Z+1 first-principles calculations predict O 1s XPS spectra for stoichiometric, reduced, and adsorbate-covered SnO2(110) surfaces that match experimental peak shapes for reduced surfaces exposed to oxygen.
and Morgan, David J
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Predicting core-level X-ray photoemission spectra of oxide surfaces from first principles -- a case study for SnO$_2$
Z+1 first-principles calculations predict O 1s XPS spectra for stoichiometric, reduced, and adsorbate-covered SnO2(110) surfaces that match experimental peak shapes for reduced surfaces exposed to oxygen.