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Phys. Fluids 18 (2), 022103-10 (Feb 2006)
Chemistry of Materials 21 (8), 1425-30 (28 Apr 2009)
Chemical Physics 323 (2-3), 383-90 (Apr 2006)
First-principles calculations based on DFT-GGA method have been performed on rubidium adsorption on Si(0�0�1)(2�נ1) surface. The atomic and electronic structures of Si(0�0�1)(2�נ1)-Rb have been calculated and compared with those of Cs adsorption [H.Y. Xiao, X.T. Zu, Y.F. Zhang, L. Yang, J. Chem. Phys. 122 (2005) 174704]. It turns out that the saturation coverage of Rb is one monolayer rather than half a monolayer, similar to that of Cs adsorption. Comparison of Rb on Si(0�0�1)(2�נ1) with Cs adsorption showed that at saturation coverage larger alkali metal (AM) atom leads to stronger AM-AM interaction and weaker AM-Si interaction. However, for low coverage of 0.25 and 0.5�ML the Rb-Si interaction is surprisingly weaker than Cs-Si interaction. Further detailed analysis suggested that this is a consequence of depolarization effect with decreasing AM size below 1�ML coverage. For the saturation coverage, the dispersion curves show that the surface is of semi-conducting character. This result does not support the direct and inverse angle-resolved photoemission investigation where a metallization is observed at saturation coverage.
Chemical Communications (15), 2026 (2009)
Angewandte Chemie International Edition 48 (14), 2500 (2009)
Industrial & Engineering Chemistry Research 48 (5), 2355-71 (04 Mar 2009)
Journal of the American Chemical Society 131 (10), 3442-3 (18 Mar 2009)
Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films 17 (5), 2663-7 (1999)
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