Mechanisms of Phase Transformations of TiO<sub>2</sub> Nanotubes and Nanorods

Buin, Andrei; Consta, Styliani; Sham, Tsun‐Kong

doi:10.1021/jp2077006

Cited by 8 publications

(6 citation statements)

References 49 publications

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“…28,30 Recent studies suggest that structurally different connecting details among the titania TiO x (x = 4-7) building block units present in the amorphous materials can be at the origin of these differences. This has obtained both experimental 29 and theoretical 52 support although it is still an open question. In any case, in our case the activation energy values presented in Table 1 reinforce the idea that the presence of tungsten affects minimally the nucleation and growth process initial steps of the anatase phase.…”

Section: (B) Mechanism Of Anatase Crystallizationmentioning

confidence: 96%

Morphological and structural behavior of TiO₂ nanoparticles in the presence of WO₃: crystallization of the oxide composite system

Kubacka

Iglesias‐Juez

Michiel

et al. 2014

Phys. Chem. Chem. Phys.

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Composite TiO2-WO3 oxide materials were prepared by a single pot microemulsion method and studied during calcination treatments under dry air in order to analyze the influence of tungsten on the behavior of the dominant titania component. To this end, the surface and bulk morphological and structural evolution of the solid precursors was studied using X-ray diffraction and infrared spectroscopy. In the calcination process, differences in the dominant titania component behavior appeared as a function of the W/Ti atomic ratio of the precursor. First, the crystallization of the anatase phase is affected by tungsten through an effect on the primary particle size growth. Furthermore, such an effect also influences the anatase to rutile phase transformation. The study provides evidence that the W-Ti interaction develops differently for a low/high W/Ti atomic ratio below/above 0.25 affecting fundamentally the above-mentioned anatase primary particle size growth process and the subsequent formation of the rutile phase and showing that addition of tungsten provides a way to control morphology and phase behavior in anatase-based oxide complex materials.

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Section: (B) Mechanism Of Anatase Crystallizationmentioning

confidence: 96%

Morphological and structural behavior of TiO₂ nanoparticles in the presence of WO₃: crystallization of the oxide composite system

Kubacka

Iglesias‐Juez

Michiel

et al. 2014

Phys. Chem. Chem. Phys.

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“…Phase transformations of TiO 2 have been studied in nanorods and nanotubes with the MA model, 27 as has anatase-rutile nucleation in nanoparticles. 28 The phase diagram at absolute zero in temperature can readily be computed in simulations by finding the minimum of the potential energy.…”

Section: Phase Diagrams and Free-energy Calculationsmentioning

confidence: 99%

Phase behavior of empirical potentials of titanium dioxide

Reinhardt

2019

The Journal of Chemical Physics

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In recent years, several relatively similar empirical models of titanium dioxide have been proposed as reparameterisations of the potential of Matsui and Akaogi, with the Buckingham interaction replaced by a Lennard-Jones interaction. However, because of the steepness of the repulsive region of the Lennard-Jones potential, such reparameterised models result in rather different mechanical and thermodynamic properties compared to the original potential. Here, we use free-energy calculations based on the Einstein crystal method to compute the phase diagram of both the Matsui-Akaogi potential and one of its Lennard-Jones-based reparameterisations. Both potentials are able to support a large number of distinct crystalline polymorphs of titanium dioxide that have been observed in experiment, but the regions of thermodynamic stability of the individual phases are significantly different from one another. Moreover, neither potential results in phase behaviour that is fully consistent with the available experimental evidence. arXiv:1908.03497v1 [cond-mat.stat-mech]

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“…Rutile is the most thermodynamically stable phase with the highest density. Brookite is less common, although it has been reported that it is an intermediate phase during phase transformation [6]. B-phase has a highly distorted structure, which commonly occurs during hydrothermal synthesis, and is a good candidate as ion battery electrode [7,8].…”

Section: Introductionmentioning

confidence: 99%

Luminescence from TiO2 Nanotubes and Related Nanostructures Investigated Using Synchrotron X-Ray Absorption Near-Edge Structure and X-Ray Excited Optical Luminescence

Liu¹,

Sham²

2018

Titanium Dioxide - Material for a Sustainable Environment

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Understanding the optical property of nanostructured TiO 2 is crucial for their use in a variety of applications such as solar cells, photocatalysis, and light emitting devices. Herein, we introduce the use of synchrotron radiation-based spectroscopic techniques: X-ray absorption near-edge structure (XANES) and X-ray excited optical luminescence (XEOL) in analyzing the luminescence properties of anodized TiO 2 nanotubes (TiO 2 NT) and related materials. A description on the spectroscopic technique is first given, including conventional XANES-XEOL combined analysis and a more recently developed 2D XANES-XEOL probing technique. We then discuss several examples of analyzing the luminescence mechanism of TiO 2 NT using XANES and XEOL technique, which are the phase transformation accompanied luminescence, luminescence from TiO 2 NT hierarchical structure, and metal particle-coated TiO 2 NT.

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Mechanisms of Phase Transformations of TiO₂ Nanotubes and Nanorods

Cited by 8 publications

References 49 publications

Morphological and structural behavior of TiO₂ nanoparticles in the presence of WO₃: crystallization of the oxide composite system

Morphological and structural behavior of TiO₂ nanoparticles in the presence of WO₃: crystallization of the oxide composite system

Phase behavior of empirical potentials of titanium dioxide

Luminescence from TiO2 Nanotubes and Related Nanostructures Investigated Using Synchrotron X-Ray Absorption Near-Edge Structure and X-Ray Excited Optical Luminescence

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Mechanisms of Phase Transformations of TiO2 Nanotubes and Nanorods

Cited by 8 publications

References 49 publications

Morphological and structural behavior of TiO2 nanoparticles in the presence of WO3: crystallization of the oxide composite system

Morphological and structural behavior of TiO2 nanoparticles in the presence of WO3: crystallization of the oxide composite system

Phase behavior of empirical potentials of titanium dioxide

Luminescence from TiO2 Nanotubes and Related Nanostructures Investigated Using Synchrotron X-Ray Absorption Near-Edge Structure and X-Ray Excited Optical Luminescence

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Product

Resources

About

Mechanisms of Phase Transformations of TiO₂ Nanotubes and Nanorods

Morphological and structural behavior of TiO₂ nanoparticles in the presence of WO₃: crystallization of the oxide composite system

Morphological and structural behavior of TiO₂ nanoparticles in the presence of WO₃: crystallization of the oxide composite system