Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
115 (2001), S. 9513-9518
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
The activation energy of desorption of molecules adsorbed on crystal surfaces is defined by the interaction potential. This potential is reduced for finite temperature because of phonon excitations of the crystal surface. Moreover, rotations of molecules relative to the crystal surface contribute to the thermal reduction of the activation energy. As an application we consider organic phosphines on a rhodium surface. We interpolate the interaction by the Morse potential with parameters fitted to data obtained by density functional theory. The theoretical results are compared to temperature-programmed desorption experiments of tricyclohexylphosphine adsorbates on the rhodium crystal surface. The activation energy of desorption of the monolayers are calculated from temperature programmed desorption studies using the Redhead equation. © 2001 American Institute of Physics.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.1389277
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