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Synthesis of TiO <sub/>2</sub> (B) and High-temperature Stable Anatase TiO <sub/>2</sub> Nanowires by Hydrothermal Method and Investigation of Photocatalytic Activity
摘要： In this study, TiO2 nanowires (TNWs) were synthesized through hydrothermal method and were characterized using X-Ray diffraction (XRD), transmission electron microscopy (TEM) and BET techniques. Monoclinic TiO2 (B) is the dominant phase of TNWs up to 600 ℃ which is completely transformed into a highly crystalline anatase phase at 800 ℃. The photocatalytic activity of TNWs, prepared at various calcination temperatures, was investigated in the removal of Rhodamine B (RhB) as an organic model pollutant. The results indicated that the photocatalytic activity of TNWs, prepared at 800 ℃ calcination temperature (TNWs-800), was better than that of other samples and even TiO2-P25 nanoparticles.
关键词： Anatase TiO2 nanowires,Photocatalytic activity,TiO2 (B),Hydrothermal method,High-temperature
更新于2025-09-10 09:29:36
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Effect of precursor dopant valence state on the photocatalytic performance of Mo3+- or Mo5+-Doped TiO2 thin films
摘要： Mo3+- or Mo5+-doped TiO2 sol-gel thin films (≤0.100 mol%) were spin coated on fused silica glass substrates and annealed at 450°C for 2 h. The effect of the valence of the dopant precursor is significant to the nanostructural development and resultant properties. Mo3+ or Mo5+ doping yields converse trends with doping level, thus reflecting the competing influences of lattice distortion and destabilization (dominating Mo3+ doping) and nucleation and recrystallization (dominating Mo5+ doping). Mo doping results in oxidation of Mo3+ and reduction of Mo5+, both of which alter to Mo(5-x)+, as well as oxidation of Ti3+ to Ti(4+x)+; all of these result in (cid:1)(cid:2) annihilation. Although the absorption edges were largely indistinguishable Mo3+ doping causes a red shift and Mo5+ doping causes a blue shift. These data suggest that the performances are controlled by the synergistic effects of crystallinity, surface area, and band gap, with the latter’s exhibiting the dominant effect. This suggests that the defect structure governs the photocatalytic performance but also that the defect chemistry at these low annealing temperatures is indicative of nonequilibrium conditions, thereby explaining the significance of the dopant valence.
关键词： Photocatalysis,Dopant Valence,Anatase,Thin Film,Titania
更新于2025-09-10 09:29:36
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(TiO <sub/>2</sub> ) <sub/>1?x</sub> (TaON) <sub/>x</sub> Solid Solution for Band Engineering of Anatase TiO <sub/>2</sub>
摘要： Band engineering of anatase TiO2 was achieved by means of an anatase (TiO2)1?x(TaON)x (TTON) solid solution. Epitaxial thin films of TTON (0.1 ≤ x ≤ 0.9) were synthesized by nitrogen plasma-assisted pulsed laser deposition on (LaAlO3)0.3(SrAl0.5Ta0.5O3)0.7 substrates. Epitaxial growth of anatase TTON was confirmed by X-ray diffraction. The lattice constants of the TTON thin films increased with TaON content in accordance with Vegard’s law, indicating formation of a complete solid solution. The bandgaps, band alignment, and refractive indices of the TTON thin films were investigated by combination of spectroscopic ellipsometry and X-ray photoelectron spectroscopy. The bandgap of the anatase TTON systematically decreased with increasing x, mainly because of an upward shift in the valence band maximum caused by broadening of the valence band as a result of hybridization of the shallow N 2p orbital. The position of the conduction band minimum was rather insensitive to chemical composition, which makes the band alignment of anatase TTON suitable for photocatalytic water splitting with visible light. The refractive index of anatase TTON monotonically increased with an increase in x.
关键词： Epitaxial thin films,Vegard’s law,X-ray photoelectron spectroscopy,TTON solid solution,Band engineering,Photocatalytic water splitting,Spectroscopic ellipsometry,Nitrogen plasma-assisted pulsed laser deposition,Anatase TiO2
更新于2025-09-10 09:29:36
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Preparation of TiO <sub/>2</sub> nanoparticles by hydrolysis of TiCl <sub/>4</sub> using water and glycerol solvent system
摘要： The anatase phase TiO2 nanoparticles (NPs) were synthesized by precipitation method using TCl4 as a precursor in a new reaction medium containing water and glycerol. The as-synthesized photocatalysts were characterized by Raman spectroscopy, Fourier Transform Infra-red Spectroscopy (FT-IR), UV-Visible spectroscopy and Field Emission Scanning Electron Microscopy (FESEM). The Raman spectra indicate the formation of crystalline anatase phase TiO2 NPs after calcination at 300 and 4000C. TiO2 NPs formation was confirmed by observing the major characteristic, FT-IR vibration bands of Ti-O network. The band gap calculated from UV-Vis DRS spectra ranged from 3.02-3.28 eV. FESEM images exhibit spherical shape TiO2 NPs in the form of nano-clusters with crystallite sizes ranged from 9.50-26.14 nm. FESEM images show that as the calcination temperature increases, the sizes of the TiO2 NPs also increase. The inclusion of glycerol promotes the formation of smaller particles and lowers the band gap of TiO2 NPs.
关键词： precipitation method,TiO2 nanoparticles,hydrolysis,anatase phase,Raman spectroscopy,FESEM,UV-Visible spectroscopy,water and glycerol solvent system,FT-IR,TiCl4
更新于2025-09-09 09:28:46
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Antibacterial and photocatalytic activity of anatase phase Ag-doped TiO2 nanoparticles
摘要： A simple and new solid-state molten-salt method to synthesise silver (Ag)-doped titanium dioxide (TiO2) nanoparticles for solar light-induced photocatalytic applications is examined. Ag-doped TiO2 nanoparticles with varied Ag content ranging from 3 to 10% were synthesised by a single-step molten-salt synthesis method. The effect of Ag content on the antibacterial and photocatalytic activity of nanoparticles was tested. The prepared nanoparticles were studied by scanning electron microscopy (SEM), energy-dispersive X-ray (EDX) spectrometry, ultraviolet–visible (UV–vis) diffusive re?ectance spectrometer (UV–vis DRS) and powder X-ray diffraction. The SEM image of nanoparticles clearly showed the presence of agglomerated spherical particles. The EDX analysis of the particles con?rmed successful doping of particles in the presence of the Ag in the particles. The doping of Ag in TiO2 produced TiO2 pure anatase phase. According to UV–vis DRS results, increasing Ag-doped content in the Ag-doped TiO2 resulted in a higher visible absorption capability of the materials. Ag doping also improved the antibacterial and photocatalytic activity of TiO2 nanoparticles. The maximum photocatalytic activity under light irradiation was observed for 5% Ag-doped TiO2.
关键词： antibacterial activity,anatase phase,photocatalytic activity,molten-salt method,Ag-doped TiO2
更新于2025-09-09 09:28:46
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Characterisation and photocatalytic assessment of TiO2 nano-polymorphs: Influence of crystallite size and influence of thermal treatment on paint coatings and dye fading kinetics
摘要： A study on the thermal effects on TiO2 rutile and anatase nano-powders was undertaken and displayed some unusual photoactivity and crystal structure properties. Rutile nano-particles with different crystallite sizes were characterised and the possible effect on activity were investigated. One of the rutile samples appeared to have trace amounts of anatase and was annealed at high temperatures at 1172 K and 1272 K to highlight the thermodynamic stability phenomenon of titania. Parallel to this study, anatase nano-particles were investigated before and after being annealed up to 1022 K. For all the samples used in this work, characterisation was undertaken using micro-Raman microscopy/XRD and Scanning Electron Microscopy (SEM) while photoactivity assessment was made by measuring and monitoring the photodegradation of a mixture of dye methyl-orange (MeO) and nano-powders under UV-light for 3h30 minutes in suspension. The study revealed that rutile nano-powder samples were thermodynamically stable even at very high temperatures and poorly active but with an unusual photoactive feature. Concerning the anatase samples; SEM investigation revealed a questioning size growth as the samples showed a different particle size depending on the temperature of thermal treatment. It revealed that annealing at 672 K seemed to be a key temperature as the particles change from a polyhedral structure to a two-dimensional structure showing a platelet like shape. The photocatalytic studies of the anatase nano-particles showed a very high activity especially before annealing. This highlighted the fact that the anatase phase can subsist at high temperatures such as 1022 K and exhibit a persistence in photoactivity even though it has decreased significantly after 672 K. SEM analysis was in accordance with the photoactivity investigation. Nevertheless, the most interesting feature of the results emanates from the reaction order study and rate constant analysis taken from the kinetic shape of the graph of the degradation of MeO as a function of the irradiation time for the different particle sized rutile nanoparticles. Here a zero-order reaction was determined and as a consequence raised questions about the theory of the mechanism of the activities of titania in terms of surface chemistry, surface area dependence and photoactivity. For example, for the nano-rutiles the sample with a 25 nm crystallite size was the most active and the sample with the smallest crystallite size (15nm) was the least active and yet was found to contain trace levels of nano-anatase. This effect was also substantiated by UV absorption and weathering studies on doped isocyanate-acrylic paint films. UV analysis clearly shows that the absorptivity of the nanoparticles plays a role and correlates with the photoactivity. The 15nm particles have decreased absorptivity in the near UV and hence decreased activity.
关键词： nano-particles,titanium dioxide,crystal size,temperature treatment,anatase,isocyanate-acrylic paint,methyl orange,rutile,photocatalysis
更新于2025-09-09 09:28:46
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[IEEE 2018 Iranian Conference on Electrical Engineering (ICEE) - Mashhad (2018.5.8-2018.5.10)] Electrical Engineering (ICEE), Iranian Conference on - Investigating the Electronic Properties of Oxygen Vacancies in Anatase TiO2: An Ab Initio Study
摘要： Metal oxide dielectrics are known as promising candidates for resistive switching or memristor applications. TiO2 has been shown to be one of the favorites for the implementation of resistive switching devices. The mobile oxygen vacancies in TiO2 are recognized as the main source of resistive switching behavior. Therefore, the investigation of atomic scale properties of oxygen vacancies is of crucial importance for the description of microscopic phenomena leading to the resistive switching behavior. In the present work we employed standard DFT within the GGA approximation as well as GGA+U correction to investigate the electronic properties of oxygen vacancies in anatase phase of TiO2. We show that the Hubbard- like term (U) is essential for the correct description of the electronic properties. The defect formation energies at different charged states and the charge transition levels are calculated for different values of U-term. It has been shown that a value of U=3.5 eV is the best choice to obtain reasonable results for the band gap as well as the position of induced defect levels, at same time. Moreover, we show that the q=+2 charged state is the energetically most favorable state for the oxygen vacancy in TiO2.
关键词： metal oxides,DFT,resistive switching,charge transition levels,oxygen vacancy,Hubbard-like term,anatase TiO2
更新于2025-09-09 09:28:46
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Direct nanocrystallite size investigation in microstrained mixed phase TiO2 nanoparticles by PCA of Raman spectra
摘要： Mixed phase anatase and rutile TiO2 nanoparticles (30-67 % R/A) have been synthesized by single step laser pyrolysis. Parallel studies by XRD and Raman spectroscopy suggested possible deforming microstress inside certain samples, due to boundary interactions between neighbouring nanocrystallites in nanoparticles, phase instabilities and/or O/C contents. Microstress in nanoparticles supports anatase phase stability in competition with rutile phase. Williamson-Hall plot was used to evaluate crystallite size and strain. A tensile global microstrain in anatase crystallites, was observed for elevated C content titania nanoparticles, together with compressive microstrain in crystallites within O deficient TiO2 nanoparticles. XPS and TEM characterization opens insights into the processes behind this type of behaviour. Principal Component Analysis of Raman spectra was applied for batch auto-characterization of mixed phase nanoparticles, with emphasis upon the method ability to simultaneously appreciate crystallite size for both anatase and rutile phase. The method focuses on covariational matrix of multiple samples Raman spectra. It provides results in good agreement with XRD calculated crystallite dimensions for unstrained titania, while for samples with microstrains it returns the size closer to the one predicted by Williamson-Hall plot.
关键词： Microstrain,Anatase,Principal Component Analysis (PCA),Raman Spectroscopy,Williamson-Hall,Rutile,TiO2 nanoparticles
更新于2025-09-09 09:28:46
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Enhanced Photocatalytic Removal of Cr(VI) over 0D/2D Anatase/Graphene and Its Synergism with Organic Pollutants under Visible Light Irradiation
摘要： In this study, a novel anatase/graphene (0D/2D)-based composite photocatalyst is synthesized through a facile hydrothemal method using graphene oxide (GO), titanium sulfate (Ti(SO4)2) and hydrazine hydrate (N2H4.H2O) as precursors. The study reveals that the surface-dispersed anatase nanoparticles adhere well to the flake-like graphene. Compared with pure anatase nanoparticles, the anatase/graphene composite showed a significantly modified crystal structure in the crystallinity of the anatase phase and surface area. The involvement of graphene also dramatically enhanced the absorption of visible light and provided a shift in the absorption edge towards red wavelengths. From the analysis of the fluorescence spectra, it is demonstrated that the recombination dynamics of the photogenerated charge (electron-hole) pairs can be effectively inhibited by the compounded graphene and hence improve the efficiency of the charge carrier separation. The dramatically improved reduction of Cr(VI) is achieved through the visible light photocatalytic activity provided by the anatase/graphene composite. The rate of the reaction measured for the composite is 4.83-fold and 9.78-fold greater than that of the pure anatase under ultraviolet and visible light irradiation, respectively. Moreover, the synergism of the RhB degradation with the reduction of Cr(VI) also dramatically improves the latter. Additionally, we present an analysis of a potential alternate system for the improvement of photocatalytic activity.
关键词： synergism effect,Cr(VI) reduction,photocatalysis,0D/2D,anatase/graphene
更新于2025-09-09 09:28:46
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Transformation of Commercial TiO <sub/>2</sub> into Anatase with Improved Activity of Fe, Cu and Cu–Fe Oxides Loaded TiO <sub/>2</sub>
摘要： In the present study copper and iron oxides loaded TiO2 catalysts are prepared by the deposition-precipitation method (DP) and the photocatalytic efficiency of these catalysts are tested for the degradation of Rose Bengal dye (Acid Red 94) under sunlight. The catalysts are characterized by XRD, TEM and UV-vis diffuse reflectance spectral analysis. It is interesting to note that the rutile form of commercial TiO2 is competently converted into anatase after loading oxides of Cu, Fe and Cu–Fe on TiO2 as evident from XRD analysis. This result is consistence with the result obtained in UV-vis diffuse reflectance spectra. TEM analysis confirms the nano particles of Cu and Fe deposited on TiO2. Photocatalytic studies were performed in a batch reactor under solar radiation. Preliminary studies are performed to understand the photocatalytic degradability of the dye and optimization of catalyst weight and dye concentration. Kinetic studies were done at different dye concentrations and it was found that the rate equation followed first order kinetics and obeyed Langmuir–Hinshelwood model. The comparison of the activity of blank TiO2, copper or/and iron oxides loaded TiO2 catalysts showed that the Cu and Fe oxide loaded catalysts are more active than pure TiO2 and also the Cu–Fe oxides co-loaded TiO2 catalysts showed much best activity. The order of activity of the catalysts is in the following order: Cu–Fe/TiO2 > Cu/TiO2 > Fe/TiO2 > TiO2. The enhanced activity of metal oxide loaded TiO2 is attributed to the presence of TiO2 in anatase form after loading, which enhanced the charge transfer from the TiO2 to adsorbed molecules for reaction.
关键词： Sunlight,TiO2,Rutile into Anatase,Photocatalyisis,Cu/Fe Loading,Rose Bengal Dye
更新于2025-09-09 09:28:46