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U2 center, adsorption, coadsorption and epitaxial growth of Cu, Ag and Au on LiH(0 0 1) surface: DFT calculations

✍ Scribed by A.S. Shalabi; A.M. El-Mahdy; Kh.M. Eid; M.A. Kamel; A.A. El-Barbary


Book ID
117215886
Publisher
Elsevier Science
Year
2001
Tongue
English
Weight
243 KB
Volume
488
Category
Article
ISSN
0039-6028

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The interactions of H and H 2 with W(1 0 0)-c(2 Γ‚ 2)Cu and W(1 0 0) have been investigated through density functional theory (DFT) calculations to elucidate the effect of Cu atoms on the reactivity of the alloy. Cu atoms do not alter the attraction towards top-W sites felt by H 2 molecules approachi