectron diffraction

Y. J. Kim, S. Thevuthasan, G. S. Herman, C. H F Peden, S. A. Chambers, D. N. Belton, H. Permana

Research output: Contribution to journalArticle

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Abstract

The adlayer structure of (2×2)-3NO on Rh(111) has been investigated by high-energy, scanned-angle X-ray photoelectron diffraction (XPD) in conjunction with single scattering cluster theory and R-factor analysis. In addition, a plausible adlayer registry, consistent with previously published HREELS data, is deduced by means of physical reasoning. The resulting structural model consists of NO bound to atop, three-fold hollow fee, and three-fold hollow hcp sites through the N atom with an NO bond length of 1.15 Å. NO molecules at all three sites within the adlayer are oriented normal to the surface. The Z coordinates (Z being defined as perpendicular to the surface) of atop and hollow-site NO molecules relative to the top layer of Rh atoms differ by 0.5 Å, with hollow-site NO being bound more closely to the substrate. This structure differs considerably from one proposed previously by a LEED I-V analysis in both the site occupancy and the spacing of NO molecules within the adlayer.

Original languageEnglish
Pages (from-to)269-279
Number of pages11
JournalSurface Science
Volume359
Issue number1-3
Publication statusPublished - 1 Jul 1996
Externally publishedYes

Fingerprint

Chemisorption
Photoelectrons
chemisorption
hollow
photoelectrons
Diffraction
X rays
Molecules
Geometry
R388
geometry
diffraction
Atoms
x rays
Bond length
Factor analysis
molecules
factor analysis
Scattering
atoms

Keywords

  • Nitrogen oxides
  • Photoelectron diffraction
  • Rhodium
  • Solid-gas interfaces
  • Surface chemical reaction

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Condensed Matter Physics
  • Surfaces and Interfaces

Cite this

Kim, Y. J., Thevuthasan, S., Herman, G. S., Peden, C. H. F., Chambers, S. A., Belton, D. N., & Permana, H. (1996). Chemisorption geometry of NO on Rh(111) by X-ray photoelectron diffraction. Surface Science, 359(1-3), 269-279.

Chemisorption geometry of NO on Rh(111) by X-ray photoelectron diffraction. / Kim, Y. J.; Thevuthasan, S.; Herman, G. S.; Peden, C. H F; Chambers, S. A.; Belton, D. N.; Permana, H.

In: Surface Science, Vol. 359, No. 1-3, 01.07.1996, p. 269-279.

Research output: Contribution to journalArticle

Kim, YJ, Thevuthasan, S, Herman, GS, Peden, CHF, Chambers, SA, Belton, DN & Permana, H 1996, 'Chemisorption geometry of NO on Rh(111) by X-ray photoelectron diffraction', Surface Science, vol. 359, no. 1-3, pp. 269-279.
Kim YJ, Thevuthasan S, Herman GS, Peden CHF, Chambers SA, Belton DN et al. Chemisorption geometry of NO on Rh(111) by X-ray photoelectron diffraction. Surface Science. 1996 Jul 1;359(1-3):269-279.
Kim, Y. J. ; Thevuthasan, S. ; Herman, G. S. ; Peden, C. H F ; Chambers, S. A. ; Belton, D. N. ; Permana, H. / Chemisorption geometry of NO on Rh(111) by X-ray photoelectron diffraction. In: Surface Science. 1996 ; Vol. 359, No. 1-3. pp. 269-279.
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AU - Permana, H.

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AB - The adlayer structure of (2×2)-3NO on Rh(111) has been investigated by high-energy, scanned-angle X-ray photoelectron diffraction (XPD) in conjunction with single scattering cluster theory and R-factor analysis. In addition, a plausible adlayer registry, consistent with previously published HREELS data, is deduced by means of physical reasoning. The resulting structural model consists of NO bound to atop, three-fold hollow fee, and three-fold hollow hcp sites through the N atom with an NO bond length of 1.15 Å. NO molecules at all three sites within the adlayer are oriented normal to the surface. The Z coordinates (Z being defined as perpendicular to the surface) of atop and hollow-site NO molecules relative to the top layer of Rh atoms differ by 0.5 Å, with hollow-site NO being bound more closely to the substrate. This structure differs considerably from one proposed previously by a LEED I-V analysis in both the site occupancy and the spacing of NO molecules within the adlayer.

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