The adsorption of Xe and Ar on quasicrystalline Al-Ni-Co

Raluca A. Trasca, Nicola Ferralis, Renee D. Diehl, Milton W. Cole

Research output: Contribution to journalArticle

20 Citations (Scopus)

Abstract

An interaction potential energy between an adsorbate (Xe and Ar) and the ten-fold Al-Ni-Co quasicrystal is computed by summing over all adsorbate-substrate interatomic interactions. The quasicrystal atoms' coordinates are obtained from LEED experiments, and the Lennard-Jones parameters of Xe-Al, Xe-Ni and Xe-Co are found using semiempirical combining rules. The resulting potential energy function of position is highly corrugated. Monolayer adsorption of Xe and Ar on the quasicrystal surface is investigated in two cases: (1) in the limit of low coverage (Henry's law regime), and (2) at somewhat larger coverage, when interactions between adatoms are considered through the second virial coefficient, CAAS. A comparison with adsorption on a flat surface indicates that the corrugation enhances the effect of the Xe-Xe (Ar-Ar) interactions. The theoretical results for the low coverage adsorption regime are compared to experimental (LEED isobar) data.

Original languageEnglish (US)
Pages (from-to)S2911-S2921
JournalJournal of Physics Condensed Matter
Volume16
Issue number29
DOIs
StatePublished - Jul 28 2004

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Quasicrystals
Adsorbates
Adsorption
adsorption
Potential energy functions
Adatoms
potential energy
interactions
Potential energy
Henry law
isobars
Monolayers
virial coefficients
adatoms
flat surfaces
Atoms
Substrates
Experiments
atoms

All Science Journal Classification (ASJC) codes

  • Materials Science(all)
  • Condensed Matter Physics

Cite this

Trasca, R. A., Ferralis, N., Diehl, R. D., & Cole, M. W. (2004). The adsorption of Xe and Ar on quasicrystalline Al-Ni-Co. Journal of Physics Condensed Matter, 16(29), S2911-S2921. https://doi.org/10.1088/0953-8984/16/29/006
Trasca, Raluca A. ; Ferralis, Nicola ; Diehl, Renee D. ; Cole, Milton W. / The adsorption of Xe and Ar on quasicrystalline Al-Ni-Co. In: Journal of Physics Condensed Matter. 2004 ; Vol. 16, No. 29. pp. S2911-S2921.
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Trasca, RA, Ferralis, N, Diehl, RD & Cole, MW 2004, 'The adsorption of Xe and Ar on quasicrystalline Al-Ni-Co', Journal of Physics Condensed Matter, vol. 16, no. 29, pp. S2911-S2921. https://doi.org/10.1088/0953-8984/16/29/006

The adsorption of Xe and Ar on quasicrystalline Al-Ni-Co. / Trasca, Raluca A.; Ferralis, Nicola; Diehl, Renee D.; Cole, Milton W.

In: Journal of Physics Condensed Matter, Vol. 16, No. 29, 28.07.2004, p. S2911-S2921.

Research output: Contribution to journalArticle

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N2 - An interaction potential energy between an adsorbate (Xe and Ar) and the ten-fold Al-Ni-Co quasicrystal is computed by summing over all adsorbate-substrate interatomic interactions. The quasicrystal atoms' coordinates are obtained from LEED experiments, and the Lennard-Jones parameters of Xe-Al, Xe-Ni and Xe-Co are found using semiempirical combining rules. The resulting potential energy function of position is highly corrugated. Monolayer adsorption of Xe and Ar on the quasicrystal surface is investigated in two cases: (1) in the limit of low coverage (Henry's law regime), and (2) at somewhat larger coverage, when interactions between adatoms are considered through the second virial coefficient, CAAS. A comparison with adsorption on a flat surface indicates that the corrugation enhances the effect of the Xe-Xe (Ar-Ar) interactions. The theoretical results for the low coverage adsorption regime are compared to experimental (LEED isobar) data.

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