Potential energy of hydrogen atom motion on Pd(111) surface and in subsurface: A first principles calculation
We calculate the adiabatic potential energy for hydrogen atom motion on a Pd(111) surface and in a subsurface within the framework of the density functional theory in order to understand the diffusion mechanism of a hydrogen atom from the Pd(111) surface to the subsurface. According to the calculate...
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| Main Authors: | , , , , , |
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| Format: | text |
| Published: |
Animo Repository
2007
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| Subjects: | |
| Online Access: | https://animorepository.dlsu.edu.ph/faculty_research/3746 https://animorepository.dlsu.edu.ph/context/faculty_research/article/4748/type/native/viewcontent/1.2749295 |
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| Institution: | De La Salle University |