Abstract
The associative desorption of H2(O) on a graphite(0001) surface via an Eley-Rideal mechanism has been studied using a time-dependent wave packet method. In particular, the importance of a coverage of other light H atoms on the surface was investigated. We find that the H2 molecules are formed less vibrationally excited than in previous studies with no surface coverage of H atoms. We also find that the presence of other (nonreactive) hydrogen atoms does have an effect on the formation probabilities of H2(O), especially at low translational energies of the incoming H atom and at resonances.
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