H2 dissociative adsorption on Mg, Ti, Ni, Pd and La surfaces
We calculate the corresponding two-dimensional (2D) potential energy surfaces (PESs) for one fixed lateral H2 center of mass position and one H2 orientation on Mg(0001), Ti(0001) Ni(111), Pd(111) and La(0001) surfaces within the density functional theory. From the results, on the Ti, Ni, Pd and La s...
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| Main Authors: | , , , |
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| Format: | text |
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Animo Repository
2004
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| Online Access: | https://animorepository.dlsu.edu.ph/faculty_research/1415 https://animorepository.dlsu.edu.ph/context/faculty_research/article/2414/type/native/viewcontent |
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| Institution: | De La Salle University |