Spohr, Eckhard; Wolfsberg, Max:
Computer simulation studies of IR laser excitation of water on a metal surface
1991
In: Surface Science / Letters, Jg. 253 (1991), Heft 1-3, S. L395 - L401
Artikel/Aufsatz in Zeitschrift / Fach: Chemie
Fakultät für Chemie
Titel:
Computer simulation studies of IR laser excitation of water on a metal surface
Autor(in):
Spohr, Eckhard im Online-Personal- und -Vorlesungsverzeichnis LSF anzeigen; Wolfsberg, Max
Erscheinungsjahr
1991
Erschienen in:
Surface Science / Letters, Jg. 253 (1991), Heft 1-3, S. L395 - L401
ISSN
DuEPublico ID
DOI
URN
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Abstract:

The study focuses on the excitation of water modes. The laser field is simulated as an oscillatory time-dependent external electrical field that interacts with the molecular dipoles. Unrealistically high field strengths of the order of 10?? V/m were used in order to observed significant energy absorption and also molecular desorption on the time scale from 10 to 20 ps. Frequencies of 400, 1700, and 3750 cm?? were chosen to excite the molecule in the librational, bending, and stretching modes, respectively. The rates for desorption of isolated molecules are substantially lower for excitation in the bending and stretching modes than for excitation in the librational modes. At higher adsorbate coverages, intermolecular energy transfer plays a major role in the behavior of molecules in the adsorbate layer.