The changes in small metal cluster size with adsorption: Be13Xn, X = H, O, S, Cl and F

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Abstract

The Be-Be and Be-adsorbate distances are optimized for small Be13Xn clusters, assuming only two independent degrees of freedom. Results for chemisorption into the three-fold hollows are quite similar to those found for small metal clusters on supports. It is predicted that Cl and F will have the same effect on the metal-metal bond lengths, and so will O and S.

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