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Theoretical study of energy transfer in molecule--solid collisions: H/sub 2/, D/sub 2/+Ag(111)

Journal Article · · J. Chem. Phys.; (United States)
OSTI ID:7333725
A quantum mechanical calculation of the angular distribution of H/sub 2/ and D/sub 2/ scattered from a Ag(111) surface is presented. Energy transfer between the gas and the solid is included using an isotropic Debye model of the solid. The coupling of the rotational levels of H/sub 2/, D/sub 2/ with the phonon modes of the solid is investigated treating the molecules as rigid rotors. The results indicate that the mass difference between H/sub 2/ and D/sub 2/ is more important than the different rotational energy spacing in determining the angular scattering pattern. Differences between the present results and classical ''cubes'' models are observed and compared with experimental results. (AIP)
Research Organization:
Battelle Columbus Laboratories, Columbus, Ohio 43201
OSTI ID:
7333725
Journal Information:
J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 65:9; ISSN JCPSA
Country of Publication:
United States
Language:
English