Abstract:The possible configurations of pyrrole absorbed on Si(100) surface have been investigated by x-ray photoelectron spectroscopy (XPS) and near-edge x-ray absorption fine structure (NEXAFS) spectra. The C-1s XPS and NEXAFS spectra of these adsorption configurations have been calculated by using the density functional theory (DFT) method and full-core hole (FCH) approximation to investigate the relationship between the adsorption configurations and the spectra. The result shows that the XPS and NEXAFS spectra are … Show more
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