First principles studies for the interaction of hydrogen with a Li(100) surface
We investigate the interaction of molecular/atomic hydrogen with the Li surface. We calculate the potential energy surfaces (PESs) for H2 and the potential energy curves (PECs) for H at symmetric sites on a Li(100) surface within the density functional theory. The PESs results show the dependence of...
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| Main Authors: | , , , , |
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| Format: | text |
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Animo Repository
2005
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| Subjects: | |
| Online Access: | https://animorepository.dlsu.edu.ph/faculty_research/1256 https://animorepository.dlsu.edu.ph/context/faculty_research/article/2255/type/native/viewcontent |
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| Institution: | De La Salle University |