Abstract
Using very low energy electron diffraction the geometrical position of hydrogen adsorbed on Ru(001) has been studied. By comparison of calculations with experimental results for saturation coverage most of the high symmetry adsorption sites can be ruled out: hydrogen on Ru(001) cannot sit in top, bridge, or 3-fold hcp sites, but occupation of the 3-fold fcc sites and a 1:1 hydrogen to ruthenium ratio on the surface are favoured. Underlayer models and 2:1 H Ru ratios can also be clearly excluded. The best agreement is obtained with a HRu layer distance of 1.10 ± 0.06 Å (corresponding to a H-Ru bond length of 1.91 Å) and with about 2% contraction of the RuRu distance between the first and second atomic layers. The strong sensitivity of the VLEED method for the geometrical site of hydrogen on Ru(001) is shown to be mainly due to the extinction of the unoccupied surface state at 11.1 eV above the vacuum level by hydrogen.
Original language | English |
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Pages (from-to) | 237-251 |
Number of pages | 15 |
Journal | Surface Science |
Volume | 180 |
Issue number | 1 |
DOIs | |
State | Published - 1 Feb 1987 |