Abstract
The low temperature structure of oxygen on Cu(110) has recently been the subject of much controversy. Prabhakaran et al. used UPS, XPS, AES, HREELS and LEED to deduce that molecular chemisorption is the dominant process. Mundenar et al., using EELS and UPS, find no evidence of molecular chemisorption and propose atomic adsorption in a combination of four coordinated and long bridge sites. We calculate the total energies for both atomic and molecular chemisorption in all high symmetry sites on a Cu12 cluster using a self-consistent Hartree-Fock scheme. No evidence of molecular chemisorption is found, while atomic oxygen is found to occupy a long bridge site forming Cu-O bonds of about 1.8 Å. The vibrational mode corresponding to vertical displacement of the oxygen atom about this position is found to have an energy of 52.9 meV, in agreement with Mundernar's experimental value of 49 meV.
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