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The Role of Interstitial Sites in the Ti3d Defect State in the Band Gap of Titania

Wendt, S. ; Sprunger, P. T. ; Lira, E. ; Madsen, G. K. H. ; Li, Z. ; Hansen, J. O. ; Matthiesen, J. ; Blekinge-Rasmussen, A. ; Laegsgaard, E. ; Hammer, B. ; Besenbacher, F.

Science, 06/27/2008, Vol.320(5884), pp.1755-1759 [Tạp chí có phản biện]

ISSN: 0036-8075 ; E-ISSN: 1095-9203 ; DOI: http://dx.doi.org/10.1126/science.1159846

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  • Nhan đề:
    The Role of Interstitial Sites in the Ti3d Defect State in the Band Gap of Titania
  • Tác giả: Wendt, S. ; Sprunger, P. T. ; Lira, E. ; Madsen, G. K. H. ; Li, Z. ; Hansen, J. O. ; Matthiesen, J. ; Blekinge-Rasmussen, A. ; Laegsgaard, E. ; Hammer, B. ; Besenbacher, F.
  • Chủ đề: Titanium Dioxide -- Physiological Aspects ; Extracellular Matrix -- Chemical Properties
  • Là 1 phần của: Science, 06/27/2008, Vol.320(5884), pp.1755-1759
  • Mô tả: Titanium dioxide (Ti[O.sub.2]) has a number of uses in catalysis, photochemistry, and sensing that are linked to the reducibility of the oxide. Usually, bridging oxygen ([O.sub.br]) vacancies are assumed to cause the Ti3d defect state in the band gap of futile Ti[O.sub.2](110). From high-resolution scanning tunneling microscopy and photoelectron spectroscopy measurements, we propose that Ti interstitials in the near-surface region may be largely responsible for the defect state in the band gap. We argue that these donor-specific sites play a key role in and may dictate the ensuing surface chemistry, such as providing the electronic charge required for [O.sub.2] adsorption and dissociation. Specifically, we identified a second [O.sub.2] dissociation channel that occurs within the Ti troughs in addition to the [O.sub.2] dissociation channel in [O.sub.br] vacancies. Comprehensive density functional theory calculations support these experimental observations.
  • Ngôn ngữ: English
  • Số nhận dạng: ISSN: 0036-8075 ; E-ISSN: 1095-9203 ; DOI: http://dx.doi.org/10.1126/science.1159846

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