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Interactions between chemisorbed atoms: Oxygen on W(110)

J. Chem. Phys. 66, 2569 (1977); doi:10.1063/1.434254

Issue Date: 15 March 1977

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G. Ertl and D. Schillinger
Institut für Physikalische Chemie, Universität München, West Germany
Experimental LEED data on the 2×1 structure formed on W(110) by oxygen adsorption at coverages theta?0.5 are computer simulated by means of the Monte Carlo technique in terms of interactions between nearest and next-nearest neighbor adsorbed atoms. A minimum set of three (properly chosen) interaction energies was found to yield good agreement with experimental results, i.e., the variation of the relative intensity and angular width of the half-order overlayer beams with temperature and coverage. The pairwise interactions are of oscillatory character (i.e., changing sign from repulsive to attractive), have energies in the order of 1 kcal/mole, and fall off within 1–2 lattice spacings. They thus exhibit all the qualitative criteria of indirect interactions between adatoms as treated theoretically in the literature. The Journal of Chemical Physics is copyrighted by The American Institute of Physics.
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PACS

  • 82.65.My
    Physical chemistry Surface processes Sorption and accommodation coefficients
  • 61.14.Hg
    Structure of liquids and solids; crystallography Electron determination of structures Low-energy electron diffraction (LEED) and reflection high-energy electron diffraction (RHEED)
  • YEAR: 1977

PUBLICATION DATA

ISSN:
0021-9606 (print)   1089-7690 (online)
Publisher:
AIP is a member of CrossRef AIP

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