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STRUCTURE DETERMINATION FOR COADSORBED MOLECULAR FRAGMENTS USING CHEMICAL-SHIFT PHOTOELECTRON DIFFRACTION

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Abstract

Chemical shift photoelectron diffraction has been applied to the model system of coadsorbed PFx(x=1,2,3) species on Ni(111), produced by electron beam fragmentation of a PF3 overlayer, to determine quantitatively and independently the local adsorption site of each species. PF3 is found to occupy atop adsorption sites above the outermost Ni layer atoms at a P-Ni bond length of (2.07 +/- 0.05) angstrom, PF2 occupies bridge sites at a spacing of (1.70 +/- 0.05) angstrom, while the PF species occupy both types of threefold coordinated hollow sites, maintaining a constant P coordination throughout the fragmentation

Topics: QC
Publisher: AMERICAN PHYSICAL SOC
OAI identifier: oai:wrap.warwick.ac.uk:21203
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