Electronic and optical properties of three phases of titanium dioxide: Rutile, anatase, and brookite

Mo, Shang‐Di; Ching, W. Y.

doi:10.1103/physrevb.51.13023

Cited by 990 publications

(629 citation statements)

References 66 publications

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“…concluded that the rutile phase can be active or inactive, depending on its preparation conditions. Anatase: Anatase TiO 2 also has a tetragonal structure but the distortion of the TiO 6 octahedron is slightly larger for the anatase phase [28,33], as depicted in Figure 1. Muscat et al [37] found that the anatase phase is more stable than the rutile at 0 K, but the energy difference between these two phases is small (∼2 to 10 kJ/mol).…”

Section: Chemical Structure Of Tiomentioning

confidence: 99%

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A review of TiO2 nanoparticles

2011

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Climate change and the consumption of non-renewable resources are considered as the greatest problems facing humankind. Because of this, photocatalysis research has been rapidly expanding. TiO 2 nanoparticles have been extensively investigated for photocatalytic applications including the decomposition of organic compounds and production of H 2 as a fuel using solar energy. This article reviews the structure and electronic properties of TiO 2 , compares TiO 2 with other common semiconductors used for photocatalytic applications and clarifies the advantages of using TiO 2 nanoparticles. TiO 2 is considered close to an ideal semiconductor for photocatalysis but possesses certain limitations such as poor absorption of visible radiation and rapid recombination of photogenerated electron/hole pairs. In this review article, various methods used to enhance the photocatalytic characteristics of TiO 2 including dye sensitization, doping, coupling and capping are discussed. Environmental and energy applications of TiO 2 , including photocatalytic treatment of wastewater, pesticide degradation and water splitting to produce hydrogen have been summarized. Historical backgroundThe growth of industry worldwide has tremendously increased the generation and accumulation of waste byproducts. In general, the production of useful products has been focused on and the generation of waste byproducts has been largely ignored. This has caused severe environmental problems that have become a major concern. Researchers all over the world have been working on various approaches to address this issue. Photoinduced processes have been studied and various applications have been developed. One important technique for removing industrial waste is the use of light energy (electromagnetic radiation) and particles sensitive to this energy to mineralize waste which aids in its removal from solution. Titanium dioxide (TiO 2 ) is considered very close to an ideal semiconductor for photocatalysis because of its high stability, low cost and safety toward both humans and the environment.*Corresponding author (email: shipra.mital@gmail.com)In 1964, Kato et al.[1] published their work on the photocatalytic oxidation of tetralin (1,2,3,4-tetrahydronaphthalene) by a TiO 2 suspension, which was followed by McLintock et al. [2] investigating the photocatalytic oxidation of ethylene and propylene in the presence of oxygen adsorbed on TiO 2 . However, the most important discovery that extensively promoted the field of photocatalysis was the "Honda-Fujishima Effect" first described by Fujishima and Honda in 1972 [3]. This well-known chemical phenomenon involves electrolysis of water, which is related to photocatalysis. Photoirradiation of a TiO 2 (rutile) single crystal electrode immersed in an aqueous electrolyte solution induced the evolution of oxygen from the TiO 2 electrode and the evolution of hydrogen from a platinum counterelectrode when an anodic bias was applied to the TiO 2 working electrode. In 1977, Frank and Bard [4] examined the reduction of ...

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Section: Chemical Structure Of Tiomentioning

confidence: 99%

“…These are TiO 2 (II) [29] with a PbO 2 structure and TiO 2 (H) [30] with a hollandite structure. In this review, only the crystal structures (Table 1) [31][32][33] and properties of the rutile, anatase and brookite polymorphs are considered.…”

Section: Chemical Structure Of Tiomentioning

confidence: 99%

A review of TiO2 nanoparticles

2011

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“…[12][13][14] A wide plethora of reported studies already exist on the spectroscopic analysis of TiO 2 metal dioxide clusters giving information about the structure and bonding in clusters. 15 It is being addressed the electronic structure information about (TiO 2 ) n clusters with n ¼ 1-10 using photoelectron spectroscopy (PES) and the magnetism for anatase phase clusters has been observed experimentally by Wei et al 16 Chiodo et al 17 and Mo et al 18 have studied the electronic, structural, and optical properties of titanium dioxide clusters employing ab-initio calculations. Relative stability of (TiO 2 ) n cluster for different symmetries was studied by Albaret et al using Density Functional Theory (DFT).…”

Section: Introductionmentioning

confidence: 99%

Ab-initio study of free standing TiO2 clusters: Stability and magnetism

Rana

Kumar

Solanki

et al. 2013

Journal of Applied Physics

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We report the structural behavior of nanoscale Titanium Dioxide (TiO 2 ) clusters as well as their magnetic properties by varying the cluster size with the help of ground state geometries. The clusters of atomic scale rutile (TiO 2 ) n , where n ¼ 1-11, have been considered and geometrically stabilized through the Density Functional Theory as implemented in Vienna ab-initio Simulation Package. It is being observed that as the size of cluster increases from n ¼ 2 to 11, the total energy decreases. The results of formation energy reveal the fact that as the cluster grows, it moves towards the stability and it is observed that n ¼ 11 is the most stable structure. The stabilized clusters are different in geometries and co-ordination numbers. Finally, all the clusters have been investigated with self consistent treatment of spin orbit coupling for magnetism studies. The magnetic properties of free clusters depict oscillatory behavior for magnetic moment with respect to the cluster size. V C 2013 American Institute of Physics. [http://dx

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“…It has chemical and physical stability as well as a wide band-gap (3.2 eV) under ultraviolet light [6][7][8]. TiO2 has three types of crystallographic structures: anatase, rutile, and brookite [9,10]. Anatase is known, despite its metastable characteristics at ambient temperature, to possess the highest photocatalytic activity because of its large surface area compared to rutile and brookite [11][12][13][14].…”

Section: Introductionmentioning

confidence: 99%

Preparationand Characterization of Rutile-anatase Hybrid TiO₂Thin Film by Hydrothermal Synthesis

Kwon¹,

Song²,

Im³

et al. 2014

Clean Technology

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주제어 : TiO2 필름, 염료감응형 태양전지, 루타일-아나타제 TiO2, 수열합성, TiCl4 처리 Abstract : Nanoporous TiO2 films are commonly used as working electrodes in dye-sensitized solar cells (DSSCs). So far, there have been attempts to synthesize films with various TiO2 nanostructures to increase the power-conversion efficiency. In this work, vertically aligned rutile TiO2 nanorods were grown on fluorinated tin oxide (FTO) glass by hydrothermal synthesis, followed by deposition of an anatase TiO2 film. This new method of anatase TiO2 growth avoided the use of a seed layer that is usually required in hydrothermal synthesis of TiO2 electrodes. The dense anatase TiO2 layer was designed to behave as the electron-generating layer, while the less dense rutile nanorods acted as electron-transfer pathwaysto the FTO glass. In order to facilitate the electron transfer, the rutile phase nanorods were treated with a TiCl4 solution so that the nanorods were coated with the anatase TiO2 film after heat treatment. Compared to the electrode consisting of only rutile TiO2, the power-conversion efficiency of the rutile-anatase hybrid TiO2 electrode was found to be much higher. The total thickness of the rutile-anatase hybrid TiO2 structures were around 4.5-5.0 µm, and the highest power efficiency of the cell assembled with the structured TiO2 electrode was around 3.94%.

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Electronic and optical properties of three phases of titanium dioxide: Rutile, anatase, and brookite

Cited by 990 publications

References 66 publications

A review of TiO2 nanoparticles

A review of TiO2 nanoparticles

Ab-initio study of free standing TiO2 clusters: Stability and magnetism

Preparationand Characterization of Rutile-anatase Hybrid TiO₂Thin Film by Hydrothermal Synthesis

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Electronic and optical properties of three phases of titanium dioxide: Rutile, anatase, and brookite

Cited by 990 publications

References 66 publications

A review of TiO2 nanoparticles

A review of TiO2 nanoparticles

Ab-initio study of free standing TiO2 clusters: Stability and magnetism

Preparationand Characterization of Rutile-anatase Hybrid TiO2Thin Film by Hydrothermal Synthesis

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Product

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Preparationand Characterization of Rutile-anatase Hybrid TiO₂Thin Film by Hydrothermal Synthesis