2007
DOI: 10.1016/j.susc.2007.04.033
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Defects at the TiO2(100) surface probed by resonant photoelectron diffraction

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Cited by 67 publications
(124 citation statements)
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“…It should be noted that the excess electrons distribution on the reduced rutile titanium dioxide (110) surface has been studied also using resonant photoelectron diffraction and scanning tunneling microscopy experimental techniques. , The experiments indicate that the excess electrons in the TiO 2 (110) surface are mainly distributed on the Ti sites of the subsurface. Meanwhile, recent first-principles calculations ,,, have also suggested that the polarons prefer the subsurface.…”
Section: Resultsmentioning
confidence: 99%
“…It should be noted that the excess electrons distribution on the reduced rutile titanium dioxide (110) surface has been studied also using resonant photoelectron diffraction and scanning tunneling microscopy experimental techniques. , The experiments indicate that the excess electrons in the TiO 2 (110) surface are mainly distributed on the Ti sites of the subsurface. Meanwhile, recent first-principles calculations ,,, have also suggested that the polarons prefer the subsurface.…”
Section: Resultsmentioning
confidence: 99%
“…However, the spatial extension of t S might depend on the nature of the excitation. To explore the case, fits were done at a fixed thickness t BGS = 6.5–13 Å for BGS (known enrichment of the subsurface ,,,, ) and a thickness t S for transport. Inconsistent decreasing t S values from 40 Å to nearly zero were obtained between 0 and 4 L. But whatever t S is, the product found to be constant (inset of Figure a) indicates a constant density n S ≃ 10 14 cm –2 of surface carriers on the native surface an effective mass , and an anisotropy .…”
Section: Resultsmentioning
confidence: 99%
“…Reduced nonstoichiometric rutile TiO 2 (110) is a n-type semiconductor of which the main point defects, surface oxygen vacancies O b (vac), and titanium interstitials Ti int (Figure ), dominate electronic properties. The excess electrons they generate have a strong polaronic character; they are located on regular Ti lattice sites on which they populate Ti 3d-derived states lying in the band gap (BGS) at 0.8–1 eV below the Fermi level, as evidenced by photoemission and various spectroscopies. The experimental finding of a high density of excess electrons in subsurface, ,, which relies on the surface electrostatic potential of the oxide, is supported by ab initio methods (DFT+U, hybrid functional, PBE+U ) that also predict a localization of excess electrons in deep states in agreement with spectroscopic measurements. This configuration is all the more general as injection of electrons or n-doping with hydrogen, , aliovalent cations, or anions lead to charge distributions similar to those produced by stoichiometry defects.…”
Section: Introductionmentioning
confidence: 99%
“…Moreover, if the crystal structure is known, XPD can be used for assigning an electronic structure to a particular site. Recent papers 13,28 have shown that XPD can be also used in resonant conditions in order to increase the intensity of the measured peak.…”
Section: Resonant Photoelectron Diffraction On Valence Bandmentioning
confidence: 99%
“…We have clearly confirmed that resonance can be used to enhance a particular electronic structure in order to allow XPD measurements as it was already used in previous work concerning TiO 2 defect peak. 13,28 Moreover, when different contributions are mixed in the VB, resonance can be also used to enhance only one particular contribution but only in some cases. The photon energies of resonances must be well separate or one can only use the resonance which has the lower photon energy.…”
Section: Resonant Photoelectron Diffraction On Valence Bandmentioning
confidence: 99%