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- W1994855595 abstract "The structure of Pd(111)+(3×3)R30°-CO has been refined using automated tensor LEED, especially to optimize adsorbate-induced relaxations in the substrate. The re-analysis considerably improves the best fit to experiment, while retaining most of the detailed features, compared with the last structural analysis performed on this system by ‘conventional’ quantitative low-energy electron diffraction (LEED). In particular, this study confirms that CO occupies face-centered cubic hollow sites. Relative to the ideal bulk structure, it finds an expansion of the top PdPd interlayer spacing by 0.05±0.04 Å, a negligible expansion of the second PdPd interlayer spacing by 0.01±0.06 Å, and a possible lateral enlargement by 0.1±0.1 Å of the triangle of palladium atoms around the adsorption site. A somewhat small CO interlayer spacing of 1.11±0.04 Å is observed, and no unambiguous CO tilt from the surface normal is detected." @default.
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- W1994855595 date "2000-06-01" @default.
- W1994855595 modified "2023-09-27" @default.
- W1994855595 title "Refinement of the structure using automated tensor LEED" @default.
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- W1994855595 doi "https://doi.org/10.1016/s0039-6028(00)00471-4" @default.
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