Hydrogen Atom Absorption in Pd(110): A density functional theory study
The absorption of H atom from the surface to the subsurface region of Pd(110) is investigated by employing density functional theory based calculations. The effect of the motion of the Pd atoms or the relaxation of the substrate atoms upon H absorption is identified by performing frozen lattice calc...
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| 格式: | text |
| 語言: | English |
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Animo Repository
2013
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| 在線閱讀: | https://animorepository.dlsu.edu.ph/etd_doctoral/362 |
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| 機構: | De La Salle University |
| 語言: | English |