Formation and diffusion of oxygen-vacancy pairs on TiO2(110)-(1×1)

Cui, Xuefeng; Wang, Bing; Wang, Zhuo; Huang, Tian; Zhao, Yan; Yang, Jinlong; Hou, Jian

doi:10.1063/1.2955448

Cited by 53 publications

(69 citation statements)

References 34 publications

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“…The diffusion of these pairs of Obvac has also been reported. [89] The excitation mechanism of this reaction is not known; however, the application of a high bias voltage is necessary for the reaction to take place. This suggests that the electric field between the tip and the surface plays an important role in the reaction.…”

Section: Manipulation Of Defectsmentioning

confidence: 99%

Atomic Defects in Titanium Dioxide

Minato

2014

The Chemical Record

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The functionality of solid materials is defined by the type and ordering of the constituent atoms. By introducing defects that perturb the ordered structure, new functionality is created within the solid material. Atomic defects in titanium dioxide, such as oxygen vacancies, atomic hydrogen, and interstitial Ti, typically create new functionality. However, the fundamental physical properties of atomic defects in TiO2 are not fully understood and still remain controversial. In this account, the progress and issues for debate regarding the physical properties, electronic structure, and manipulation mechanisms of atomic defects in TiO2 as well as their interaction with gold nanoclusters are described.

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Section: Manipulation Of Defectsmentioning

confidence: 99%

Atomic Defects in Titanium Dioxide

Minato

2014

The Chemical Record

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“…[31][32][33] The STM experiment on the methanol/TiO 2 (110) surface was conducted with a low temperature scanning tunnelling microscope (Omicron, MATRIX) in an UHV system. In the STM experiment on methanol on TiO 2 (110), the vacuum system was baked for about 100 h and had a base pressure of 3 Â 10 À11 mbar.…”

Section: Scanning Tunnelling Microscopy Techniquementioning

confidence: 99%

Site-specific photocatalytic splitting of methanol on TiO2(110)

et al. 2010

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Clean hydrogen production is highly desirable for future energy needs, making the understanding of molecular-level phenomena underlying photocatalytic hydrogen production both fundamentally and practically important. Water splitting on pure TiO 2 is inefficient, however, adding sacrificial methanol could significantly enhance the photocatalyzed H 2 production. Therefore, understanding the photochemistry of methanol on TiO 2 at the molecular level could provide important insights to its photocatalytic activity. Here, we report the first clear evidence of photocatalyzed splitting of methanol on TiO 2 derived from time-dependent two-photon photoemission (TD-2PPE) results in combination with scanning tunneling microscopy (STM). STM tip induced molecular manipulation before and after UV light irradiation clearly reveals photocatalytic bond cleavage, which occurs only at Ti 4+ surface sites. TD-2PPE reveals that the kinetics of methanol photodissociation is clearly not of single exponential, an important characteristic of this intrinsically heterogeneous photoreaction.

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“…al. 29 , and therefore necessitates a reinterpretation of the formate adsorption structure on TiO 2 (110), and the role of O vacancies for the surface reactivity of TiO 2 in general. 14,15 …”

Section: Introductionmentioning

confidence: 99%

Adsorption of formic acid on rutile TiO2 (110) revisited: An infrared reflection-absorption spectroscopy and density functional theory study

Mattsson

Hermansson

et al. 2014

The Journal of Chemical Physics

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Adsorption of formic acid on rutile TiO2 (110) revisited: An infrared reflection-absorption spectroscopy and density functional theory study. Journal of Chemical Physics AbstractFormic acid (HCOOH) adsorption on rutile TiO 2 (110) has been studied by s-and p-polarized infrared reflection-absorption spectroscopy (IRRAS) and spin-polarized density functional theory together with Hubbard U contributions (DFT+U) calculations. To compare with IRRAS spectra, the results from the DFT+U calculations were used to simulate IR spectra by employing a three-layer model, where the adsorbate layer was modelled using Lorentz oscillators with calculated dielectric constants. To account for the experimental observations, four possible formate adsorption geometries were calculated, describing both the perfect (110) surface, and surfaces with defects; either O vacancies or hydroxyls. The binding energy was found to be E bind = 1.84 eV for the bridging bidentate formate species, which bonds with its IRRAS spectra measured on surfaces prepared to be either reduced, stoichiometric, or to contain surplus O adatoms, were found to be very similar. By comparisons with computed spectra, it is concluded that formate binds to in-plane Ti 5c atoms rather than to O vacancy sites. The results emphasize the importance of protonation and reactive surface hydroxylseven under UHV conditions -as reactive sites in e.g. catalytic applications.

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Formation and diffusion of oxygen-vacancy pairs on TiO2(110)-(1×1)

Cited by 53 publications

References 34 publications

Atomic Defects in Titanium Dioxide

Atomic Defects in Titanium Dioxide

Site-specific photocatalytic splitting of methanol on TiO2(110)

Adsorption of formic acid on rutile TiO2 (110) revisited: An infrared reflection-absorption spectroscopy and density functional theory study

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