Abstract
We have calculated the oxygen and carbon K-shell near-edge X-ray absorption fine structure (NEXAFS) spectra of formate (HCOO) adsorbed on Cu(110) surface in terms of the multiple-scattering cluster method. The calculation shows that the molecular bond-length LC-O=1.26±0.01Å,the adsorption distance of oxygen LO-Cu=1.99±0.04Å. We have found the C-H resonance existing in the carbon K-shell NEXAFS spectra. The origin of the C-H resonance has been discussed.
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