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Surface coverage effects on the formation of molecular hydrogen on a graphite surface via an Eley-Rideal mechanism

Abstract:
The associative desorption of H2(v) 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 H 2(v), especially at low translational energies of the incoming H atom and at resonances.
Publication status:
Published

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Publisher copy:
10.1021/jp035809n

Authors


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Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Physical & Theoretical Chem
Role:
Author


Journal:
JOURNAL OF PHYSICAL CHEMISTRY A More from this journal
Volume:
107
Issue:
50
Pages:
10862-10871
Publication date:
2003-12-18
DOI:
EISSN:
1520-5215
ISSN:
1089-5639


Language:
English
Pubs id:
pubs:38867
UUID:
uuid:d5a80bf6-41e8-4953-a04a-25aefec5348e
Local pid:
pubs:38867
Source identifiers:
38867
Deposit date:
2013-11-17

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