Interaction Potentials of Simple Nonpolar Molecules with Boron Nitride
- 15 December 1965
- journal article
- conference paper
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 43 (12) , 4364-4367
- https://doi.org/10.1063/1.1696698
Abstract
The interaction energies of Ne, Ar, Kr, Xe, N2, and CH4 near a semi‐infinite hexagonal boron nitride lattice at the potential minimum have been calculated using lattice sums of a (6–12) potential. Potential constants were obtained from empirical values corresponding to like‐molecule interactions and by the use of combination rules. Literature values for the gas‐molecule parameters were used, and the necessary constants for boron nitride were found from its solid‐state physical properties. Comparisons are made with other calculations and with experimental results.Keywords
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