STM and LEED observations of the surface structure of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">TiO</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mn /><mml:mo>(</mml:mo><mml:mn>110</mml:mn><mml:mo>)</mml:mo><mml:mn /></mml:math>following crystallographic shear plane formation

Bennett, R. A.; Poulston, Stephen; Stone, Peter; Bowker, Michael

doi:10.1103/physrevb.59.10341

Cited by 81 publications

(73 citation statements)

References 15 publications

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“…After full relaxation the slab contains a crystallographic shear plane (CSP) with [001] orientation. CSPs have been observed to appear under reducing conditions [54,55], albeit with different orientations with respect to the surface than the present one. The reduction of the TiO 2 slab is essential for several reasons; it mimics more closely the experimental situation in which TiO 2 single crystals are electronically conducting owing to bulk reduction, and it provides an efficient electrostatic decoupling between the two surfaces that are inevitable present within the slab approach.…”

Section: Computational Setupmentioning

confidence: 55%

Water Adsorption on TiO2

2010

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Scanning Tunneling Microscopy (STM) studies and Density Functional Theory (DFT) investigations of the interaction of water with the rutile TiO 2 (110) surface are summarized. From high-resolution STM the following reactions have been revealed: water adsorption and diffusion in the Ti troughs, water dissociation in bridging oxygen vacancies, assembly of adsorbed water monomers into rapidly diffusing water dimers, and formation of water dimers by reduction of oxygen molecules. The STM results are rationalized based on DFT calculations, revealing the bonding geometries and reaction pathways of the water species on the TiO 2 (110) surface.

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Section: Computational Setupmentioning

confidence: 55%

Water Adsorption on TiO2

2010

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“…The clean surfaces of rutile have been shown to undergo a complex sequence of reconstructions that are dependent upon sample history and preparation [4][5][6]. Rutile single crystals have been employed as a support for studies into the behaviour of model catalysts produced by deposition of metal nanoparticles on the surface.…”

Section: Introductionmentioning

confidence: 99%

Non-Stoichiometric Oxide Surfaces and Ultra-thin Films: Characterisation of TiO2

Bennett

McCavish

2005

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Reducible transition metal oxides are key components in many catalytic, sensing and device systems however relatively little quantitative information exists on the nature of non-stoichiometric phases. In this study, we show how substrates can be prepared in a controlled manner with designed levels of non-stoichiometry. These in turn will facilitate quantitative studies of the interaction of non-stoichiometric oxide materials with adsorbates, reactants and supported metallic particles. We grow stoichiometric ultrathin films of TiO 2 in the rutile phase and (110) orientation on W(100) which represent our baseline material. Films are then doped with submonolayer excess Ti and annealed to create films with quantified levels of non-stoichiometry. The study relies heavily on previous scanning tunnelling microscopy work, which shows the dominant nature of Ti interstitial defects in the surface chemistry of TiO 2 , combined with detailed and quantitative X-ray photoelectron spectroscopy measurements.

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“…1,2 The clean surfaces of rutile have been shown to undergo a complex sequence of reconstructions that are dependent upon sample history and preparation. [3][4][5] Most recently rutile single crystals have been employed as a support for studies into the behavior of model catalysts produced by deposition of metal nanoparticles on the surface. It has been widely realized that titania is not chemically inert and can react with adsorbates [6][7][8] or encapsulate supported metal nanoparticles.…”

Section: Introductionmentioning

confidence: 99%

Measurement of the surface-growth kinetics of reducedTiO2(110)during reoxidation using time-resolved scanning tunneling microscopy

2002

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We have employed variable-temperature scanning tunneling microscopy ͑STM͒ to follow the kinetics of reoxidation of a nonstoichiometric TiO 2 ͑110͒ single-crystal surface. The surface is seen to grow during reoxidation between 573 and 1000 K and at pressures from 5ϫ10 Ϫ8 to 2ϫ10 Ϫ6 mbar O 2 . The reaction proceeds by combination of gas-phase O 2 with mobile interstitial Ti 3ϩ from the bulk. The surface is observed to grow new layers of TiO 2 in a cyclic process, resulting in the formation of alternate layers of (1ϫ1) and cross-linked (1ϫ2). The growth rate was calculated by measuring the area of new material grown on consecutive STM images of the same area. The rate shows a linear dependence upon oxygen pressure, with an Arrhenius plot indicating an activation barrier of ϳ25Ϯ4 kJ mol Ϫ1 ͑0.25Ϯ0

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STM and LEED observations of the surface structure ofTiO2(110)following crystallographic shear plane formation

Cited by 81 publications

References 15 publications

Water Adsorption on TiO2

Water Adsorption on TiO2

Non-Stoichiometric Oxide Surfaces and Ultra-thin Films: Characterisation of TiO2

Measurement of the surface-growth kinetics of reducedTiO2(110)during reoxidation using time-resolved scanning tunneling microscopy

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