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Hydrogen adsorption on the (1010) surfaces of Ru and Re leads to the formation of c(2×2)-3H phases. As determined by quantitative low-energy electron diffraction (LEED) and density functional theory calculations, hydrogen atoms, as expected, occupy threefold coordinated hcp sites along the densely packed rows and the unexpected short-bridge sites along the ridges in both c(2×2) phases. The Ru and Re substrates reconstruct only weakly and in a very similar fashion under hydrogen chemisorption. Most notably, there is a buckling in the third substrate layer of about 0.06 A. Probably (though not outside the limits of error), there are also slightly lateral displacements (0.02 A) of top-layer substrate atoms which are bridge-coordinated to hydrogen. The metal–hydrogen bond lengths determined for both surfaces correspond to hydrogen radii in the expected range of 0.4–0.7 A.

Anomalous hydrogen adsorption sites found for the c(2×2)-3H phases formed on the Re(101̄0) and Ru(101̄0) surfaces