Atomic hydrogen adsorption and desorption on/from graphite via the armchair edge: A quantum dynamic study
This study investigates the quantum mechanical behavior of the adsorption and desorption of hydrogen atom on/from graphitevia the armchair edge. The adsorption and desorption probabilities of H are calculated using the coupled channel method via the Local Reflection (LORE) matrix and are plottedagai...
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| Main Authors: | , , , |
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| Format: | text |
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Animo Repository
2013
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| Subjects: | |
| Online Access: | https://animorepository.dlsu.edu.ph/faculty_research/11679 |
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| Institution: | De La Salle University |
| Summary: | This study investigates the quantum mechanical behavior of the adsorption and desorption of hydrogen atom on/from graphitevia the armchair edge. The adsorption and desorption probabilities of H are calculated using the coupled channel method via the Local Reflection (LORE) matrix and are plottedagainst the initial translational energy of H. The adsorption probability plot shows a non-activated reaction indicating that hydrogen is easily adsorbed on the surfaceof the graphite sheets. On the other hand, the desorption probability plot shows that desorption of H from the graphic sheets is an activated process with a barrier height of 4.19 eV. Due to this high barrier, desorption of the adsorbed H atom from the surface of the graphite sheets at operating temperatures (300-1500 K) of conventional fuel cells is unlikely to occur. |
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