Structure of TiO 2 (011) revealed by photoelectron diffraction
Résumé
The combination of photoelectron diffraction, density functional theory and multiple scattering calculations is used for a quantitative analysis of the widely debated structure of TiO 2 (011). The modeling of the diffraction patterns for different surface reconstructions allows to discriminate the key structural constraints required or, on the contrary, prohibited in the reconstruction of this termination. In particular photodiffraction rules out previously proposed reconstructions while it evidences the key feature of the TiO 2 (011) termination: an oxygen splitting induced by missingrows.
Domaines
Chimie
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