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Determination of conduction and valence band electronic ...

phases (anatase and rutile) have on electronic struc-ture of TiO 2, determined using RIXS spectroscopy and FEFF calculations as proposed by Szlachetko and Sá.4 The change in crystalline structure from anatase to rutile leads to a decrease of band gap due to a shift of the Ti d-band to lower energy. Anatase possesses loca-

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Electronic Structure of F-Doped Bulk Rutile, Anatase, and ...

This work investigates the atomic and electronic structure of fluorine-doped (F-doped) rutile, anatase, and brookite polymorphs of TiO 2.In a first step, we present a methodological analysis of the performance of several density functional schemes (GGA, GGA+U, and hybrid functionals) in reproducing experimental structures and band gap of rutile and anatase.

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Visualization of the distribution of anatase and rutile ...

May 23, 2014· TiO 2 powder (P-25), widely used as the support for metal catalysts, contains both anatase and rutile TiO 2 phases. It is important to distinguish these two crystalline phases at the nanoscale in order to understand the effect of the support structure in Au/TiO 2 catalysis.

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Enhanced Photoelectrochemical Performance from …

the anatase−rutile TiO 2 heterojunction on the charge separation and PEC performance was systematically studied. As shown in Scheme 1, two types of anatase−rutile TiO 2 heterojunctions (i.e., FTO/anatase/rutile and FTO/rutile/ anatase) were developed by hydrothermally growing rutile TiO 2 nanorods and atomic layer deposition of anatase TiO ...

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Regulation of the rutile/anatase TiO2 heterophase ...

Anatase/rutile TiO 2 heterophase junction composites have been documented to have much higher photocatalytic activity than single phase TiO 2 (nude anatase or nude rutile) for various chemical reactions, including hydrogen production from methanol–water solution and pollution degradation. Further improving the photocatalytic performance of heterophase junction photocatalysts is a subject ...

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Transition from anatase to rutile phase in titanium ...

10%· Dec 20, 2012· In this work, the structural and optical properties of titanium dioxide (TiO 2) nanopowders are studied.The TiO 2 nanoparticles were synthesized by complexing sol–gel process and effect of complexing agents on transition of the anatase phase to rutile phase during the heat treatment have been investigated. In addition, we have studied the grain size of TiO 2 powders …

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Is there a way of converting rutile TiO2 to anatase TiO2?

Popular Answers (1) 17th May, 2016. Jayaram Vishakantaiah. Indian Institute of Science. Yes, I converted Rutile to Anatase phase by multiple shock treatment for the first time, on subsequent shock ...

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Review of the anatase to rutile phase transformation

the anatase to rutile transformation, and the principles of controlling phase composition through the inhibition or promotion of the transformation of anatase to rutile. Titania polymorphs Titanium dioxide, the only naturally occurring oxide of titanium at atmospheric pressure, exhibits three poly-morphs: rutile, anatase, and brookite [1–7].

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Figure 5 from Facile Formation of Anatase/Rutile TiO2 ...

Figure 5. UV-vis spectral changes of solutions as a functional of UV irradiation time in the presence of (a) pH0.5-TiO2, (b) pH1.0-TiO2, and (c) P25-TiO2, and (d) absence of any photocatalysts. - "Facile Formation of Anatase/Rutile TiO2 Nanocomposites with Enhanced Photocatalytic Activity"

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Selective suppression of {112} anatase facets by ...

To track TiO 2 phase transitions, and to evaluate the thermal stability of the anatase crystals, the samples were thermally treated at 300, 400, 500, 600, 700, 800 and 900 °C (Fig. 2 and S3†).For TiO 2, the phase transition of anatase-to-rutile began at 400 °C with a small diffraction peak at ca. 27.4°. As the temperature rose to 600 °C, a sharper, defined diffraction peak at ca. 27.4 ...

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The electronic structure and optical response of rutile ...

Apr 19, 2012· The electronic band structures of the three TiO 2 modifications rutile, anatase and brookite are shown in figure 2.Besides HSE06 and G 0 W 0 results, the DFT–PBE band edge positions are included to demonstrate the DFT–PBE underestimation of the electronic bandgap. The fundamental bandgaps have been summarized in table 1.The rutile and brookite PBE gaps of 1.88 and 1.86 eV …

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Iso-valent doping of reducible oxides: a comparison of ...

Sep 01, 2021· We studied the role of iso-valent heteroatoms replacing Tications in the lattice of two titania polymorphs, rutile (r-) and anatase (a-) by means of first principles calculations. The r-TiO(110) and the a-TiO(101) surfaces have been considered and Ti ions in the bulk, sub-surface, and surface sites have been replaced with Si, Ge, Sn, Pb, Zr, Hf ...

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Understanding the anatase–rutile phase junction in charge ...

of anatase on rutile single crystal.23 Nevertheless, their conclusions are still limited without a reverse structure (rutile on anatase). It is not a simple matter; because of the metastability of anatase phase TiO 2 upon high temperature calcination the anatase/rutile con guration with rutile as the

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Tuning Anatase-Rutile Phase Transition Temperature: TiO ...

dispersed and contributed to maintain the anatase phase even after thermal treatment at 500°C[18–21]. The hydrothermal method is the most used approach to synthesize nanostructured TiO 2 for DSSC. It is a simple and efficient route to obtain a nanosize and shape-controlled TiO 2 nanoparticles and has also been explored to prepare TiO 2 /SiO

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catalysts and rutile) nanoparticles as efficient ...

anatase and rutile TiO2 phase (PDF no. 21-1272 and PDF no. 21-1276), respectively, indicating that pure anatase and rutile were also successfully prepared, and after being calcinated, the phase structures were maintained. Table S1 The calculated lattice parameters, unit cell volume, crystalline size and specific surface area

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Rutile and Anatase TiO2 Nanoparticles and Applications ...

Jul 05, 2019· Titanium Oxide (TiO 2) is an important material having a lot of vital properties and applications such as the production of titanium metal, titanium oxide nanoparticles, etc.It has two important types which are rutile titanium dioxide and anatase titanium dioxide. The key difference among them is in their appearance.

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Comparison of Antibacterial Ability of Anatase and Rutile ...

This research studied the nano–structured titanium dioxide (TiO 2) thin films that had been coated on the silicon and glass slides by the reactive DC magnetron sputtering technique to compare the antibacterial ability of the TiO 2 thin films between the anatase and rutile phases. After coating, the films were analyzed by various techniques. The crystal structures of coated samples were ...

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Synthesis of TiO2 with controllable ratio of anatase to rutile

Dual-phase TiO 2 photocatalysts with controllable ratio of anatase to rutile were synthesized, and evaluated using the degradation of Rhodamine B (RhB) under UV light irradiation. The TiO 2 samples prepared by one-pot redox reactions in the presence of graphene oxide (GO) were characterized by X-ray diffraction, physical adsorption–desorption of nitrogen, and scanning/transmission electron ...

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Controlled formation of anatase and rutile TiO 2 thin ...

Sep 23, 2015· We discuss the formation of TiO 2 thin films via DC reactive magnetron sputtering. The oxygen concentration during sputtering proved to be a crucial parameter with respect to the final film structure and properties. The initial deposition provided amorphous films that crystallise upon annealing to anatase or rutile, depending on the initial sputtering conditions.

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Optical properties of anatase and rutile TiO 2 films ...

The values of the nonlinear absorption coefficient and the nonlinear refractive index of the rutile TiO 2 film were determined to be -7.44×10-10 m/W and -1.36×10-16 m 2 /W, respectively, which are greater than those of the anatase TiO 2 film. The metal-oxygen bond lengths based on the bond-orbital theory could be used to explain the results.

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Facile Formation of Anatase/Rutile TiO2 Nanocomposites ...

The anatase/rutile TiO2 nanocomposites obtained at pH 1.0 (pH1.0-TiO2) show the best photocatalytic activity, which can be attributed to the optimal heterojunction structure, the smaller average particle size, and the presence of a specific exposed crystal surface.

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Adsorption of water and ammonia on TiO -anatase cluster …

TiO 2 anatase [22]. In addition Kryukova et al. [23] showed by use of high resolution electron microscopy that there is a good geometric complementary between (010) V 2O 5 and (001) TiO 2-anatase for SCR reaction. In this research (101) and (001) surfaces of TiO 2 are represented by finite neutral cluster models of Ti 2O 9H 10

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Band alignment of rutile and anatase TiO2

˘0.4 eV exists between anatase and rutile with anatase possessing the higher electron affinity, or work function. Our results help to explain the robust separation of photoexcited charge carriers between the two phases and highlight a route to improved photocatalysts. A general consensus places the bandgaps of rutile and anatase TiO

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Rutile TiO2 Bulk Structural and Vibrational Properties: A ...

The experimental band gaps of rutile and anatase TiO 2, are 3.0 eV and 3.2 eV, respectively with possible absorption of ultraviolet (UV) radiation.19, 20 TiO 2 can be used as electrodes for photochemical reactions.21-23 Incorporating a dopant into the TiO 2 systems one can usually modify the bandgap.24-35 Non-metal doping in rutile TiO 2

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Anatase or rutile TiO 2 nanolayer formation on Ti ...

Jun 01, 2021· The thickness of TiO 2 layer on Ti increases from 50 to 100 nm with the laser dose.. The increased thickness reduces the adhesion of TiO 2 to Ti.. The modified Wagner's oxidation model suggests that a monolayer of TiO 2 can be grown by a single laser pulse.. At higher dose, the transformation from anatase to rutile phase is explained by the deficit of O atoms in Ti.

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Phase-pure TiO 2 nanoparticles: anatase, brookite and rutile

Mar 05, 2008· Phase-pure TiO 2 nanoparticles: anatase, brookite and rutile. D Reyes-Coronado 1, G Rodríguez-Gattorno 1, M E Espinosa-Pesqueira 2, C Cab 1, R de Coss 1 and G Oskam 1. Published 5 March 2008 • IOP Publishing Ltd Nanotechnology, Volume 19, Number 14 Citation D Reyes-Coronado et al 2008 Nanotechnology 19 145605

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Anatase‐to‐Rutile Transformation in Titania Powders ...

Dec 20, 2004· Titania (TiO 2) is an important electronic ceramic material for use in diverse applications such as gas sensors, catalysts, dielectrics, and ceramic membranes.TiO 2 exists as several polymorphic phases, most commonly as rutile or anatase. This paper investigates the microstructural evolution of anatase-based commercial TiO 2 powders, with an average size of 100 nm, at high temperatures.

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Unique Pulsed-Laser Deposition Production of Anatase and ...

We have shown that the growth of pure rutile and pure anatase TiO 2 is possible without changing substrate materials or PLD targets, and we have done so using only c-cut Al 2 O 3 as a substrate―despite the large lattice mismatch between Al 2 O 3 and anatase phase of TiO 2. Growing anatase in this manner does, however, induce significantly ...

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Optical Properties of Anatase and Rutile TiO :Cr3+ Powders

oC exhibit pure rutile TiO 2 phase. Similar to the anatase phase, in the range from 2.0 to 3.5 eV, with increasing Cr3+ content, the diffuse reflectance of Cr3+- doped rutile TiO 2 is decreased. But the quenching of diffuse reflectance by Cr3+ doped concentration in rutile phase occurred much more powerful. Kubelka-

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Thermal expansion of anatase and rutile between 300 and ...

Mar 01, 2012· Anatase TiO 2 (Sigma Aldrich, 99.8%) and rutile TiO 2 (Sigma Aldrich, 99.99%) powder standards were each loaded into 0.7 mm internal diameter quartz glass capillaries (Charles Supper Co.). The average particle size as determined by SEM analysis was 0.2 μm for anatase, and between 0.5 and 5 μm for rutile (with most particles being ∼1 μm).

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Phase Characterization of TiO Powder by XRD and TEM

Kasetsart J. (Nat. Sci.) 42 : 357 - 361 (2008) Phase Characterization of TiO 2 Powder by XRD and TEM Kheamrutai Thamaphat 1*, Pichet Limsuwan1 and Boonlaer Ngotawornchai2 ABSTRACT In this study, the commercial TiO 2 nanopowder and micropowder of anatase phase and rutile phase have been characterized by x-ray diffraction (XRD) and transmission electron microscopy (TEM).

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Effect of Active Acidity of a Colloidal Solution of ...

Oct 04, 2021· Crystalline titanium dioxide (TiO 2) in the form of anatase or rutile is everywhere used in the food, pharmaceutical, cosmetic industry; for most applications, there is no adequate replacement for this material.In particular, TiO 2 is used as Е171 white dye as a part of fish, dairy, confectionery production, as well as in shells and capsules of biologically active additives to food.

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Anatase/rutile TiO2 composites: Influence of the mixing ...

Dec 15, 2007· The present study is directed to clarify the influence of the ratio of anatase to rutile phase, containing in the TiO 2 samples, on their activity as photocatalysts in slurry. A series of samples corresponding to different percentages of anatase is prepared from commercial anatase and rutile TiO 2 brands (KRONOS). The crystalline phase composition of the samples is characterized by X-ray ...

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Heat-stimulated crystallization and phase transformation ...

Oct 02, 2021· The assumption of TiO 2 crystallization in the range of 387 – 438 °C was confirmed by HT-PXRD measurements, where the pattern collected at 300 °C demonstrates the broad peak assigned to the (101) reflection of the anatase structure (fig. 2b). The formation from the amorphous phase of metastable anatase rather than thermodynamically stable rutile can be explained by the …

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Difference Between Rutile and Anatase Titanium Dioxide ...

May 17, 2018· The key difference between rutile and anatase titanium dioxide is that rutile titanium dioxide has a deep red color appearance whereas the appearance of anatase titanium dioxide is colorless or white.. Titanium dioxide or TiO 2 is a very important mineral that has many favorable properties such as the production of titanium metal, to obtain TiO2 nanoparticles, etc.

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