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Träfflista för sökning "L773:2469 9969 OR L773:2469 9950 srt2:(1980-1989)"

Search: L773:2469 9969 OR L773:2469 9950 > (1980-1989)

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1.
  • Mattsson, A, et al. (author)
  • MODEL STUDIES OF THE CHEMISORPTION OF HYDROGEN AND OXYGEN ON CU(100)
  • 1987
  • In: Physical Review B. - 2469-9969 .- 2469-9950. ; 36:14, s. 7389-7401
  • Journal article (peer-reviewed)abstract
    • Atomic chemisorption of hydrogen and oxygen on Cu(100) has been studied using up to 25 copper atoms as a model of the surface. The computational procedure used involves a reduction of the metal atoms to one-electron systems and extensive configuration-interaction calculations of the adsorbate and the cluster-adsorbate bonds. The calculations support the fourfold hollow site as the preferred chemisorption site for oxygen, with a barrier-to-surface migration of 25 kcal/mol. The calculated chemisorption energies for both hydrogen and oxygen, 51 and 90 kcal/mol, respectively, are in good agreement with experimental estimates (56 kcal/mol for hydrogen and 97 kcal/mol for oxygen). The effects of reducing the metal atoms to one-electron systems have been investigated through comparisons with all-electron calculations for Cu5H and Cu5O at the self-consistent-field level and by comparisons to previous calculations on Cu5Cl and Cu9Cl in which the 3d electrons were treated explicitly.
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2.
  • Slack, Glen A. (author)
  • Thermal conductivity of ice
  • 1980
  • In: Physical Review B. - : American Physical Society. - 2469-9950 .- 2469-9969 .- 0163-1829. ; 22:6, s. 3065-3071
  • Journal article (peer-reviewed)abstract
    • The thermal conductivity of ice, the low-pressure Ih phase of H2O, is reviewed and good agreement is found with the theoretical calculations of its absolute value and temperature dependence. Measurements under pressure show an anomalous decrease in conductivity with decreasing molar volume. This is explained by the negative Grüneisen parameter for the transverse acoustic modes which dominate the heat transport. The conductivity behaves predominantly like that of a wurtzite lattice of rigid mass points with an atomic mass of 18. Some traces of the interaction of the lattice phonons with the higher-lying librational modes can be seen. The volume dependence of the conductivity of the higher-pressure phases of ice and of NH4F is related to that of Ih ice.
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  • Result 1-2 of 2
Type of publication
journal article (2)
Type of content
peer-reviewed (2)
Author/Editor
Siegbahn, Per E. M. (1)
Mattsson, A (1)
Panas, Itai, 1959 (1)
Slack, Glen A. (1)
Wahlgren, Ulf (1)
University
Umeå University (1)
Chalmers University of Technology (1)
Language
English (2)
Research subject (UKÄ/SCB)
Natural sciences (2)

Year

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