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Surface water crystallographic estimate

When the CNDO method was applied to studies of water-metal systems, the results obtained seemed very different. In studies by Kuznetsov et on the adsorption of the H2O monomer by several metals, Cu, Ag, Au, Zn, Cd and Hg, in which the different crystallographic orientations of the surface for each metal were considered, surprisingly the hollow site was reported to be preferred. The stabilization energy in this work was reported to be extremely strong, from -66 kJmol for mercury up to -296 kJmol for gold. These values seem to be severe overestimates when compared with experimental estimates of the energy of approximately -40 to —60kJmol for the non-dissociative adsorption of the water molecule on metals.f ... [Pg.1160]

See other pages where Surface water crystallographic estimate is mentioned: [Pg.409]    [Pg.40]    [Pg.311]    [Pg.233]    [Pg.213]    [Pg.139]    [Pg.144]    [Pg.134]    [Pg.213]    [Pg.202]    [Pg.2]    [Pg.121]    [Pg.140]    [Pg.28]    [Pg.21]    [Pg.255]   
See also in sourсe #XX -- [ Pg.127 ]



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