THE EFFECT OF SURFACE TEMPERATURE IN THE FRAGMENTATION OFH2AT SURFACES

G.A. Gates and S. Holloway
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G.A. Gates: Surface Science Research Centre, University of Liverpool, P.O. Box 147, Liverpool L69 3BX, UK
S. Holloway: Surface Science Research Centre, University of Liverpool, P.O. Box 147, Liverpool L69 3BX, UK

Surface Review and Letters (SRL), 1994, vol. 01, issue 04, 605-609

Abstract: A model calculation is presented using quantum wave packets that examines the fragmentation ofH2on a metal surface. We include two spatial dimensions in the calculation, the molecule-surface distance and the vibrational coordinate. Two electronic states are considered corresponding to molecular and atomic states. We have investigated the dynamics in our previous studies of this system which have shown that it is possible for quantum interference to occur giving rise to oscillations in the atomic fragmentation energy distributions. In these studies we have investigated the effect of potential topology and initial vibrational state on the atomic fragmentation. We now extend this model to include surface temperature by using a surface mass model which is analogous to a classical "cube" model. It is shown that including surface temperature does not wash out the interference and oscillations are still found. The temperature dependence of the atomic fragmentation probability is shown to be dependent on the potential topology.

Date: 1994
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DOI: 10.1142/S0218625X94000771

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