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Interaction of oxygen and hydrogen with palladium

✍ Scribed by P. Légaré; L. Hilaire; G. Maire; G. Krill; A. Amamou


Publisher
Elsevier Science
Year
1981
Weight
58 KB
Volume
107
Category
Article
ISSN
0167-2584

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We investigated theoretically relaxations of a few surface layers of palladium (001) by a calculation of the total energy based on the real-space tight-binding framework. We discussed the behaviors of H atoms in vacuum, on the (001) surface and in the bulk. The diffusion barrier height of H atoms in