0000000000276758

AUTHOR

A. Cossaro

showing 2 related works from this author

Defects at the TiO2(100) surface probed by resonant photoelectron diffraction.

2006

We report photoelectron diffraction (PED) experiments of weakly sub-stoichiometric TiO 2 (100) rutile surfaces. Apart from standard core-level PED from the Ti-2p3/2 line, we have studied valence band PED from the defect induced Ti-3d states in the insulating band gap. For maximum yield, the latter were resonantly excited at the Ti-2p absorption edge. The PED patterns have been analyzed within the forward scattering approximation as well as by comparison with simulated PED patterns obtained in multiple scattering calculations. The analysis shows that the defect induced Ti-3d charge is mainly located on the second layer Ti atoms. © 2007 Elsevier B.V. All rights reserved.

DiffractionMaterials scienceScatteringForward scatterBand gapAnalytical chemistry02 engineering and technologySurfaces and Interfaces021001 nanoscience & nanotechnologyCondensed Matter Physics01 natural sciencesMolecular physicsPhotoelectron diffractionResonant photoemissionSurfaces Coatings and FilmsAbsorption edgeRutileExcited state0103 physical sciencesMaterials ChemistryTitanium dioxide010306 general physics0210 nano-technologySurface defectsLine (formation)
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Defect States at theTiO2(110)Surface Probed by Resonant Photoelectron Diffraction

2008

The charge distribution of the defect states at the reduced ${\mathrm{TiO}}_{2}(110)$ surface is studied via a new method, the resonant photoelectron diffraction. The diffraction pattern from the defect state, excited at the $\mathrm{Ti}\mathrm{\text{\ensuremath{-}}}2p\mathrm{\text{\ensuremath{-}}}3d$ resonance, is analyzed in the forward scattering approach and on the basis of multiple scattering calculations. The defect charge is found to be shared by several surface and subsurface Ti sites with the dominant contribution on a specific subsurface site in agreement with density functional theory calculations.

DiffractionMaterials scienceScatteringForward scatterGeneral Physics and AstronomyCharge densityCharge (physics)02 engineering and technology010402 general chemistry021001 nanoscience & nanotechnology01 natural sciencesResonance (particle physics)0104 chemical sciencesExcited stateDensity functional theoryAtomic physics0210 nano-technologyPhysical Review Letters
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