Reaction of O2 with subsurface oxygen vacancies on TiO 2 anatase (101)

Martin Setviń; Ulrich Aschauer; Philipp Scheiber; Ye Fei Li; Weiyi Hou; Michael Schmid; Annabella Selloni; Ulrike Diebold

doi:10.1126/science.1239879

Reaction of O₂ with subsurface oxygen vacancies on TiO ₂ anatase (101)

Martin Setviń, Ulrich Aschauer, Philipp Scheiber, Ye Fei Li, Weiyi Hou, Michael Schmid, Annabella Selloni, Ulrike Diebold

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Abstract

Oxygen (O₂) adsorbed on metal oxides is important in catalytic oxidation reactions, chemical sensing, and photocatalysis. Strong adsorption requires transfer of negative charge from oxygen vacancies (V_Os) or dopants, for example. With scanning tunneling microscopy, we observed, transformed, and, in conjunction with theory, identified the nature of O ₂ molecules on the (101) surface of anatase (titanium oxide, TiO ₂) doped with niobium. V_Os reside exclusively in the bulk, but we pull them to the surface with a strongly negatively charged scanning tunneling microscope tip. O₂ adsorbed as superoxo (O₂ ^-) at fivefold-coordinated Ti sites was transformed to peroxo (O ₂^2-) and, via reaction with a V_O, placed into an anion surface lattice site as an (O₂)_O species. This so-called bridging dimer also formed when O₂ directly reacted with V_Os at or below the surface.

Original language	English (US)
Pages (from-to)	988-991
Number of pages	4
Journal	Science
Volume	341
Issue number	6149
DOIs	https://doi.org/10.1126/science.1239879
State	Published - 2013

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title = "Reaction of O2 with subsurface oxygen vacancies on TiO 2 anatase (101)",

abstract = "Oxygen (O2) adsorbed on metal oxides is important in catalytic oxidation reactions, chemical sensing, and photocatalysis. Strong adsorption requires transfer of negative charge from oxygen vacancies (VOs) or dopants, for example. With scanning tunneling microscopy, we observed, transformed, and, in conjunction with theory, identified the nature of O 2 molecules on the (101) surface of anatase (titanium oxide, TiO 2) doped with niobium. VOs reside exclusively in the bulk, but we pull them to the surface with a strongly negatively charged scanning tunneling microscope tip. O2 adsorbed as superoxo (O2 -) at fivefold-coordinated Ti sites was transformed to peroxo (O 22-) and, via reaction with a VO, placed into an anion surface lattice site as an (O2)O species. This so-called bridging dimer also formed when O2 directly reacted with VOs at or below the surface.",

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T1 - Reaction of O2 with subsurface oxygen vacancies on TiO 2 anatase (101)

AU - Setviń, Martin

AU - Aschauer, Ulrich

AU - Scheiber, Philipp

AU - Li, Ye Fei

AU - Hou, Weiyi

AU - Schmid, Michael

AU - Selloni, Annabella

AU - Diebold, Ulrike

PY - 2013

Y1 - 2013

N2 - Oxygen (O2) adsorbed on metal oxides is important in catalytic oxidation reactions, chemical sensing, and photocatalysis. Strong adsorption requires transfer of negative charge from oxygen vacancies (VOs) or dopants, for example. With scanning tunneling microscopy, we observed, transformed, and, in conjunction with theory, identified the nature of O 2 molecules on the (101) surface of anatase (titanium oxide, TiO 2) doped with niobium. VOs reside exclusively in the bulk, but we pull them to the surface with a strongly negatively charged scanning tunneling microscope tip. O2 adsorbed as superoxo (O2 -) at fivefold-coordinated Ti sites was transformed to peroxo (O 22-) and, via reaction with a VO, placed into an anion surface lattice site as an (O2)O species. This so-called bridging dimer also formed when O2 directly reacted with VOs at or below the surface.

AB - Oxygen (O2) adsorbed on metal oxides is important in catalytic oxidation reactions, chemical sensing, and photocatalysis. Strong adsorption requires transfer of negative charge from oxygen vacancies (VOs) or dopants, for example. With scanning tunneling microscopy, we observed, transformed, and, in conjunction with theory, identified the nature of O 2 molecules on the (101) surface of anatase (titanium oxide, TiO 2) doped with niobium. VOs reside exclusively in the bulk, but we pull them to the surface with a strongly negatively charged scanning tunneling microscope tip. O2 adsorbed as superoxo (O2 -) at fivefold-coordinated Ti sites was transformed to peroxo (O 22-) and, via reaction with a VO, placed into an anion surface lattice site as an (O2)O species. This so-called bridging dimer also formed when O2 directly reacted with VOs at or below the surface.

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Reaction of O₂ with subsurface oxygen vacancies on TiO ₂ anatase (101)

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