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The influence of incommensurability on the long-range periodicity of the Pd(100)-(5×5)R27°-PdO(101)

Shipilin, Mikhail LU ; Merte, Lindsay R. LU ; Gustafson, Johan LU ; Hejral, Uta LU ; Martin, Natalia M.; Zhang, Chu LU ; Franz, Dirk ; Kilic, Volkan and Lundgren, Edvin LU (2017) In Surface Science 660. p.1-8
Abstract

The structural model of the (5×5)R27°-PdO(101) surface oxide grown on Pd(100) has been proposed and refined by a number of authors over more than a decade. In the current contribution we discuss the long-range periodicity of this structure arising along one of the crystallographic directions due to its incommensurability with the substrate. Analyzing the results of surface sensitive diffraction studies, we determined a slight distortion of the previously reported perfect (5×5)R27° surface oxide unit cell. Considering it, we were able to achieve both qualitatively and quantitatively better fit to the experimental diffraction data than it was possible for the perfect structure. Further, taking into account the experimentally obtained... (More)

The structural model of the (5×5)R27°-PdO(101) surface oxide grown on Pd(100) has been proposed and refined by a number of authors over more than a decade. In the current contribution we discuss the long-range periodicity of this structure arising along one of the crystallographic directions due to its incommensurability with the substrate. Analyzing the results of surface sensitive diffraction studies, we determined a slight distortion of the previously reported perfect (5×5)R27° surface oxide unit cell. Considering it, we were able to achieve both qualitatively and quantitatively better fit to the experimental diffraction data than it was possible for the perfect structure. Further, taking into account the experimentally obtained scanning tunneling microscopy data and closely examining high-resolution patterns recorded by means of high-energy surface X-ray diffraction, we developed a qualitative structural model based on a larger non-orthogonal surface unit cell to shed more light on the long-range order of the PdO(101) surface oxide. The model comprises a shift of the atoms of the PdO perpendicularly to the direction of the incommensurability to correct for it. This structural model reproduces the fine details of the high-resolution diffraction patterns and qualitatively explains the periodic stripes of structural distortion observed in the images recorded by a scanning tunneling microscope.

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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
CO oxidation, Heterogeneous catalysis, Pd, PdO, STM, Surface X-ray diffraction, Surfaces
in
Surface Science
volume
660
pages
8 pages
publisher
Elsevier
external identifiers
  • scopus:85012884016
  • wos:000398867800001
ISSN
0039-6028
DOI
10.1016/j.susc.2017.01.009
language
English
LU publication?
yes
id
e8665fbe-eb3e-477c-bb50-422aec2f21f7
date added to LUP
2017-02-27 08:12:56
date last changed
2018-01-07 11:52:49
@article{e8665fbe-eb3e-477c-bb50-422aec2f21f7,
  abstract     = {<p>The structural model of the (5×5)R27°-PdO(101) surface oxide grown on Pd(100) has been proposed and refined by a number of authors over more than a decade. In the current contribution we discuss the long-range periodicity of this structure arising along one of the crystallographic directions due to its incommensurability with the substrate. Analyzing the results of surface sensitive diffraction studies, we determined a slight distortion of the previously reported perfect (5×5)R27° surface oxide unit cell. Considering it, we were able to achieve both qualitatively and quantitatively better fit to the experimental diffraction data than it was possible for the perfect structure. Further, taking into account the experimentally obtained scanning tunneling microscopy data and closely examining high-resolution patterns recorded by means of high-energy surface X-ray diffraction, we developed a qualitative structural model based on a larger non-orthogonal surface unit cell to shed more light on the long-range order of the PdO(101) surface oxide. The model comprises a shift of the atoms of the PdO perpendicularly to the direction of the incommensurability to correct for it. This structural model reproduces the fine details of the high-resolution diffraction patterns and qualitatively explains the periodic stripes of structural distortion observed in the images recorded by a scanning tunneling microscope.</p>},
  author       = {Shipilin, Mikhail and Merte, Lindsay R. and Gustafson, Johan and Hejral, Uta and Martin, Natalia M. and Zhang, Chu and Franz,  Dirk  and Kilic,  Volkan  and Lundgren, Edvin},
  issn         = {0039-6028},
  keyword      = {CO oxidation,Heterogeneous catalysis,Pd,PdO,STM,Surface X-ray diffraction,Surfaces},
  language     = {eng},
  month        = {06},
  pages        = {1--8},
  publisher    = {Elsevier},
  series       = {Surface Science},
  title        = {The influence of incommensurability on the long-range periodicity of the Pd(100)-(5×5)R27°-PdO(101)},
  url          = {http://dx.doi.org/10.1016/j.susc.2017.01.009},
  volume       = {660},
  year         = {2017},
}