Comparative study of H2 adsorption on W(
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A.E. Martínez; W. Dong; H.F. Busnengo
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Article
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2007
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Elsevier Science
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English
⚖ 736 KB
The interactions of H and H 2 with W(1 0 0)-c(2 Â 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