Document Type
Article
Date of Original Version
1975
Department
Chemistry
Abstract
The Gordon-Kim local density method is applied to the calculation of the interaction energy of helium, neon, argon, and krypton with the basal plane of graphite. In all cases, the binding site is found to be above the center of a hexagon, but the barrier to migration to other sites is less than 50 cal/ mole. Comparisons are made with other studies on these systems, and the role of non-two-body additive effects is discussed.
Citation/Publisher Attribution
Freeman, D. L. (1975). The Interaction of Rare Gas Atoms with Graphite Surfaces. I. Single Adatom Energies, J. Chem. Phys., 62(3), 941-949. doi: 10.1063/1.430547
Available at: https://doi.org/10.1063/1.430547
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Terms of Use
All rights reserved under copyright.
Publisher Statement
© 1975 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in D.L. Freeman, “The Interaction of Rare Gas Atoms with Graphite Surfaces. I. Single Adatom Energies,” J. Chem. Phys., 62, 941-949 (1975) and may be found at http://dx.doi.org/10.1063/1.430547