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Using scanned-energy mode photoelectron diffraction (PhD) we have developed a two-stage methodology for the quantitative determination of the local geometry of molecular adsorbates on surfaces. The first stage involves the inversion of the experimental adsorbate photoelectron diffraction spectra using a direct method to obtain an @'image@' of the nearest neighbour substrate atoms. The underlying physics...
Using C 1s scanned-energy mode photoelectron diffraction based both on approximate @'direct@' methods and full multiple scattering modelling of spectra recorded in different emission angles covering a total spectral data range of 1200 eV, the local geometry of adsorbed ethylene and adsorbed acetylene on Ni(111) have been determined in a detailed quantitative fashion. Ethylene adsorbed at low temperature...
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