Spohr, Eckhard; Wolfsberg, Max:
Computer simulation studies of IR laser excitation of water on a metal surface
In: Surface Science Letters, Jg. 253 (1991), Heft 1-3, S. L395 - L401
1991Artikel/Aufsatz in ZeitschriftOA Grün
ChemieFakultät für Chemie
Damit verbunden: 1 Publikation(en)
Titel in Englisch:
Computer simulation studies of IR laser excitation of water on a metal surface
Autor*in:
Spohr, EckhardUDE
GND
143257005
LSF ID
49123
ORCID
0000-0001-8148-7575ORCID iD
Sonstiges
der Hochschule zugeordnete*r Autor*in
;
Wolfsberg, Max
Erscheinungsjahr:
1991
Open Access?:
OA Grün
DuEPublico 1 ID
Sprache des Textes:
Englisch

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.