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Article Dans Une Revue Physical Review B Année : 2016

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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Dates et versions

hal-03032735 , version 1 (01-12-2020)

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Céline Dupont, S. Bourgeois, P. Le Fèvre, A. Verdini, L Floreano, et al.. Structure of TiO 2 (011) revealed by photoelectron diffraction. Physical Review B, 2016, 94 (24), ⟨10.1103/PhysRevB.94.241304⟩. ⟨hal-03032735⟩
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