Abstract
The competition between desorption and relaxation of vibrationally excited CO adsorbed on a series of model surfaces is examined theoretically using a quantum mechanical description of the dynamics. This study complements that reported in the preceding paper which studied the classical mechanics of these processes. Quantitative differences between the quantal and classical results are seen in the rate constants for the various energy transfer processes. Moreover, qualitative differences are seen in the trend in the dynamics as the Debye frequency of the model surface is increased. The differences in the various rate constants in the quantal and classical calculations lead to an unusual "quantum effect" in which the trend in the energy flow with increasing Debye frequency is in different directions. Relaxation of the excited adsorbate is the dominant trend in the classical mechanics; thermal desorption of the excited adsorbate is the dominant trend in the quantal calculations.
| Original language | English |
|---|---|
| Pages (from-to) | 4400-4412 |
| Number of pages | 13 |
| Journal | Journal of Chemical Physics |
| Volume | 93 |
| Issue number | 6 |
| Publication status | Published - 1990 |
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ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics
Cite this
Desorption of vibrationally excited adsorbates in competition with relaxation : A quantal picture. / Guan, Y.; Muckerman, James; Uzer, T.
In: Journal of Chemical Physics, Vol. 93, No. 6, 1990, p. 4400-4412.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Desorption of vibrationally excited adsorbates in competition with relaxation
T2 - A quantal picture
AU - Guan, Y.
AU - Muckerman, James
AU - Uzer, T.
PY - 1990
Y1 - 1990
N2 - The competition between desorption and relaxation of vibrationally excited CO adsorbed on a series of model surfaces is examined theoretically using a quantum mechanical description of the dynamics. This study complements that reported in the preceding paper which studied the classical mechanics of these processes. Quantitative differences between the quantal and classical results are seen in the rate constants for the various energy transfer processes. Moreover, qualitative differences are seen in the trend in the dynamics as the Debye frequency of the model surface is increased. The differences in the various rate constants in the quantal and classical calculations lead to an unusual "quantum effect" in which the trend in the energy flow with increasing Debye frequency is in different directions. Relaxation of the excited adsorbate is the dominant trend in the classical mechanics; thermal desorption of the excited adsorbate is the dominant trend in the quantal calculations.
AB - The competition between desorption and relaxation of vibrationally excited CO adsorbed on a series of model surfaces is examined theoretically using a quantum mechanical description of the dynamics. This study complements that reported in the preceding paper which studied the classical mechanics of these processes. Quantitative differences between the quantal and classical results are seen in the rate constants for the various energy transfer processes. Moreover, qualitative differences are seen in the trend in the dynamics as the Debye frequency of the model surface is increased. The differences in the various rate constants in the quantal and classical calculations lead to an unusual "quantum effect" in which the trend in the energy flow with increasing Debye frequency is in different directions. Relaxation of the excited adsorbate is the dominant trend in the classical mechanics; thermal desorption of the excited adsorbate is the dominant trend in the quantal calculations.
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UR - http://www.scopus.com/inward/citedby.url?scp=0001613719&partnerID=8YFLogxK
M3 - Article
AN - SCOPUS:0001613719
VL - 93
SP - 4400
EP - 4412
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
SN - 0021-9606
IS - 6
ER -