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Sample records for nanocrystalline anatase tio2

  1. Photocatalytic degradation of dyes and organic contaminants in water using nanocrystalline anatase and rutile TiO2

    Directory of Open Access Journals (Sweden)

    Rajesh J. Tayade et al

    2007-01-01

    Full Text Available Nanocrystalline TiO2 was synthesized by controlled hydrolysis of titanium tetraisopropoxide. The anatase phase was converted to rutile phase by thermal treatment at 1023 K for 11 h. The catalysts were characterized by X-ray diffraction (XRD, diffuse reflectance spectroscopy (DRS, Fourier-transform infrared absorption spectrophotometry (FT-IR and N2 adsorption (BET at 77 K. This study compare the photocatalytic activity of the anatase and rutile phases of nanocrystalline TiO2 for the degradation of acetophenone, nitrobenzene, methylene blue and malachite green present in aqueous solutions. The initial rate of degradation was calculated to compare the photocatalytic activity of anatase and rutile nanocrystalline TiO2 for the degradation of different substances under ultraviolet light irradiation. The higher photocatalytic activity was obtained in anatase phase TiO2 for the degradation of all substances as compared with rutile phase. It is concluded that the higher photocatalytic activity in anatase TiO2 is due to parameters like band-gap, number of hydroxyl groups, surface area and porosity of the catalyst.

  2. Shape-dependence of the thermal and photochemical reactions of methanol on nanocrystalline anatase TiO2

    Science.gov (United States)

    Bennett, David A.; Cargnello, Matteo; Diroll, Benjamin T.; Murray, Christopher B.; Vohs, John M.

    2016-12-01

    Structure-activity relationships and the influence of particle size and shape on the partial- and photo-oxidation of methanol on nanocrystalline anatase TiO2 were investigated using temperature-programmed desorption. The study employed two distinct nanoparticle morphologies: truncated bipyramids exposing primarily {101} facets, and flatter platelets exposing primarily {001} surfaces, whose nominal sizes ranged from 10 to 25 nm. The platelets were found to be more active for thermally-driven reactions, such as coupling of methoxide groups to produce dimethyl ether, and deoxygenation to produce methane. A dependence of the reactivity of {001} facets for the coupling of methoxide groups to produce dimethyl ether on facet size was also observed. In contrast to the thermally-driven reactions, the bipyramidal nanoparticles were observed to be more active for a range of photochemical reactions, including oxidation and coupling to produce methyl formate, and photo-decomposition of surface methoxide species. This study also shows how well-defined nanocrystals can be used to help bridge the materials gap between studies of single crystal model catalysts and their high surface area industrial analogs.

  3. Synthesis and visible light photoactivity of anatase Ag, and garlic loaded TiO2 nanocrystalline catalyst

    Science.gov (United States)

    An excellent visible light activated Ag and S doped TiO2 nanocatalyst was prepared by using AgNO3 and garlic (Allium sativum) as Ag+ and sulfur sources, respectively. The catalyst resisted the change from anatase to rutile phase even at calcination at 700 oC. The photocatalytic e...

  4. Coupling of Nanocrystalline Anatase TiO2 to Porous Nanosized LaFeO3 for Efficient Visible-Light Photocatalytic Degradation of Pollutants

    Directory of Open Access Journals (Sweden)

    Muhammad Humayun

    2016-01-01

    Full Text Available In this work we have successfully fabricated nanocrystalline anatase TiO2/perovskite-type porous nanosized LaFeO3 (T/P-LFO nanocomposites using a simple wet chemical method. It is clearly demonstrated by means of atmosphere-controlled steady-state surface photovoltage spectroscopy (SPS responses, photoluminescence spectra, and fluorescence spectra related to the formed OH− radical amount that the photogenerated charge carriers in the resultant T/P-LFO nanocomposites with a proper mole ratio percentage of TiO2 display much higher separation in comparison to the P-LFO alone. This is highly responsible for the improved visible-light activities of T/P-LFO nanocomposites for photocatalytic degradation of gas-phase acetaldehyde and liquid-phase phenol. This work will provide a feasible route to synthesize visible-light responsive nano-photocatalysts for efficient solar energy utilization.

  5. Growth and structure of MBE grown TiO2 anatase films with rutile nano-crystallites

    Energy Technology Data Exchange (ETDEWEB)

    Shao, Rui; Wang, Chong M.; McCready, David E.; Droubay, Timothy C.; Chambers, Scott A.

    2007-03-15

    We have grown TiO2 anatase films with rutile nanocrystalline inclusions using molecular beam epitaxy under different growth conditions. This model system is important for investigating the role of rutile/anatase interfaces in heterogeneous photocatalysis. To control the film structure, we grew a pure anatase (001) layer at a slow rate and then increased the growth rate to drive the nucleation of rutile particles. Structure analysis indicates that the rutile phase has four preferred orientations in the anatase film.

  6. Dye-Sensitized Solar Cells with Anatase TiO2 Nanorods Prepared by Hydrothermal Method

    Directory of Open Access Journals (Sweden)

    Ming-Jer Jeng

    2013-01-01

    Full Text Available The hydrothermal method provides an effective reaction environment for the synthesis of nanocrystalline materials with high purity and well-controlled crystallinity. In this work, we started with various sizes of commercial TiO2 powders and used the hydrothermal method to prepare TiO2 thin films. We found that the synthesized TiO2 nanorods were thin and long when smaller TiO2 particles were used, while larger TiO2 particles produced thicker and shorter nanorods. We also found that TiO2 films prepared by TiO2 nanorods exhibited larger surface roughness than those prepared by the commercial TiO2 particles. It was found that a pure anatase phase of TiO2 nanorods can be obtained from the hydrothermal method. The dye-sensitized solar cells fabricated with TiO2 nanorods exhibited a higher solar efficiency than those fabricated with commercial TiO2 nanoparticles directly. Further, triple-layer structures of TiO2 thin films with different particle sizes were investigated to improve the solar efficiency.

  7. Energetics of nanocrystalline TiO2

    Science.gov (United States)

    Ranade, M. R.; Navrotsky, A.; Zhang, H. Z.; Banfield, J. F.; Elder, S. H.; Zaban, A.; Borse, P. H.; Kulkarni, S. K.; Doran, G. S.; Whitfield, H. J.

    2002-01-01

    The energetics of the TiO2 polymorphs (rutile, anatase, and brookite) were studied by high temperature oxide melt drop solution calorimetry. Relative to bulk rutile, bulk brookite is 0.71 ± 0.38 kJ/mol (6) and bulk anatase is 2.61 ± 0.41 kJ/mol higher in enthalpy. The surface enthalpies of rutile, brookite, and anatase are 2.2 ± 0.2 J/m2, 1.0 ± 0.2 J/m2, and 0.4 ± 0.1 J/m2, respectively. The closely balanced energetics directly confirm the crossover in stability of nanophase polymorphs inferred by Zhang and Banfield (7). An amorphous sample with surface area of 34,600 m2/mol is 24.25 ± 0.88 kJ/mol higher in enthalpy than bulk rutile. PMID:11880610

  8. High-pressure polymorphs of anatase TiO2

    DEFF Research Database (Denmark)

    Arlt, T.; Bermejo, M.; Blanco, M. A.

    2000-01-01

    The equation of state of anatase TiO2 has been determined experimentally-using polycrystalline as well as single-crystal material-and compared with theoretical calculations using the ab initio perturbed ion model. The results are highly consistent, the zero-pressure bulk modulus being 179(2) GPa...

  9. Infrared study of laser synthesized anatase TiO2 nanopowders

    Science.gov (United States)

    Grujic-Brojcin, M.; Scepanovic, M. J.; Dohcevic-Mitrovic, Z. D.; Hinic, I.; Matovic, B.; Stanisic, G.; Popovic, Z. V.

    2005-05-01

    Nanosized titanium dioxide (TiO2) is synthesized by laser-induced pyrolysis using titanium isopropoxide as a liquid precursor. The specific surface area of as-produced nanopowders measured by the Brunauer-Emmett-Teller method (BET) varies from 84 to 110 m2 g-1. X-ray diffraction (XRD) and Raman scattering showed that the TiO2 nanocrystals had an anatase structure. The grain size of the nanoparticles was estimated from scanning electron microscopy, XRD and BET measurements. The reflection spectra of nanocrystalline TiO2 pressed pellets has been measured in the region between 80 and 1500 cm-1 by Fourier transform infrared spectroscopy. To interpret the experimental results, a model based on a generalized Bruggeman effective medium approximation of a dielectric function has been proposed. It is based on the polycrystalline character of TiO2 nanoparticles including island-structure and porosity of the nanopowders, along with the anatase single crystal dielectric functions. Thus, by comparing the results of calculated and experimental infrared (IR) spectra, the values of microscopic parameters of nanocrystalline powders can be deduced.

  10. Low-temperature electrodeposition approach leading to robust mesoscopic anatase TiO2 films.

    Science.gov (United States)

    Patra, Snehangshu; Andriamiadamanana, Christian; Tulodziecki, Michal; Davoisne, Carine; Taberna, Pierre-Louis; Sauvage, Frédéric

    2016-02-25

    Anatase TiO2, a wide bandgap semiconductor, likely the most worldwide studied inorganic material for many practical applications, offers unequal characteristics for applications in photocatalysis and sun energy conversion. However, the lack of controllable, cost-effective methods for scalable fabrication of homogeneous thin films of anatase TiO2 at low temperatures (ie. < 100 °C) renders up-to-date deposition processes unsuited to flexible plastic supports or to smart textile fibres, thus limiting these wearable and easy-to-integrate emerging technologies. Here, we present a very versatile template-free method for producing robust mesoporous films of nanocrystalline anatase TiO2 at temperatures of/or below 80 °C. The individual assembly of the mesoscopic particles forming ever-demonstrated high optical quality beads of TiO2 affords, with this simple methodology, efficient light capture and confinement into the photo-anode, which in flexible dye-sensitized solar cell technology translates into a remarkable power conversion efficiency of 7.2% under A.M.1.5G conditions.

  11. Band alignment of rutile and anatase TiO2

    Science.gov (United States)

    Scanlon, David O.; Dunnill, Charles W.; Buckeridge, John; Shevlin, Stephen A.; Logsdail, Andrew J.; Woodley, Scott M.; Catlow, C. Richard A.; Powell, Michael. J.; Palgrave, Robert G.; Parkin, Ivan P.; Watson, Graeme W.; Keal, Thomas W.; Sherwood, Paul; Walsh, Aron; Sokol, Alexey A.

    2013-09-01

    The most widely used oxide for photocatalytic applications owing to its low cost and high activity is TiO2. The discovery of the photolysis of water on the surface of TiO2 in 1972 launched four decades of intensive research into the underlying chemical and physical processes involved. Despite much collected evidence, a thoroughly convincing explanation of why mixed-phase samples of anatase and rutile outperform the individual polymorphs has remained elusive. One long-standing controversy is the energetic alignment of the band edges of the rutile and anatase polymorphs of TiO2 (ref. ). We demonstrate, through a combination of state-of-the-art materials simulation techniques and X-ray photoemission experiments, that a type-II, staggered, band alignment of ~ 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.

  12. Surface hydroxyl groups direct cellular response on amorphous and anatase TiO2 nanodots.

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    Hong, Yi; Yu, Mengfei; Lin, Jun; Cheng, Kui; Weng, Wenjian; Wang, Huiming

    2014-11-01

    In this study, we investigated the differences between amorphous and anatase TiO2 at the biomolecular level which could explain differences in the osteoblast response on these surfaces. The number of surface hydroxyl groups in the TiOHT form on amorphous and anatase TiO2 was found to be the most important factor, resulting in adsorption of bovine serum albumin as a monolayer on amorphous TiO2 nanodots but as a multilayer on anatase TiO2 nanodots. The reason for this is that the presence of more TiOHT groups on amorphous TiO2 nanodots attracts more -NH3+ groups on BSA molecules, causing the conformation of surface-bound BSA molecules to differ from those adsorbed on anatase TiO2 nanodots. Fibronectin which is subsequently adsorbed on anatase TiO2 nanodots then retains a more active conformation for osteoblast adhesion and mineralization.

  13. Preparation and photocatalytic activity of bicrystal phase TiO2 nanotubes containing TiO2-B and anatase

    Science.gov (United States)

    Huang, Chuanxi; Zhu, Kerong; Qi, Mengyao; Zhuang, Yonglong; Cheng, Chao

    2012-06-01

    Bicrystal phase TiO2 nanotubes (NTS) containing monoclinic TiO2-B and anatase were prepared by the hydrothermal reaction of anatase nanoparticles with NaOH aqueous solution and a heat treatment. Their structure was characterized by XRD, TEM and Raman spectra. The results showed that the bicrystal phase TiO2 NTS were formed after calcining H2Ti4O9·H2O NTS at 573 K. The bicrystal phase TiO2 NTS exhibit significantly higher photocatalytic activity than the single phase anatase NTS and Dessuga P-25 nanoparticles in the degradation of Methyl Orange aqueous solution under ultraviolet light irradiation, which is attributed to the large surface and interface areas of the bicrystal phase TiO2 NTS.

  14. Effects of Nitrogen Doping on Microstructure and Photocatalytic Activity of Nanocrystalline TiO2 Powders

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    Nitrogen-doped TiO2 nanocrystalline powders were prepared by hydrolysis of tetrachloride titanium (TiCl4) in a mixed solution of ethanol and ammonium nitrate (NH4NO3) at ambient temperature and atmosphere followed by calcination at 400 C for 2 h in air. FTIR spectra demonstrate that amine group in original gel is eliminated by calcination, and the TiO2 powder is liable to absorb water onto its surface and into its capillary pore. XRD and SEM results show that the average size of nanocrystalline TiO2 particles is no more than 60 nm and with increasing the calcination temperature, the size of particles increases. XPS studies indicate the nitrogen atom enters into the TiO2 lattice and occupies the position of oxygen atom. The nitrogen doping not only depresses the grain growth of TiO2 particles, but also reduces the phase transformation temperature of anatase to rutile. The photocatalytic activity of the nitrogen-doped TiO2 powders has been evaluated by experiments ofphotocatalytic degradation aqueous methylene blue.

  15. Anatase TiO2 sheet-assisted synthesis of Ti(3+) self-doped mixed phase TiO2 sheet with superior visible-light photocatalytic performance: Roles of anatase TiO2 sheet.

    Science.gov (United States)

    Zhang, Xiaojie; Zuo, Guoqing; Lu, Xin; Tang, Changqing; Cao, Shuo; Yu, Miao

    2017-03-15

    On the basis of measurements, such as field emission scanning electron microscope, UV-Vis diffuse reflectance spectra, X-ray diffraction, electron paramagnetic resonance, photoluminescence spectra, and photocurrent measurements, the roles of anatase TiO2 sheet on synthesizing Ti(3+) self-doped mixed phase TiO2 nanosheets (doped TiO2 (A/R, TiO2 (A))) and on improving the performance for photocatalytic CO2 reduction were explored systematically. High surface area anatase TiO2 nanosheets (TiO2 (A)) as a substrate, structure directing agent, and inhibitor, mediated the synthesis of Ti(3+) self-doped mixed phase TiO2 nanosheets. Addition of TiO2 (A) significantly improved not only visible light absorption of doped TiO2 (A/R, TiO2 (A)), but also the efficiency of photo-excited charges separations due to the existence of interfacial regions of anatase-rutile TiO2 junctions. Finally, a possible mechanism for interfacial charge transfer at the anatase-rutile TiO2 interface and for photocatalytic CO2 reduction over Pt loaded doped TiO2 (A/R, TiO2 (A)) were proposed.

  16. Hydrogen donor in anatase TiO2

    Science.gov (United States)

    Lavrov, E. V.

    2016-01-01

    An IR absorption study of hydrogen-related defects in natural single-crystalline anatase TiO2 has been carried out. A complex with IR absorption lines at 3412 and 3417 cm-1 is shown to act as a donor with ionization energy of tens of meV. The two lines are identified as stretching local vibrational modes of the O-H bonds of the donor in the neutral and positive charge states, respectively. The defect is unstable against annealing at approximately 300 ∘C and a storage at room temperature on the time scale of a few weeks. These findings suggest that interstitial hydrogen is a plausible model of this defect.

  17. Highly thermal stable and highly crystalline anatase TiO2 for photocatalysis.

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    Li, Wei; Bai, Yang; Liu, Chang; Yang, Zhuhong; Feng, Xin; Lu, Xiaohua; van der Laak, Nicole K; Chan, Kwong-Yu

    2009-07-15

    In the absence of any doping and modification, the anatase-to-rutile phase transformation was inhibited at high temperatures giving rise to highly thermal stable and highly crystalline anatase TiO2 fibers. The initial formation of the TiO2(B) phase is found to be key in inhibiting this transformation. The intermediate structure of the TiO2 fiber comprises an inner anatase core with an outer TiO2(B) shell, which has a specific crystallographic orientation with respect to the anatase structure. During the calcination process from 300 to 800 degrees C, both the TiO2(B) shell and the bulk anatase crystal structure was preserved. At temperatures of 800-900 degrees C the TiO2(B)-to-anatase transformation was finished and a near-pure and thermally stable anatase fiber was obtained. This final product shows the same activity as a standard commercial photocatalyst Degussa P-25 when measured against unit mass, and 5 times the activity when measured with respect to the unit surface area. The anatase TiO2 fibers presented here have considerable interest as practical photocatalysts for water purification, as they can be easily recycled without a decrease in their photocatalytic activity and can be prepared at large scale and at low cost.

  18. Light scattering characteristicof TiO2 nanocrystalline porous films

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    TiO2 nanocrystalline porous films consisting of binary particles mixture (mean diameters of 12 and 100 nm) are capable of increasing the light absorption due to the possession of large specific surface area and light scattering property. The simultaneous reduction of the film thickness leads to a decrease of the recombination loss during electron transport and an increase of the photocurrent efficiency.

  19. Interaction between nanoparticulate anatase TiO2 and lactate dehydrogenase.

    Science.gov (United States)

    Duan, Yanmei; Li, Na; Liu, Chao; Liu, Huiting; Cui, Yaling; Wang, Han; Hong, Fashui

    2010-09-01

    In order to study the mechanisms underlying the effects of TiO(2) nanoparticles on lactate dehydrogenase (LDH, EC1.1.1.27), Institute of Cancer Research region mice were injected with nanoparticulate anatase TiO(2) (5 nm) of various doses into the abdominal cavity daily for 14 days. We then examined LDH activity in vivo and in vitro and direct evident for interaction between nanoparticulate anatase TiO(2) and LDH using spectral methods. The results showed that nanoparticulate anatase TiO(2) could significantly activate LDH in vivo and in vitro; the kinetics constant (Km) and Vmax were 0.006 microM and 1,149 unit mg(-1) protein min(-1), respectively, at a low concentration of nanoparticulate anatase TiO(2), and 3.45 and 0.031 microM and 221 unit mg(-1) protein min(-1), respectively, at a high concentration of nanoparticulate anatase TiO(2). By fluorescence spectral assays, the nanoparticulate anatase TiO(2) was determined to be directly bound to LDH, and the binding constants of the binding site were 1.77 x 10(8) L mol(-1) and 2.15 x 10(7) L mol(-1), respectively, and the binding distance between nanoparticulate anatase TiO(2) and the Trp residue of LDH was 4.18 nm, and nanoparticulate anatase TiO(2) induced the protein unfolding. It was concluded that the binding of nanoparticulate anatase TiO(2) altered LDH structure and function.

  20. Synthesis of anatase and rutile TiO2 nanostructures from natural ilmenite

    Science.gov (United States)

    Wahyuingsih, Sayekti; Ramelan, Ari Handono; Pramono, Edi; Sulistya, Ariantama Djati; Argawan, Panji Rofa; Dharmawan, Frenandha Dwi; Rinawati, Ludfiaastu; Hanif, Qonita Awliya; Sulistiyono, Eko; Firdiyono, Florentinus

    2016-02-01

    Nanostructure anatase and rutile type TiO2 were synthesized from dissolution roasted ilmenite from natural ilmenite sand as the starting materials. Anatase TiO2 and rutile TiO2 (high crystallinity) with the diameters of 20-100 nm were obtained by calcined soluble ilmenite sand produced by leaching process. Calcinations of the xerogel TiO2 from liquor products were conducted for 4 hours at temperature of 450 °C. The samples were characterized by XRD (X-ray diffraction), STA (simultant thermal analysis), TEM (Transmission Electron Microscopy), and BET surface area. Titania Anatase-Rutile form as a mixture were produced by titania slag with the hydrolysis product. While, in another route, complete titania anatase phase was produced through hydrolysis and condensation steps of leach liquors. This synthesis methods provide a simple route to fabricate nanostructure TiO2 from low cost material.

  1. Dye-Sensitized Solar Cells with Anatase TiO2 Nanorods Prepared by Hydrothermal Method

    OpenAIRE

    Ming-Jer Jeng; Yi-Lun Wung; Liann-Be Chang; Lee Chow

    2013-01-01

    The hydrothermal method provides an effective reaction environment for the synthesis of nanocrystalline materials with high purity and well-controlled crystallinity. In this work, we started with various sizes of commercial TiO2 powders and used the hydrothermal method to prepare TiO2 thin films. We found that the synthesized TiO2 nanorods were thin and long when smaller TiO2 particles were used, while larger TiO2 particles produced thicker and shorter nanorods. We also found that TiO2 films ...

  2. Highly active nanocrystalline TiO2 photoelectrodes

    Science.gov (United States)

    Paronyan, Tereza M.; Kechiantz, A. M.; Lin, M. C.

    2008-03-01

    A simple method for the fabrication of highly photoactive nanocrystalline two-layer TiO2 electrodes for solar cell applications is presented. Diluted titanium acetylacetonate has been used as a precursor for covering SnO2:F (FTO) films with dense packed TiO2 nanocrystallites. The nanoporous thick TiO2 film follows the dense packed thin TiO2 film as a second layer. For the latter, amorphous TiO2 nanoparticles have been successfully synthesized by a sol-gel technique in an acidic environment with pHacidic nanoparticle gel was neutralized by basic ammonia and a TiO2 gel of pH 5 was obtained; this pH value is higher than the recently reported value of 3.1 (Park et al 2005 Adv. Mater. 17 2349-53). Highly interconnected, nanoporous, transparent and active TiO2 films have been fabricated from the pH 5 gel. SEM, AFM and XRD analyses have been carried out for investigation of the crystal structure and the size of nanoparticles as well as the surface morphology of the films. Investigation of the photocurrent-voltage characteristics has shown improvement in cell performance along with the modification of the surface morphology, depending on pH of the TiO2 gel. Increasing the pH of the gel from 2.1 to 5 enhanced the overall conversion efficiency of the dye-sensitized solar cells by approximately 30%. An energy conversion efficiency of 8.83% has been achieved for the cell (AM1.5, 100 mWcm-2 simulated sunlight) compared to 6.61% efficiency in the absence of ammonia in the TiO2 gel.

  3. Light scattering of nanocrystalline TiO2 film used in dye-sensitized solar cells

    Institute of Scientific and Technical Information of China (English)

    Xiong Bi-Tao; Zhou Bao-Xue; Bai Jing; Zheng Qing; Liu Yan-Biao; Cai Wei-Min; Cai Jun

    2008-01-01

    This paper studies the light scattering and adsorption of nanocrystalline TiO2 porous films used in dye-sensitized solar cells composed of anatase and/or rutile particles by using an optical four-flux radiative transfer model.These light properties are difficult to measure directly on the functioning solar cells and they can not be calculated easily from the first-principle computational or quantitative theoretical evaluations.These simulation results indicate that the light scattering of 1-25 nm TiO2 panicles is negligible,but it is effective in the range of 80 and 180 nm.A suitable mixture of small particles(10 nm radius),which are resulted in a large effective surface,and of larger particles(150 nm radius),which are effective light scatterers,have the potential to enhance solar absorption significantly.The rutile crystals have a larger refractive index and thus the light harvest of the mixtures of such larger rutile and relatively small anatase particles is improved in comparison with that of pure anatase films.The light absorption of the 10μm double-layered films is also examined.A maximal light absorption of double-layered film is gotten when the thickness of the first layer of 10 nm-sized anatase particles is comparable to that of the second larger rutile layer.

  4. CdSe nanocrystal sensitized anatase TiO2 (001) tetragonal nanosheet-array films for photovoltaic application.

    Science.gov (United States)

    Feng, Shuanglong; Yang, Junyou; Liu, Ming; Liu, Yong

    2013-02-01

    CdSe nanocrystal sensitized TiO2 nanosheet array heterostructure films were fabricated by a two-step method. Firstly, a single crystalline anatase TiO2 tetragonal nanosheet-array film on a transparent conductive fluorine-doped tin oxide (FTO) substrate was successfully prepared by hydrothermal method. Then, CdSe nanocrystalline sensitizers were deposited on the TiO2 nanosheet array by CBD method. The products were characterized with XRD, SEM, TEM and UV-vis absorption spectroscopy. The effect of the CdSe nanocrystal deposition time and the length of the TiO2 sheet on the photovoltaic performance of the resulting CdSe/TiO2 nanosheet array electrodes were also investigated. In comparison with the non-sensitized TiO2 nanosheet array, the photocurrent of CdSe sensitized TiO2 nanosheet has a great enhancement, which gives some insight to the fundamental mechanism of the performance improvement.

  5. Comparison Study on the Microstructure of Nanocrystalline TiO2 in Different Ti-Si Binary Oxides

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    Three different Ti-Si oxide structuares, silica supported titania, silica coated titania and intimately mixed silicatitania, containing 10%-40% SiO2, were made by sol-gel process. The variations of microstructure parameters of nanocrystalline (nc) TiO2-anatase in the three kirds of binary oxides, including in-plane spacing d, cell constants (a0, CQ), cell volume V, cell axial ratio c0/a0 and crystal grain size, were comparatively investigated by high resolution transmission electron microscopy (HRTEM) and X-ray diffraction (XRD). It is found that the microstructure parameters vary remarkably with increasing SiO2 content and annealing temperature. Different structured Ti-Si binary oxides lead to different variation tendencies of microstructure parameters. The more SiO2 the binary oxide contains, the more lattice defects of nc TiO2-anatase appear; diffusion or migration of Si cations could be an important influential factor in the variations of microstructure. The grain size of nc TiO2 in the three kinds of binary oxides not only depends on SiO2 content and annealing temperature but also on the degree of lattice microstrain and distortion of nc TiO2-anatase. Both grain size and phase transformation of nc TiO2-anatase are effectively inhibited with increasing SiOa content.

  6. Porous Anatase TiO2 Thin Films for NH3 Vapour Sensing

    Science.gov (United States)

    Ponnusamy, Dhivya; Madanagurusamy, Sridharan

    2015-12-01

    Anatase titanium dioxide (TiO2) thin films were deposited onto cleaned glass substrates by a direct current (DC) reactive magnetron sputtering technique for different deposition times from 10 min to 40 min, which resulted in films of different thicknesses. Characterization techniques, such as x-ray diffraction (XRD) and field emission-scanning electron microscopy (FE-SEM) were used to characterize the structural and morphological properties of the TiO2 thin films. XRD patterns showed the formation of (101) crystal anatase facets. The grain size values of the film increased with increased deposition time, and the films deposited at 40 min exhibited a porous structure. Anatase TiO2 thin films exhibited excellent sensing response, fast response and recovery time, as well as good stability and selectivity towards ammonia (NH3). The enhanced NH3 sensing behavior of anatase TiO2 films is attributed to the porous morphology and oxygen vacancies.

  7. Highly active nanocrystalline TiO(2) photoelectrodes.

    Science.gov (United States)

    Paronyan, Tereza M; Kechiantz, A M; Lin, M C

    2008-03-19

    A simple method for the fabrication of highly photoactive nanocrystalline two-layer TiO(2) electrodes for solar cell applications is presented. Diluted titanium acetylacetonate has been used as a precursor for covering SnO(2):F (FTO) films with dense packed TiO(2) nanocrystallites. The nanoporous thick TiO(2) film follows the dense packed thin TiO(2) film as a second layer. For the latter, amorphous TiO(2) nanoparticles have been successfully synthesized by a sol-gel technique in an acidic environment with pHTiO(2) gel of pH 5 was obtained; this pH value is higher than the recently reported value of 3.1 (Park et al 2005 Adv. Mater. 17 2349-53). Highly interconnected, nanoporous, transparent and active TiO(2) films have been fabricated from the pH 5 gel. SEM, AFM and XRD analyses have been carried out for investigation of the crystal structure and the size of nanoparticles as well as the surface morphology of the films. Investigation of the photocurrent-voltage characteristics has shown improvement in cell performance along with the modification of the surface morphology, depending on pH of the TiO(2) gel. Increasing the pH of the gel from 2.1 to 5 enhanced the overall conversion efficiency of the dye-sensitized solar cells by approximately 30%. An energy conversion efficiency of 8.83% has been achieved for the cell (AM1.5, 100  mWcm(-2) simulated sunlight) compared to 6.61% efficiency in the absence of ammonia in the TiO(2) gel.

  8. TiO2-Based Nanomaterials for Gas Sensing-Influence of Anatase and Rutile Contributions.

    Science.gov (United States)

    Zakrzewska, K; Radecka, M

    2017-12-01

    The paper deals with application of three nanomaterial systems: undoped TiO2, chromium-doped TiO2:Cr and TiO2-SnO2 synthesized by flame spray synthesis (FSS) technique for hydrogen sensing. The emphasis is put on the role of anatase and rutile polymorphic forms of TiO2 in enhancing sensitivity towards reducing gases. Anatase-to-rutile transformation is achieved by annealing of undoped TiO2 in air at 700 °C, specific Cr doping and modification with SnO2. Undoped TiO2 and TiO2-SnO2 exhibit n-type behaviour and while TiO2: 5 at.% Cr is a p-type semiconductor. X-ray diffraction (XRD) has been applied to determine anatase-to-rutile weight ratio as well as anatase and rutile crystal size. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) have been used to characterize the structure and morphological parameters. Optical reflectometry enabled to find and compare the band gaps E g of anatase and rutile predominated compositions. Electrical properties, i.e. the electrical conductivity and values of constant phase element (CPE), have been established on the basis of impedance spectroscopy. Dynamic responses of the electrical resistance as a function of hydrogen concentration revealed that predominance of rutile in anatase/rutile mixture is beneficial for gas sensing. Partial transformation to rutile in all three material systems under study resulted in an increased sensitivity towards hydrogen. It is proposed that this effect can be explained in a similar way as in photocatalysis, i.e. by specific band alignment and electron transfer from rutile to anatase to facilitate oxygen preadsorption on the surface of anatase grains.

  9. Mobility enhanced photoactivity in sol-gel grown epitaxial anatase TiO2 films.

    Science.gov (United States)

    Jung, Hyun Suk; Lee, Jung-Kun; Lee, Jaegab; Kang, Bo Soo; Jia, Quanxi; Nastasi, Michael; Noh, Jun Hong; Cho, Chin-Moo; Yoon, Sung Hoon

    2008-03-18

    Epitaxial anatase thin films were grown on single-crystal LaAlO3 substrates by a sol-gel process. The epitaxial relationship between TiO2 and LaAlO3 was found to be [100]TiO2||[100]LaAlO3 and (001)TiO2||(001)LaAlO3 based on X-ray diffraction and a high-resolution transmission electron microscopy. The epitaxial anatase films show significantly improved photocatalytic properties, compared with polycrystalline anatase film on fused silica substrate. The increase in the photocatalytic activity of epitaxial anatase films is explained by enhanced charge carrier mobility, which is traced to the decreased grain boundary density in the epitaxial anatase film.

  10. Enhanced Photoelectrochemical Performance from Rationally Designed Anatase/Rutile TiO2 Heterostructures.

    Science.gov (United States)

    Cao, Fengren; Xiong, Jie; Wu, Fangli; Liu, Qiong; Shi, Zhiwei; Yu, Yanhao; Wang, Xudong; Li, Liang

    2016-05-18

    In a photoelectrochemical (PEC) cell for water splitting, the critical issue is charge separation and transport, which is usually completed by designing semiconductor heterojunctions. TiO2 anatase-rutile mixed junctions could largely improve photocatalytic properties, but impairs PEC water splitting performance. We designed and prepared two types of TiO2 heterostructures with the anatase thin film and rutile nanowire phases organized in different sequences. The two types of heterostructures were used as PEC photoanodes for water splitting and demonstrated completely opposite results. Rutile nanowires on anatase film demonstrated enhanced photocurrent density and onset potential, whereas strong negative performance was obtained from anatase film on rutile nanowire structures. The mechanism was investigated by photoresponse, light absorption and reflectance, and electrochemical impedance spectra. This work revealed the significant role of phase sequence in performance gain of anatase-rutile TiO2 heterostructured PEC photoanodes.

  11. Low-Temperature Preparation and Properties of High Activity Anatase TiO2 Aqueous Sols

    Science.gov (United States)

    Liu, Qingju; Na, Wei; Zhu, Zhongqi; Zhang, Jin

    2011-06-01

    Anatase TiO2 aqueous sols were prepared below 70 °C by sol method. The influences of preparing conditions on the crystal structures and stability of the sols were investigated with X-ray diffraction (XRD) and Zeta potential. The photocatalytic activities of the anatase TiO2 aqueous sols were characterized by degradation of methyl orange and methylene blue under ultraviolet light, fluorescent light and sunlight. The sols demonstrate higher photocatalytic activity than that of Degussa P25-TiO2.

  12. Excess electrons at anatase TiO2 surfaces and interfaces: insights from first principles simulations

    Science.gov (United States)

    Selçuk, Sencer; Selloni, Annabella

    2017-07-01

    TiO2 is an important technological material with widespread applications in photocatalysis, photovoltaics and self-cleaning surfaces. Excess electrons from intrinsic defects, dopants and photoexcitation play a key role in the properties of TiO2 that are relevant to its energy-related applications. The picture of excess and photoexcited electrons in TiO2 is based on the polaron model, where the electron forms a localized state that is stabilized by an accompanying lattice distortion. Here, we focus on excess and photoexcited electrons in anatase, the TiO2 polymorph most relevant to photocatalysis and solar energy conversion. For anatase, evidence of both small and large electron polarons has been reported in the literature. In addition, several studies have revealed a remarkable dependence of the photocatalytic activity of anatase on the crystal surface. After an overview of experimental studies, we briefly discuss recent progress in the theoretical description of polaronic states in TiO2, and finally present a more detailed account of our computational studies on the trapping and dynamics of excess electrons near the most common anatase surfaces and aqueous interfaces. The results of these studies provide a bridge between surface science experiments under vacuum conditions and observations of crystal-face-dependent photocatalysis on anatase, and support the idea that optimization of the ratio between different anatase facets can help enhance the photocatalytic activity of this material.

  13. Preparation of nanorod-like anatase TiO2 nanocrystals and their photovoltaic properties.

    Science.gov (United States)

    Zhang, Qinghong; Li, Shuang; Li, Yaogang; Wang, Hongzhi

    2011-12-01

    Anatase TiO2 nanocrystals with the high specific surface area were prepared by the hydrothermal treatment of anatase TiO2 sols at the temperature of 150 degrees C and above. When TiO2 sols with a lower content of TiO2 and at a relatively high pH value were hydrothermal treated, the dispersible and nanorod-like TiO2 nanocrystals were formed via the oriented attachment. The nanorod-like TiO2 nanocrystals with an aspect ratio of larger than 5 and a mean diameter of less than 7 nm were obtained in the absence of organic compounds. The as-prepared TiO2 nanocrystals were characterized with X-ray diffraction, transmission electron microscopy and BET surface area techniques. The TiO2 nanostructures were deposited on the FTO conductive glass as the anodic electrode for the dye-sensitized solar cells (DSSCs) and assembled into solar cells. The derived solar cells showed a conversion efficiency of 6.12% under 1 sun illumination of simulated sunlight and external quantum efficiency (EQE) of more than 60% at the wavelength of 550 nm. The DSSCs from the anatase nanorods has a higher open circuit voltage compared to the spherical nanocrystals.

  14. First principle study of the electronic structure of hafnium-doped anatase TiO2

    Institute of Scientific and Technical Information of China (English)

    Li Lezhong; Yang Weiqing; DingYingchun; Zhu Xinghua

    2012-01-01

    Crystal structures and electronic structures of hafnium doping anatase TiO2 were calculated by first principles with the plane-wave ultrasoft pseudopotential method based on the density functional theory within the generalized gradient approximation.The calculated results show that the lattice parameters a and c of Hf-doped anatase TiO2 are larger than those of intrinsic TiO2 under the same calculated condition.The calculated band structure and density of states show that the conduction band width of Hf-doped TiO2 is broadened which results in the band gap of Hf-doped being smaller than the band gap of TiO2.

  15. Preparation of {0 1 0}-faceted anatase TiO2 nanocuboids from peroxotitanium complex solution

    Science.gov (United States)

    Miao, Yigao; Gao, Jiacheng

    2012-12-01

    {0 1 0}-faceted anatase TiO2 nanocuboids have been fabricated by hydrothermal route using peroxotitanium complex solution as precursor. The effects of reaction time, the amount of urea and temperature on the formation of {0 1 0}-faceted anatase TiO2 were characterized by XRD, FESEM and TEM. The growth mechanism of nanocuboids was proposed that the nanocuboids were formed by the transition from H2Ti2O5·H2O phase to anatase TiO2 in the basic condition. The photocatalytic performance of the prepared samples was tested in the degradation of Rhodamine B and the anatase nanocuboids exhibited enhanced photocatalytic activity compared with the standard P25 powders.

  16. Brookite versus anatase TiO2 photocatalysts: phase transformations and photocatalytic activities.

    Science.gov (United States)

    Kandiel, Tarek A; Robben, Lars; Alkaim, Ayad; Bahnemann, Detlef

    2013-04-01

    Titanium dioxide nanoparticles consisting of pure anatase, anatase-rich, brookite-rich, and pure brookite modifications were synthesized and characterized by X-ray diffraction, field emission-scanning electron microscopy and nitrogen adsorption. The phase transformations among the three modifications of TiO2 (anatase, brookite, and rutile) and the photocatalytic activities of these nanoparticles were investigated by heat treatment over the temperature range from 400 to 800 °C and by the photooxidation of methanol, respectively. Direct transformation of anatase and brookite to rutile was observed, while in the case of the anatase-brookite mixture, anatase transforms firstly to brookite and then to rutile. The photocatalytic activity measurements indicate that brookite nanoparticles exhibit higher photocatalytic activities than anatase, and a comparable activity to that of the anatase-rich nanoparticles. The phase transformations and photocatalytic results are discussed regarding their dependence on crystallite size, surface area, and phase composition.

  17. Nanocrystalline TiO2/SnO2 heterostructures for gas sensing.

    Science.gov (United States)

    Lyson-Sypien, Barbara; Kusior, Anna; Rekas, Mieczylaw; Zukrowski, Jan; Gajewska, Marta; Michalow-Mauke, Katarzyna; Graule, Thomas; Radecka, Marta; Zakrzewska, Katarzyna

    2017-01-01

    The aim of this research is to study the role of nanocrystalline TiO2/SnO2 n-n heterojunctions for hydrogen sensing. Nanopowders of pure SnO2, 90 mol % SnO2/10 mol % TiO2, 10 mol % SnO2/90 mol % TiO2 and pure TiO2 have been obtained using flame spray synthesis (FSS). The samples have been characterized by BET, XRD, SEM, HR-TEM, Mössbauer effect and impedance spectroscopy. Gas-sensing experiments have been performed for H2 concentrations of 1-3000 ppm at 200-400 °C. The nanomaterials are well-crystallized, anatase TiO2, rutile TiO2 and cassiterite SnO2 polymorphic forms are present depending on the chemical composition of the powders. The crystallite sizes from XRD peak analysis are within the range of 3-27 nm. Tin exhibits only the oxidation state 4+. The H2 detection threshold for the studied TiO2/SnO2 heterostructures is lower than 1 ppm especially in the case of SnO2-rich samples. The recovery time of SnO2-based heterostructures, despite their large responses over the whole measuring range, is much longer than that of TiO2-rich samples at higher H2 flows. TiO2/SnO2 heterostructures can be intentionally modified for the improved H2 detection within both the small (1-50 ppm) and the large (50-3000 ppm) concentration range. The temperature Tmax at which the semiconducting behavior begins to prevail upon water desorption/oxygen adsorption depends on the TiO2/SnO2 composition. The electrical resistance of sensing materials exhibits a power-law dependence on the H2 partial pressure. This allows us to draw a conclusion about the first step in the gas sensing mechanism related to the adsorption of oxygen ions at the surface of nanomaterials.

  18. Nanocrystalline TiO2/SnO2 heterostructures for gas sensing

    Science.gov (United States)

    Kusior, Anna; Rekas, Mieczylaw; Zukrowski, Jan; Gajewska, Marta; Michalow-Mauke, Katarzyna; Graule, Thomas; Radecka, Marta; Zakrzewska, Katarzyna

    2017-01-01

    The aim of this research is to study the role of nanocrystalline TiO2/SnO2 n–n heterojunctions for hydrogen sensing. Nanopowders of pure SnO2, 90 mol % SnO2/10 mol % TiO2, 10 mol % SnO2/90 mol % TiO2 and pure TiO2 have been obtained using flame spray synthesis (FSS). The samples have been characterized by BET, XRD, SEM, HR-TEM, Mössbauer effect and impedance spectroscopy. Gas-sensing experiments have been performed for H2 concentrations of 1–3000 ppm at 200–400 °C. The nanomaterials are well-crystallized, anatase TiO2, rutile TiO2 and cassiterite SnO2 polymorphic forms are present depending on the chemical composition of the powders. The crystallite sizes from XRD peak analysis are within the range of 3–27 nm. Tin exhibits only the oxidation state 4+. The H2 detection threshold for the studied TiO2/SnO2 heterostructures is lower than 1 ppm especially in the case of SnO2-rich samples. The recovery time of SnO2-based heterostructures, despite their large responses over the whole measuring range, is much longer than that of TiO2-rich samples at higher H2 flows. TiO2/SnO2 heterostructures can be intentionally modified for the improved H2 detection within both the small (1–50 ppm) and the large (50–3000 ppm) concentration range. The temperature T max at which the semiconducting behavior begins to prevail upon water desorption/oxygen adsorption depends on the TiO2/SnO2 composition. The electrical resistance of sensing materials exhibits a power-law dependence on the H2 partial pressure. This allows us to draw a conclusion about the first step in the gas sensing mechanism related to the adsorption of oxygen ions at the surface of nanomaterials. PMID:28144570

  19. Enhanced Photocatalytic Activity of Pure Anatase Tio2 and Pt-Tio2 Nanoparticles Synthesized by Green Microwave Assisted Route

    OpenAIRE

    Filippo, Emanuela; Carlucci, Claudia; Capodilupo,Agostina Lina; Perulli,Patrizia; Conciauro,Francesca; Corrente, Giuseppina Anna; Gigli, Giuseppe; Ciccarella, Giuseppe

    2015-01-01

    High-yield, rapid and facile synthesis of elongated pure anatase titania nanoparticles has been achieved through a nonaqueous microwave-based approach. The residual organics onto nanoparticles surfaces were completely removed through a new treatment under ozone flow, at room temperature in air. Such an ozone cleaning method revealed an effective inexpensive dry process of removing organic contaminants from nanoparticles surfaces. The TiO2 elongated nanoparticles having a length of 13.8 ±...

  20. Preparation and Photocatalytic Behaviors of Nanoporous Polyoxotungstate-Anatase TiO2 Composites

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    Nanoporous anatase TiO2 crystalline particles coupled with Keggin or Wells-Dawson unit, H3PW12O40/TiO2 or H6P2W18O62/TiO2, were prepared at a low temperature (200 ℃) using sol-gel method combined with hydrothermal treatment at programmed temperature. The as-prepared composites have uniform anatase phase, and they exhibit both micro-and mesoporosities with pore sizes of 0.6 and 4.0 nm, respectively, and their average size is lower than 10 nm. Photocatalytic tests show the composites exhibit relatively higher photocatalytic activities to decompose the organocholorine pesticide hexachlorobenzene(HCB) than anatase TiO2, the starting polyoxotungstates, and Eu2O3/TiO2 prepared by using sol-gel method, and this was attributed to (1) the synergistic effect of photoactive anatase TiO2 with the polyoxotungstate, and (2) the fascinating physical and chemical properties of the porous materials.

  1. Anatase TiO2 nanorod-decoration for highly efficient photoenergy conversion.

    Science.gov (United States)

    Kim, Dong Hoe; Seong, Won Mo; Park, Ik Jae; Yoo, Eun-Sang; Shin, Seong Sik; Kim, Ju Seong; Jung, Hyun Suk; Lee, Sangwook; Hong, Kug Sun

    2013-12-07

    In recent studies of inorganic materials for energy applications, surface modification processes have been shown to be among the most effective methods to enhance the performance of devices. Here, we demonstrate a facile nano-decoration method which is generally applicable to anatase TiO2 nanostructures, as well as a nano-decorated hierarchical TiO2 nanostructure which improves the energy conversion efficiency of a dye-sensitized solar cell (DSSC). Using a facile sol-gel method, 0-D, 1-D, and 2-D type anatase TiO2 nanostructures were decorated with 200 nm long anatase TiO2 nanorods to create various hierarchical nanostructures. A structural analysis reveals that the branched nanorod has a highly crystalline anatase phase with anisotropic growth in the [001] longitudinal direction. When one of the hierarchical structures, a chestnut bur-like nanostructure, was employed in a dye-sensitized solar cell as a scattering layer, offering increased dye-loading properties, preserving a sufficient level of light-scattering ability and preserving superior charge transport and recombination properties as well, the energy conversion efficiency of the cell improved by 19% (from 7.16% to 9.09%) compared to a cell with a 0-D TiO2 sphere as a scattering layer. This generally applicable anatase nanorod-decorating method offers potential applications in various energy-conversion applications, especially in DSSCs, quantum-dot solar cells, photoelectrochemical water-splitting devices, photocatalysis, and lithium ion batteries.

  2. Determination of conduction and valence band electronic structure of anatase and rutile TiO2

    Indian Academy of Sciences (India)

    Jakub Szlachetko; Katarzyna Michalow-Mauke; Maarten Nachtegaal; Jacinto Sá

    2014-03-01

    Electronic structures of rutile and anatase polymorph of TiO2 were determined by resonant inelastic X-ray scattering measurements and FEFF9.0 calculations. Difference between crystalline structures led to shifts in the rutile Ti -band to lower energy with respect to anatase, i.e., decrease in band gap. Anatase possesses localized states located in the band gap where electrons can be trapped, which are almost absent in the rutile structure. This could well explain the reported longer lifetimes in anatase. It was revealed that HR-XAS is insufficient to study in-depth unoccupied states of investigated materials because it overlooks the shallow traps.

  3. Synthesis and photocatalytic redox properties of anatase TiO2 single crystals

    Science.gov (United States)

    Dong, Yeshuo; Fei, Xuening; Liu, Zhifeng; Zhou, Yongzhu; Cao, Lingyun

    2017-02-01

    The anatase TiO2 single crystals were synthesized through a solvothermal route and their morphology and structure were characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and Energy Dispersive X-ray Spectrometer (EDX). Characterization and photocatalytic activity experiments proposed that the simultaneous exposure of (001) and (101) facets could facilitate charge separation. While, due to the effect of surface substitution, the (001) facets were easier to be corroded with the increasing synthesis time. Moreover, the as-synthesized anatase TiO2 single crystals with (001) facets showed superior photocatalytic oxidation properties. Besides, the research on the plausible competitive mechanism of oxidation and reduction in the same reaction system suggested that the oxidation reaction was the predominant one with the increasing proportion of water on anatase TiO2 single crystals possessing the high reactivity of the (001) facets.

  4. Preparation of transparent TiO2 nanocrystalline film for UV sensor

    Institute of Scientific and Technical Information of China (English)

    FU Yao; GAO Wanghe

    2006-01-01

    The nanocrystalline TiO2 film electrodes were prepared by sol-gel method at different calcining temperatures, which had characteristics of different film thickness, uniform transparency, as well as high photoelectric and mechanical stability. Photoelectric measurements show that calcining temperature and film thickness could remarkably influence the photoelectric properties of the electrodes. The film calcined at 450℃ is anatase phase with high crystallinity and strong photoelectric activity, and shows the largest photocurrent. When the temperature is lower than 450℃, the film has weaker crystallinity because of a large number of defects in the film,and this is not favorable for the transport of the photogenerated carriers. And at a temperature higher than 450℃, the photocurrent of the electrode is decreased due to anatase-rutile phase transition in the film. The increase in film thickness is favorable to the enhancement of ultraviolet light (UV) absorption amount, which would improve the photoelectric activity of the film. But, excessive thickness will increase the recombination rate of the electron-hole pairs, and result in a reduction in electrode's photoelectric activity. In addition, the response sensitivity and stability of the photocurrent produced in the electrode are related to bias potential. At a potential of 0.4 V, the electrode shows a saturated photocurrent of 30.8 μA and a response time of ~1 s, suggesting that the prepared TiO2 film electrode can be used for making UV sensors.

  5. Anatase TiO2 nanorod-decoration for highly efficient photoenergy conversion

    Science.gov (United States)

    Kim, Dong Hoe; Seong, Won Mo; Park, Ik Jae; Yoo, Eun-Sang; Shin, Seong Sik; Kim, Ju Seong; Jung, Hyun Suk; Lee, Sangwook; Hong, Kug Sun

    2013-11-01

    In recent studies of inorganic materials for energy applications, surface modification processes have been shown to be among the most effective methods to enhance the performance of devices. Here, we demonstrate a facile nano-decoration method which is generally applicable to anatase TiO2 nanostructures, as well as a nano-decorated hierarchical TiO2 nanostructure which improves the energy conversion efficiency of a dye-sensitized solar cell (DSSC). Using a facile sol-gel method, 0-D, 1-D, and 2-D type anatase TiO2 nanostructures were decorated with 200 nm long anatase TiO2 nanorods to create various hierarchical nanostructures. A structural analysis reveals that the branched nanorod has a highly crystalline anatase phase with anisotropic growth in the [001] longitudinal direction. When one of the hierarchical structures, a chestnut bur-like nanostructure, was employed in a dye-sensitized solar cell as a scattering layer, offering increased dye-loading properties, preserving a sufficient level of light-scattering ability and preserving superior charge transport and recombination properties as well, the energy conversion efficiency of the cell improved by 19% (from 7.16% to 9.09%) compared to a cell with a 0-D TiO2 sphere as a scattering layer. This generally applicable anatase nanorod-decorating method offers potential applications in various energy-conversion applications, especially in DSSCs, quantum-dot solar cells, photoelectrochemical water-splitting devices, photocatalysis, and lithium ion batteries.In recent studies of inorganic materials for energy applications, surface modification processes have been shown to be among the most effective methods to enhance the performance of devices. Here, we demonstrate a facile nano-decoration method which is generally applicable to anatase TiO2 nanostructures, as well as a nano-decorated hierarchical TiO2 nanostructure which improves the energy conversion efficiency of a dye-sensitized solar cell (DSSC). Using a facile

  6. TiO2 anatase with a bandgap in the visible region.

    Science.gov (United States)

    Dette, Christian; Pérez-Osorio, Miguel A; Kley, Christopher S; Punke, Paul; Patrick, Christopher E; Jacobson, Peter; Giustino, Feliciano; Jung, Soon Jung; Kern, Klaus

    2014-11-12

    TiO2 anatase plays a central role in energy and environmental research. A major bottleneck toward developing artificial photosynthesis with TiO2 is that it only absorbs ultraviolet light, owing to its large bandgap of 3.2 eV. If one could reduce the bandgap of anatase to the visible region, TiO2-based photocatalysis could become a competitive clean energy source. Here, using scanning tunneling microscopy and spectroscopy in conjunction with density functional theory calculations, we report the discovery of a highly reactive titanium-terminated anatase surface with a reduced bandgap of less than 2 eV, stretching into the red portion of the solar spectrum. By tuning the surface preparation conditions, we can reversibly switch between the standard anatase surface and the newly discovered low bandgap surface phase. The identification of a TiO2 anatase surface phase with a bandgap in the visible and high chemical reactivity has important implications for solar energy conversion, photocatalysis, and artificial photosynthesis.

  7. In situ spectroelectrochemical behaviour of nanocrystalline TiO2 thin films electrode fabricated by pulsed laser deposition

    Institute of Scientific and Technical Information of China (English)

    傅正文; 孔继烈; 秦启宗; 田中群

    1999-01-01

    Nanocrystalline titanium oxide thin films have been successfully deposited on ITO coated glass by pulsed laser ablation of metallic Ti target in O3/O2 ambient gases. The intercalation of Li ions in the anatase TiO2 film electrode is examined by cyclic vohammetry. The electrochromic behaviour of TiO2 electrode is investigated by in-situ visible transmittance measurement, and two absorption bands at 420 and 650 nm are observed. The absorption falling and rising in color changing with excellent revisibility is relative to the insertion and deintercalation processes of Li ion. These resuits suggest that nanocrystalline titanium oxide films fabricated by pulsed laser deposition exhibit excellent spectroelectrochemical property.

  8. Synthesis and Photocatalytic Activity of Anatase TiO2 Nanoparticles-coated Carbon Nanotubes

    Directory of Open Access Journals (Sweden)

    Xie Yi

    2009-01-01

    Full Text Available Abstract A simple and straightforward approach to prepare TiO2-coated carbon nanotubes (CNTs is presented. Anatase TiO2 nanoparticles (NPs with the average size ~8 nm were coated on CNTs from peroxo titanic acid (PTA precursor even at low temperature of 100 °C. We demonstrate the effects of CNTs/TiO2 molar ratio on the adsorption capability and photocatalytic efficiency under UV–visible irradiation. The samples showed not only good optical absorption in visible range, but also great adsorption capacity for methyl orange (MO dye molecules. These properties facilitated the great enhancement of photocatalytic activity of TiO2 NPs-coated CNTs photocatalysts. The TiO2 NPs-coated CNTs exhibited 2.45 times higher photocatalytic activity for MO degradation than that of pure TiO2.

  9. Hydrogenated Anatase TiO2 as Lithium-Ion Battery Anode: Size-Reactivity Correlation.

    Science.gov (United States)

    Zheng, Jing; Liu, Lei; Ji, Guangbin; Yang, Qifan; Zheng, Lirong; Zhang, Jing

    2016-08-10

    An improved hydrogenation strategy for controllable synthesis of oxygen-deficient anatase TiO2 (H-TiO2) is performed via adjusting the particle size of starting rectangular anatase TiO2 nanosheets from 90 to 30 nm. The morphology and structure characterizations obviously demonstrate that the starting materials of TiO2 nanosheets are transformed into nanoparticles with distinct size reduction; meanwhile, the concentration of oxygen vacancy is gradually increased with the decreasing particle size of starting TiO2. As a result, the Li-storage performance of H-TiO2 is not only much better than that of the pure TiO2 but also elevated stage by stage with the decreasing particle size of starting TiO2; especially the H-TiO2 with highest concentration of oxygen vacancy from smallest TiO2 nanosheets shows the best Li-storage performance with a stable discharge capacity 266 mAh g(-1) after 100 cycles at 1 C. Such excellent performance should be attributed to the joint action from oxygen vacancy and size effect, which promises significant enhancement of high electronic conductivity without weakening Li(+) diffusion via hydrogenation strategy.

  10. New understanding of the difference of photocatalytic activity among anatase, rutile and brookite TiO2.

    Science.gov (United States)

    Zhang, Jinfeng; Zhou, Peng; Liu, Jianjun; Yu, Jiaguo

    2014-10-14

    In general, anatase TiO2 exhibits higher photocatalytic activities than rutile TiO2. However, the reasons for the differences in photocatalytic activity between anatase and rutile are still being debated. In this work, the band structure, density of states, and effective mass of photogenerated charge carriers for anatase, rutile and brookite TiO2 are investigated by the first-principle density functional theory calculation. The results indicate that anatase appears to be an indirect band gap semiconductor, while rutile and brookite belong to the direct band gap semiconductor category. Indirect band gap anatase exhibits a longer lifetime of photoexcited electrons and holes than direct band gap rutile and brookite because the direct transitions of photogenerated electrons from the conduction band (CB) to valence band (VB) of anatase TiO2 is impossible. Furthermore, anatase has the lightest average effective mass of photogenerated electrons and holes as compared to rutile and brookite. The lightest effective mass suggests the fastest migration of photogenerated electrons and holes from the interior to surface of anatase TiO2 particle, thus resulting in the lowest recombination rate of photogenerated charge carriers within anatase TiO2. Therefore, it is not surprising that anatase usually shows a higher photocatalytic activity than rutile and brookite. This investigation will provide some new insight into understanding the difference of photocatalytic activity among anatase, rutile and brookite.

  11. The Character of Photo-electrochemistry of Palladium Implanted TiO2 Nano-crystalline Electrode

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    A new electrode was prepared by using Pd implanted into nano-crystalline TiO2 and the character of photo-electrochemistry of implanted electrodes was investigated. The energy band structure of nano-crystalline TiO2 has not changed after implantation with Pd. The photo-current (iph) of palladium implanted TiO2 nano-crystalline electrode is larger than that of pure TiO2 nano-crystalline electrode.

  12. Improved lithium storage properties of electrospun TiO2 with tunable morphology: from porous anatase to necklace rutile.

    Science.gov (United States)

    Yang, Yang; Wang, Haiying; Zhou, Qiwen; Kong, Mengqi; Ye, Haitao; Yang, Gang

    2013-11-07

    Three-dimensional TiO2 with tunable morphology and crystalline phase was successfully prepared by the electrospinning technique and subsequent annealing. Porous-shaped anatase TiO2, cluster-shaped anatase TiO2, hierarchical-shaped rutile (minor) TiO2 and nano-necklace rutile (major) TiO2 were achieved at 500, 600, 700 and 800 °C, respectively. The mechanism of the formation of these tailored morphologies and crystallinity was investigated. Lithium insertion properties were evaluated by galvanostatic and potentiostatic modes in half-cell configurations. By combining the large surface area, open mesoporosity and stable crystalline phase, the porous-shaped anatase TiO2 exhibited the highest capacity, best rate and cycling performance among the four samples. The present results demonstrated the usefulness of three-dimensional TiO2 as an anode for lithium storage with improved electrode performance.

  13. Plasmonic photocatalysis properties of Au nanoparticles precipitated anatase/rutile mixed TiO2 nanotubes.

    Science.gov (United States)

    Wen, Yan; Liu, Bitao; Zeng, Wei; Wang, Yuhua

    2013-10-21

    Anatase/rutile mixed titania nanotubes (TiO2 NTs) precipitated with gold nanoparticles (Au NPs), i.e. Au/TiO2, have been synthesized and investigated on visible photocatalysis properties. A deposition-precipitation (DP) method was adopted to reduce the gold precursor to Au NPs within the preformed TiO2 NTs by the emulsion electrospinning technique. The optimal visible photocatalytic activity was found in the sample Au3(DP350)/TiO2 with a loading of 3 wt% Au NPs and calcining at 350 °C. Through transmission electron microscopy, Au NPs of 4.16 nm diameter were observed at the interface between the anatase and rutile phases in the optimal Au3(DP350)/TiO2 sample, and these joint active sites at the interface were beneficial for charge separation. The obtained optimal photocatalytic efficiency of Au3(DP350)/TiO2 was ascribed to the synergistic effect of the enhanced visible absorption and the anatase/rutile mixed-phase composition, and the possible mechanism for this was discussed in detail.

  14. The Acute Liver Injury in Mice Caused by Nano-Anatase TiO2

    Science.gov (United States)

    Ma, Linglan; Zhao, Jinfang; Wang, Jue; Liu, Jie; Duan, Yanmei; Liu, Huiting; Li, Na; Yan, Jingying; Ruan, Jie; Wang, Han; Hong, Fashui

    2009-11-01

    Although it is known that nano-TiO2 or other nanoparticles can induce liver toxicities, the mechanisms and the molecular pathogenesis are still unclear. In this study, nano-anatase TiO2 (5 nm) was injected into the abdominal cavity of ICR mice for consecutive 14 days, and the inflammatory responses of liver of mice was investigated. The results showed the obvious titanium accumulation in liver DNA, histopathological changes and hepatocytes apoptosis of mice liver, and the liver function damaged by higher doses nano-anatase TiO2. The real-time quantitative RT-PCR and ELISA analyses showed that nano-anatase TiO2 can significantly alter the mRNA and protein expressions of several inflammatory cytokines, including nucleic factor-κB, macrophage migration inhibitory factor, tumor necrosis factor-α, interleukin-6, interleukin-1β, cross-reaction protein, interleukin-4, and interleukin-10. Our results also implied that the inflammatory responses and liver injury may be involved in nano-anatase TiO2-induced liver toxicity.

  15. Completely oriented anatase TiO2 nanoarrays: topotactic growth and orientation-related efficient photocatalysis

    Science.gov (United States)

    Yang, Jingling; Wu, Qili; He, Shiman; Yan, Jing; Shi, Jianying; Chen, Jian; Wu, Mingmei; Yang, Xianfeng

    2015-08-01

    A TiO2 film has been facilely grown on a Ti foil via a general and simple acid vapor oxidation (AVO) strategy. Based on detailed characterization by using X-ray diffraction (XRD), scanning electron microscopy (SEM) and transmission electron microscopy (TEM), we found that the TiO2 film was composed of anatase nanoarrays highly oriented along their direction, resulting in a large exposed {001} top surface on the film. The growth mechanism based on a topotactic transformation was proposed according to a careful study of time-dependent experimental results. Resulting from the evaluation of photocatalytic performance compared with a commercial TiO2 photocatalyst (Degussa P25), the as-prepared oriented anatase TiO2 film showed higher efficiency for degradation of atrazine and acid orange II (AOII). The performance of photocatalysis is highly relevant to the preferential orientation. The efficient photocatalysis could be attributed to the highly reactive {001} facets on the anatase nanoarrays with super-hydrophilicity.A TiO2 film has been facilely grown on a Ti foil via a general and simple acid vapor oxidation (AVO) strategy. Based on detailed characterization by using X-ray diffraction (XRD), scanning electron microscopy (SEM) and transmission electron microscopy (TEM), we found that the TiO2 film was composed of anatase nanoarrays highly oriented along their direction, resulting in a large exposed {001} top surface on the film. The growth mechanism based on a topotactic transformation was proposed according to a careful study of time-dependent experimental results. Resulting from the evaluation of photocatalytic performance compared with a commercial TiO2 photocatalyst (Degussa P25), the as-prepared oriented anatase TiO2 film showed higher efficiency for degradation of atrazine and acid orange II (AOII). The performance of photocatalysis is highly relevant to the preferential orientation. The efficient photocatalysis could be attributed to the highly reactive {001

  16. First-principles study on anatase TiO2 codoped with nitrogen and praseodymium

    Science.gov (United States)

    Gao, Pan; Wu, Jing; Liu, Qing-Ju; Zhou, Wen-Fang

    2010-08-01

    The crystal structures, electronic structures and optical properties of nitrogen or/and praseodymium doped anatase TiO2 were calculated by first principles with the plane-wave ultrasoft pseudopotential method based on density functional theory. Highly efficient visible-light-induced nitrogen or/and praseodymium doped anatase TiO2 nanocrystal photocatalyst were synthesized by a microwave chemical method. The calculated results show that the photocatalytic activity of TiO2 can be enhanced by N doping or Pr doping, and can be further enhanced by N+Pr codoping. The band gap change of the codoping TiO2 is more obvious than that of the single ion doping, which results in the red shift of the optical absorption edges. The results are of great significance for the understanding and further development of visible-light response high activity modified TiO2 photocatalyst. The photocatalytic activity of the samples for methyl blue degradation was investigated under the irradiation of fluorescent light. The experimental results show that the codoping TiO2 photocatalytic activity is obviously higher than that of the single ion doping. The experimental results accord with the calculated results.

  17. Methanol Conversion into Dimethyl Ether on the Anatase TiO2(001) Surface.

    Science.gov (United States)

    Xiong, Feng; Yu, Yan-Yan; Wu, Zongfang; Sun, Guanghui; Ding, Liangbing; Jin, Yuekang; Gong, Xue-Qing; Huang, Weixin

    2016-01-11

    Exploring reactions of methanol on TiO2 surfaces is of great importance in both C1 chemistry and photocatalysis. Reported herein is a combined experimental and theoretical calculation study of methanol adsorption and reaction on a mineral anatase TiO2(001)-(1×4) surface. The methanol-to-dimethyl ether (DME) reaction was unambiguously identified to occur by the dehydration coupling of methoxy species at the fourfold-coordinated Ti(4+) sites (Ti(4c)), and for the first time confirms the predicted higher reactivity of this facet compared to other reported TiO2 facets. Surface chemistry of methanol on the anatase TiO2(001)-(1×4) surface is seldom affected by co-chemisorbed water. These results not only greatly deepen the fundamental understanding of elementary surface reactions of methanol on TiO2 surfaces but also show that TiO2 with a high density of Ti(4c) sites is a potentially active and selective catalyst for the important methanol-to-DME reaction.

  18. Specific Facets-Dominated Anatase TiO2: Fluorine-Mediated Synthesis and Photoactivity

    Directory of Open Access Journals (Sweden)

    Maria Vittoria Dozzi

    2013-05-01

    Full Text Available Semiconductors crystal facet engineering has become an important strategy for properly tuning and optimizing both the physicochemical properties and the reactivity of photocatalysts. In this review, a concise survey of recent results obtained in the field of specific surface-oriented anatase TiO2 crystals preparation is presented. The attention is mainly focused on the fluorine-mediated hydrothermal and/or solvothermal processes employed for the synthesis and the assembly of anatase micro/nanostructures with dominant {001} facets. Their peculiar photocatalytic properties and potential applications are also presented, with a particular focus on photocatalysis-based environmental clean up and solar energy conversion applications. Finally, the most promising results obtained in the engineering of TiO2 anatase crystal facets obtained by employing alternative, possibly more environmentally friendly methods are critically compared.

  19. Nanocrystalline TiO2 by three different synthetic approaches: A comparison

    Indian Academy of Sciences (India)

    T V Anuradha; S Ranganathan

    2007-06-01

    A comparison of the efficiency of three different synthetic routes viz. sol–gel method involving templating, mechanochemical synthesis and combustion synthesis for the production of nanostructured TiO2, is reported. In the sol–gel method, nanocrystalline TiO2 is produced when titanium tetraisopropoxide is templated onto dodecylamine which forms the liquid crystalline hexagonal structure and the template is then extracted using 1 : 1 solution of ethanol–hydrochloric acid mixture. Mechanochemical synthesis of nanocrystalline TiO2 involved mechanical milling of stoichiometric amounts of titanium and cupric oxide in a planetary ball mill using stainless steel vial with wear resistant stainless steel balls. Nanocrystalline TiO2 is produced by the combustion reaction involving titanyl nitrate and fuels like glycine and citric acid. Nanostructured TiO2 with an average particle size of ∼ 14 nm is produced by the sol–gel method whereas the mechanochemical reaction between titanium and cupric oxide resulted in the formation of nanocrystalline TiO2 with an average particle size of ∼ 20 nm after 12 h of milling. On the other hand, combustion synthesis resulted in the formation of nanocrystalline TiO2 with an average particle size of less than ∼ 50 nm. The microstructures of nanocrystalline TiO2 produced by the above three methods are analysed.

  20. High photocatalytic activity of mixed anatase-rutile phases on commercial TiO2 nanoparticles

    Science.gov (United States)

    Ruu Siah, Wai; Lintang, Hendrik O.; Shamsuddin, Mustaffa; Yuliati, Leny

    2016-02-01

    Titanium dioxide (TiO2) is well-known as an active photocatalyst for degradation of various organic pollutants. Over the years, a wide range of TiO2 nanoparticles with different phase compositions, crystallinities, and surface areas have been developed. Due to the different methods and conditions used to synthesize these commercial TiO2 nanoparticles, the properties and photocatalytic performance would also be different from each other. In this study, the photocatalytic removal of 2,4-dichlorophenoxyacetic acid (2,4-D) and 2,4,5- trichlorophenoxyacetic acid (2,4,5-T) was investigated on commercial Evonik P25, Evonik P90, Hombikat UV100 and Hombikat N100 TiO2 nanoparticles. Upon photocatalytic tests, it was found that overall, the photocatalytic activities of the P25 and the P90 were higher than the N100 and the UV100 for the removal of both 2,4-D and 2,4,5-T. The high activities of the P25 and the P90 could be attributed to their phase compositions, which are made up of a mixture of anatase and rutile phases of TiO2. Whereas, the UV100 and the N100 are made up of 100% anatase phase of TiO2. The synergistic effect of the anatase/rutile mixture was reported to slow down the recombination rate of photogenerated electron-hole pairs. Consequently, the photocatalytic activity was increased on these TiO2 nanoparticles.

  1. Facile embedding of single vanadium atoms at the anatase TiO2(101) surface.

    Science.gov (United States)

    Koust, Stig; Arnarson, Logi; Moses, Poul G; Li, Zheshen; Beinik, Igor; Lauritsen, Jeppe V; Wendt, Stefan

    2017-04-05

    To understand the structure-reactivity relationships for mixed-metal oxide catalysts, well-defined systems are required. Mixtures of vanadia and titania (TiO2) are of particular interest for application in heterogeneous catalysis, with TiO2 often acting as the support. By utilizing high-resolution scanning tunneling microscopy, we studied the interaction of vanadium (V) with the anatase TiO2(101) surface in the sub-monolayer regime. At 80 K, metallic V nucleates into homogeneously distributed clusters onto the terraces with no preference for nucleation at the step edges. However, embedding of single V atoms into TiO2 occurs following annealing at room temperature. In conjunction with X-ray photoelectron spectroscopy data and density functional theory calculations, we propose that monomeric V atoms occupy positions of regular surface Ti sites, i.e., Ti atoms are substituted by V atoms.

  2. Mussel-Directed Synthesis of Nitrogen-Doped Anatase TiO2.

    Science.gov (United States)

    Xie, Jingjing; Xie, Hao; Su, Bao-Lian; Cheng, Yi-Bing; Du, Xiaodong; Zeng, Hui; Wang, Menghu; Wang, Weimin; Wang, Hao; Fu, Zhengyi

    2016-02-24

    Structure-forming processes leading to biominerals are well worth learning in pursuit of new synthetic techniques. Strategies that attempt to mimic nature in vitro cannot replace an entire complex natural organism, requiring ingenuity beyond chemists' hands. A "bioprocess-inspired synthesis" is demonstrated for fabrication of N-doped TiO2 materials at ambient temperature by direct implantation of precursor into living mussels. The amorphous precursor transforms into N-doped anatase TiO2 with a hierarchical nanostructure. Synthetic TiO2 exhibits high phase stability and enhanced visible-light photocatalytic activity as a result of modifications to its band gap during in vivo mineralization. Intracellular proteins were found to be involved in TiO2 mineralization. Our findings may inspire material production by new synthetic techniques, especially under environmentally benign conditions.

  3. Structural, Optical and Electrochromic Properties of Nanocrystalline TiO2 Thin Films Prepared by Spin Coating

    OpenAIRE

    2004-01-01

    Nanocrystalline TiO2 thin filmswere prepared by spin coating on covered glass substrates with an indium tin oxide (ITO) layer. The structural, electrochromic and optical properties of the films were investigated. The films are crystallized predominantly in the anatase phase with lattice parameters a = b = 0.378 nm and c = 0.958 nm . The crystallite size was found to be of the order of 14 nm. The films showed reversible coloration/bleaching cycles as demonstrated by cyclic voltametry and curre...

  4. Anatase TiO2/cellulose hybrid paper: Synthesis, characterizations, and photocatalytic activity for degradation of indigo carmine dye

    Science.gov (United States)

    Jiao, Yue; Wan, Caichao; Li, Jian

    We report a facile easy method to deposit anatase titania (TiO2) on cellulose paper. The anatase TiO2/cellulose paper (ATCP) was characterized by scanning electron microscopy, transmission electron microscope, energy dispersive X-ray spectrometer, X-ray diffraction, Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy, and thermogravimetric analysis. This hybrid paper with the anatase TiO2 content of around 13.86wt.% can serve as an eco-friendly flexible photocatalyst, which can rapidly degrade blue indigo carmine dye into a colorless solution within 30min under UV radiation. Moreover, compared to commercially available TiO2 P25 and anatase TiO2 powder, a faster decomposition rate of indigo carmine dye was acquired when using ATCP. These results suggest that this hybrid paper might be useful in the treatment of organic dye wastewater.

  5. The enhancement of ferromagnetism in Ta-doped anatase TiO2 system by iron co-doping

    Science.gov (United States)

    Muhammady, S.; Kurniawan, R.; Nurfani, E.; Sutjahja, I. M.; Winata, T.; Darma, Y.

    2016-11-01

    The ferromagnetic properties of Ta-doped and (Ta,Fe)-doped anatase TiO2 as diluted ferromagnetic materials has been studied within spin-polarized generalized gradient approximation (GGA) and GGA + U method. We observed a ferromagnetic properties in Ta- doped anatase TiO2, with a total magnetic moment of 1.00 μ B /supercell, which mainly arised due to Ti 3d and O 2p states upon Ef. Furthermore, the enhancement of ferromagnetism, mainly arising due to Fe 3d states, in (Ta,Fe)-doped anatase TiO2 was observed up to 5.00 μB /supercell, 5 times larger than that in Ta-doped TiO2. Our results confirmed the important role of Fe doping for the ferromagnetism enhancement in Ta-doped anatase TiO2.

  6. Sonocatalytic degradation of methyl orange in the presence of (nanometer and ordinary) anatase TiO2 powders

    Institute of Scientific and Technical Information of China (English)

    WANG Jun; GUO Bao-dong; ZHANG Zhao-hong; ZHANG Xiang-dong; WU Jing; LI Hong

    2005-01-01

    The nanometer and ordinary anatase titanium dioxide(TiO2 ) powders were adopted as the sonocatalysts for the degradation of methyl orange used as a model compound for the first time. It was found that the sonocatalytic degradation effect of methyl orange in the presence of TiO2 powder were much better than that without TiO2, but the sonocatalytic activity of the nanometer anatase TiO2 particle was obviously higher than that of ordinary anatase TiO2 particle. Although there are many factors influencing sonocatalytic degradation of methyl orange, the experimental results showed that the best degradation ratio of methyl orange could be obtained when the experimental conditions were: initial concentration 15 mg/L, nanometer anatase TiO2 adding amount 750 mg/L, ultrasonic frequency 40 kHz, output power 50 W, pH = 3.0 and temperature 40℃ within 150 min. In addition, the catalytic activity of reused nanometer anatase TiO2 catalyst was also studied and found to decline gradually comparing with initial nanometer anatase TiO2 catalyst. All experiments indicated that the method of the sonocatalytic degradation of organic pollutants in the presence of TiO2 powder was an advisable choice for non- or lowtransparent organic wastewaters.

  7. Efficient photodegradation of organic dye using anatase TiO2 plants as catalyst

    Science.gov (United States)

    Bahadur, Jitendra; Pal, Kaushik

    2017-08-01

    Anatase TiO2 hierarchical nanostructures with higher photocatalytic activity are of special importance in various applications. We have reported the synthesis of TiO2 as water chestnut plants like morphology via facile hydrothermal method, by using Titanium (IV) butoxide (TBOT) as a precursor solution. It is found that TiO2 nanoparticles work as seed and completely convert into water chestnut plants like structure or morphology, which are composed of crystallized anatase nanocrystals. X-ray diffraction spectra confirmed the presence of anatase phase of crystallized TiO2 plants (TPs). The average life time delay for generated charge carriers in TPs was calculated to be around 2.45 ns, which reflects slow recombination of charge carriers. The prepared TPs show excellent photocatalytic performance when applied in photo degradation of Rhodamine B organic dye. The unique features exhibited by TPs make them a promising candidate for vast potential applications in field such as solar cells, photocatalysis, supercapacitor, lithium ion batteries and some related fields. [Figure not available: see fulltext.

  8. Extraordinary Performance of Carbon‐Coated Anatase TiO2 as Sodium‐Ion Anode

    Science.gov (United States)

    Tahir, Muhammad Nawaz; Oschmann, Bernd; Buchholz, Daniel; Dou, Xinwei; Lieberwirth, Ingo; Panthöfer, Martin; Tremel, Wolfgang

    2015-01-01

    The synthesis of in situ polymer‐functionalized anatase TiO2 particles using an anchoring block copolymer with hydroxamate as coordinating species is reported, which yields nanoparticles (≈11 nm) in multigram scale. Thermal annealing converts the polymer brushes into a uniform and homogeneous carbon coating as proven by high resolution transmission electron microscopy and Raman spectroscopy. The strong impact of particle size as well as carbon coating on the electrochemical performance of anatase TiO2 is demonstrated. Downsizing the particles leads to higher reversible uptake/release of sodium cations per formula unit TiO2 (e.g., 0.72 eq. Na+ (11 nm) vs only 0.56 eq. Na+ (40 nm)) while the carbon coating improves rate performance. The combination of small particle size and homogeneous carbon coating allows for the excellent electrochemical performance of anatase TiO2 at high (134 mAh g−1 at 10 C (3.35 A g−1)) and low (≈227 mAh g−1 at 0.1 C) current rates, high cycling stability (full capacity retention between 2nd and 300th cycle at 1 C) and improved coulombic efficiency (≈99.8%). PMID:27134618

  9. Completely oriented anatase TiO2 nanoarrays: topotactic growth and orientation-related efficient photocatalysis.

    Science.gov (United States)

    Yang, Jingling; Wu, Qili; He, Shiman; Yan, Jing; Shi, Jianying; Chen, Jian; Wu, Mingmei; Yang, Xianfeng

    2015-09-07

    A TiO2 film has been facilely grown on a Ti foil via a general and simple acid vapor oxidation (AVO) strategy. Based on detailed characterization by using X-ray diffraction (XRD), scanning electron microscopy (SEM) and transmission electron microscopy (TEM), we found that the TiO2 film was composed of anatase nanoarrays highly oriented along their direction, resulting in a large exposed {001} top surface on the film. The growth mechanism based on a topotactic transformation was proposed according to a careful study of time-dependent experimental results. Resulting from the evaluation of photocatalytic performance compared with a commercial TiO2 photocatalyst (Degussa P25), the as-prepared oriented anatase TiO2 film showed higher efficiency for degradation of atrazine and acid orange II (AOII). The performance of photocatalysis is highly relevant to the preferential orientation. The efficient photocatalysis could be attributed to the highly reactive {001} facets on the anatase nanoarrays with super-hydrophilicity.

  10. Further understanding of the adsorption mechanism of N719 sensitizer on anatase TiO2 films for DSSC applications using vibrational spectroscopy and confocal Raman imaging.

    Science.gov (United States)

    Lee, Kee Eun; Gomez, Mario A; Elouatik, Samir; Demopoulos, George P

    2010-06-15

    Vibrational spectroscopic studies of N719 dye-adsorbed TiO(2) films have been carried out by using SERRS, ATR-FTIR, and confocal Raman imaging. The high wavenumber region (3000-4000 cm(-1)) of dye adsorbed TiO(2) is analyzed via Raman and IR spectroscopy to investigate the role of surface hydroxyl groups in the anchoring mode. As a complementary technique, confocal Raman imaging is employed to study the distribution features of key dye groups (COO-, bipyridine, and C=O) on the anatase surface. Sensitized TiO(2) films made from two different nanocrystalline anatase powders are investigated: a commercial one (Dyesol) and our synthetic variety produced through aqueous synthesis. It is proposed the binding of the N719 dye to TiO(2) to occur through two neighboring carboxylic acid/carboxylate groups via a combination of bidentate-bridging and H-bonding involving a donating group from the N719 (and/or Ti-OH) units and acceptor from the Ti-OH (and/or N719) groups. The Raman imaging distribution of COO(-)(sym) on TiO(2) was used to show the covalent bonding, while the distribution of C=O mode was applied to observe the electrostatically bonded groups.

  11. Study of defect-induced ferromagnetism in hydrogenated anatase TiO2:Co

    Science.gov (United States)

    Singhal, R. K.; Samariya, Arvind; Kumar, Sudhish; Xing, Y. T.; Jain, D. C.; Dolia, S. N.; Deshpande, U. P.; Shripathi, T.; Saitovitch, Elisa B.

    2010-06-01

    Electronic and magnetic properties of Co-doped TiO2 polycrystalline pellets (Ti0.95Co0.05O2) have been investigated using x-ray diffraction, x-ray photoemission, magnetization, and resistance measurements. The as-synthesized and hydrogenated specimens crystallize in the anatase type tetragonal structure containing very small (˜4.4%) rutile phase. The dopant ions of Co are found to be divalent and well incorporated into TiO2 lattice, substituting the Ti site within the anatase phase, with no evidence of metallic Co or any other oxides of Co. The Co doping induces a weak ferromagnetic ordering in the diamagnetic TiO2 host matrix. Interestingly, when the Co-doped TiO2 is annealed in hydrogen atmosphere, it shows a giant enhancement in magnetization. However, an extended reheating in air causes this H-induced magnetization to vanish and the sample regains the as-prepared status. Our findings indicate that ferromagnetism originates from the doped matrix rather than any magnetic clusters and strongly correlated with oxygen vacancies in the doped TiO2. The induced ferromagnetic ordering is found to be a reversible process with regard to oxygen vacancy defects that could be induced or removed, respectively, upon introduction or removal of these defects.

  12. Controlled formation of anatase and rutile TiO2 thin films by reactive magnetron sputtering

    Directory of Open Access Journals (Sweden)

    Damon Rafieian

    2015-09-01

    Full Text Available We discuss the formation of TiO2 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. Substoichiometric films (TiOx<2, obtained by sputtering at relatively low oxygen concentration, formed rutile upon annealing in air, whereas stoichiometric films formed anatase. This route therefore presents a formation route for rutile films via lower (<500 °C temperature pathways. The dynamics of the annealing process were followed by in situ ellipsometry, showing the optical properties transformation. The final crystal structures were identified by XRD. The anatase film obtained by this deposition method displayed high carriers mobility as measured by time-resolved microwave conductance. This also confirms the high photocatalytic activity of the anatase films.

  13. Photocatalytic Activity Enhancement of Anatase TiO2 by Using TiO

    Directory of Open Access Journals (Sweden)

    Zhenrui Chen

    2014-01-01

    Full Text Available We employed high-energy ball-milling technique to fabricate TiO/TiO2 heterogeneous nanostructures. XRD proved the existence of TiO/TiO2 heterogeneous structures. SEM and HRTEM investigation evidenced that the mean particle size and mean grain size of the as-prepared samples are 23 nm and 13 nm, respectively. UV-Vis spectra exhibited that TiO has enhanced the visible light absorption of TiO2 and has changed the Eg of TiO2. UPS examination indicated that the electron work function (EWF of TiO is higher than that of TiO2. Photocatalytic degradation experiments revealed that an appropriate TiO content can enhance the photocatalytic activity of pure anatase TiO2. The best photocatalytic activity of TiO/TiO2 heterogeneous nanostructures is even better than that of Au-deposited TiO2 by keeping high degradation efficiency of 93%. The internal electrical field producing in TiO/TiO2 heterogeneous nanostructures was considered to be dominantly responsible for the enhanced photocatalytic activity. Therefore, the substitution of TiO with noble metal in TiO2 will be widely used in the future due to its low cost. This study also provides a clear direction of enhancing photocatalytic activity of TiO2: incorporating a guest compound into TiO2 with an appropriate content if the compound has much higher electron work function than that of TiO2.

  14. Preparation and tribological properties of stearic acid-modified hierarchical anatase TiO 2 microcrystals

    Science.gov (United States)

    Qian, Jianhua; Yin, Xiangyu; Wang, Ning; Liu, Lin; Xing, Jinjuan

    2012-01-01

    Hierarchical TiO2 microcrystals were synthesized through a facile solvothermal method. X-ray diffraction (XRD) and scanning electron microscope (SEM) measurements were used to characterize the structure of the as-prepared samples. The results indicated that the synthesized hierarchical titania (TiO2) microspheres were composed of numerous anatase phase TiO2 particles. The as-prepared samples were chemically modified with stearic acid to improve their dispersion in oil. Fourier transmission infrared spectroscopy (FT-IR) and thermogravimetry analysis (TGA) were carried out to evaluate the characteristics of the modified TiO2 microcrystals. The tribological properties of the modified TiO2 microcrystals as additives of liquid paraffin were studied by a four-ball tester, and the results showed that they could significantly improve anti-wear performance, friction-reduction property and load-carrying capacity of liquid paraffin. These advantages make the modified TiO2 microcrystals promising for green lubricating oil additives.

  15. A fast-reliable methodology to estimate the concentration of rutile or anatase phases of TiO2

    Science.gov (United States)

    Zanatta, A. R.

    2017-07-01

    Titanium-dioxide (TiO2) is a low-cost, chemically inert material that became the basis of many modern applications ranging from, for example, cosmetics to photovoltaics. TiO2 exists in three different crystal phases - Rutile, Anatase and, less commonly, Brookite - and, in most of the cases, the presence or relative amount of these phases are essential to decide the TiO2 final application and its related efficiency. Traditionally, X-ray diffraction has been chosen to study TiO2 and provides both the phases identification and the Rutile-to-Anatase ratio. Similar information can be achieved from Raman scattering spectroscopy that, additionally, is versatile and involves rather simple instrumentation. Motivated by these aspects this work took into account various TiO2 Rutile+Anatase powder mixtures and their corresponding Raman spectra. Essentially, the method described here was based upon the fact that the Rutile and Anatase crystal phases have distinctive phonon features, and therefore, the composition of the TiO2 mixtures can be readily assessed from their Raman spectra. The experimental results clearly demonstrate the suitability of Raman spectroscopy in estimating the concentration of Rutile or Anatase in TiO2 and is expected to influence the study of TiO2-related thin films, interfaces, systems with reduced dimensions, and devices like photocatalytic and solar cells.

  16. Structural study of TiO2 nanotube based to the (101) anatase surface

    Science.gov (United States)

    Dargouthi, Sarra; Minot, Christian; Tangour, Bahoueddine

    2017-02-01

    This work concerns six TiO2 (n,0) nanotubes specifically: (9,0) (10,0) (11,0) (12,0) (13,0) and (14,0). They are obtained by winding a film from the (101) anatase surface, this plane surface serving as a reference. We show that the rolling up is a destabilizing factor. Indeed, the winding provokes a rapprochement between two successive bridged oxygen atoms thus inducing repulsion between them. Structure of nanotubes leads to modulate the O-O distance from 2.845 Å to 4.541 Å whereas the unique value of the anatase is 3.809 Å. This modulation of the internuclear distance O-O may play a role in the reactivity of TiO2 process involving two neighboring oxygen and can allow the proper choice of the nanotube to be used in catalysis.

  17. Ab initio calculations of electronic structure of anatase TiO2

    Institute of Scientific and Technical Information of China (English)

    Chen Qiang; Cao Hong-Hong

    2004-01-01

    This paper presents the results of the self-consistent calculations on the electronic structure of anatase phase of TiO2. The calculations were performed using the full potential-linearized augmented plane wave method (FP-LAPW)in the framework of the density functional theory (DFT) with the generalized gradient approximation (GGA). The fully optimized structure, obtained by minimizing the total energy and atomic forces, is in good agreement with experiment.We also calculated the band structure and the density of states. In particular, the calculated band structure prefers an indirect transition between wlence and conduction bands of anatase TiO2, which may be helpful for clarifying the ambiguity in other theoretical works.

  18. In-situ synthesized mesoporous TiO2-B/anatase microparticles:Improved anodes for lithium ion batteries☆

    Institute of Scientific and Technical Information of China (English)

    Wei Zhuang; Linghong Lu; Wei Li; Rong An; Xin Feng; Xinbing Wu; Yudan Zhu; Xiaohua Lu

    2015-01-01

    Mesoporous TiO2-B/anatase microparticles have been in-situ synthesized from K2Ti2O5 without template. The TiO2-B phase around the particle surface accelerates the diffusion of charges through the interface, while the anatase phase in the core maintains the capacity stability. The heterojunction interface between the main polymorph of anatase and the trace of TiO2-B exhibits promising lithium ion battery performance. This trace of 5%(by mass) TiO2-B determined by Raman spectra brings the first discharge capacity of this material to 247 mA·h·g−1, giving 20%improvement com-pared to the anatase counterpart. Stability testing at 1 C reveals that the capacity maintains at 171 mA·h·g−1, which is better than 162 mA·h·g−1 for single phase anatase or 159 mA·h·g−1 for TiO2-B. The mesoporous TiO2-B/anatase microparticles also show superior rate performance with 100 mA·h·g−1 at 40 C, increased by nearly 25%as compared to pure anatase. This opens a possibility of a general design route, which can be applied to other metal oxide electrode materials for rechargeable batteries and supercapacitors.

  19. Alternating voltage induced ordered anatase TiO2 nanopores: An electrochemical investigation of sodium storage

    Science.gov (United States)

    Li, Simin; Xie, Lingling; Hou, Hongshuai; Liao, Hanxiao; Huang, Zhaodong; Qiu, Xiaoqing; Ji, Xiaobo

    2016-12-01

    Anatase TiO2 nanopores are successfully prepared through alternating voltage induced electrochemical synthesis (AVIES) approach at room temperature. When utilizing TiO2 nanoporous materials as an anode for Na-ion battery, it delivers a reversible charge-discharge capacity of around 180 mA h g-1 at 0.2 C (67 mA g-1) after 200 cycles. Meanwhile, it also shows a good cycling performance and a high rate capability due to unique nanoporous structures, which promote electrolyte wetting and facilitate diffusion of Na+. Additionally, cyclic voltammetry demonstrate that the sodium-ion storage of as-prepared TiO2 is a cooperative control behavior of diffusion and capacitance, but mainly controlled by capacitive behavior, which further facilitates a rapid (de-)intercalation of Na+.

  20. First-principle Calculations of V/Fe Doped Anatase TiO2

    Institute of Scientific and Technical Information of China (English)

    CAO Hong-hong; CHEN Qiang; WANG Tian-min

    2006-01-01

    The electronic structures of the titanium dioxide(TiO2) doped with V and Fe were analyzed by using first-principle calculations based on the density functional theory(DFT) with the full potential linearized augmented plane wave method (FP-LAPW). The fully optimized structure and the relaxation introduced by impurity were obtained by minimizing the total energy and atomic forces. The unit cell of the V-doped anatase TiO2 is smaller than that of the non-doped one, but for the Fe-doped one, the case is just the opposite. It is found that the apical Ti-O and impurity-O bond lengths of the V/Fe-doped anatase TiO2 are greater than those of the non-doped structure, but smaller for the equatorial bond length. Through the band structures and the density of states, the V-doped TiO2 is shown to be a kind of half-metal, while the Fe-doped TiO2 a kind of metal. The magnetic moments of the V/Fe-doped system are mainly generated by the dopants. The results may be helpful for us to understand the experimental outcome of this system.

  1. Rutile TiO2 nanowires on anatase TiO2 nanofibers: a branched heterostructured photocatalysts via interface-assisted fabrication approach.

    Science.gov (United States)

    Wang, Changhua; Zhang, Xintong; Shao, Changlu; Zhang, Yanli; Yang, Jikai; Sun, Panpan; Liu, Xueping; Liu, Hong; Liu, Yichun; Xie, Tengfeng; Wang, Dejun

    2011-11-01

    A water-dichloromethane interface-assisted hydrothermal method was employed to grow rutile TiO(2) nanowires (NWs) on electrospun anatase TiO(2) nanofibers (NFs), using highly reactive TiCl(4) as precursor. The water-dichloromethane interface inhibited the formation of rutile NWs in water phase, but promoted the selective radial growth of densely packed rutile NWs on anatase NFs to form a branched heterojunction. The density and length of rutile NWs could be readily controlled by varying reaction parameters. A formation mechanism for the branched heterojunction was proposed which involved (1) the entrapment of rutile precursor nanoparticles at water-dichloromethane interface, (2) the growth of rutile NWs on anatase NFs via Ostwald ripening through the scavengering of interface-entrapped rutile nanoparticles. The heterojunction formed at anatase NF and rutile NW enhanced the charge separation of both under ultraviolet excitation, as evidenced by photoluminescence and surface photovoltage spectra. The branched TiO(2) heterostructures showed higher photocatalytic activity in degradation of rodamine B dye solution than anatase NFs, and the mixture of anatase NFs, and P25 powders, which was discussed in terms of the synergistic effect of enhanced charge separation by anatase-rutile heterojunction, high activity of rutile NWs, and increased specific area of branched heterostructures.

  2. Ultrasonic Degradation of Methyl Orange in Presence of Y2O3 Doping Anatase TiO2 Catalyst

    Institute of Scientific and Technical Information of China (English)

    Wang Jun; Guo Baodong; Pan Zhijun; Liu Zhenrong; Wen Fuyu; Zhang Zhaohong

    2004-01-01

    Various affecting factors and degradation mechanism were studied on ultrasonic degradation of methyl orange adopting Y2O3 doping anatase TiO2 catalyst prepared in laboratory.In the experiment, the UV-VIS spectrophotometer was used to follow and inspect the degradation process of methyl orange.The results indicate that the ultrasonic degradation ratios of methyl orange in the presence of anatase TiO2 catalyst are much better than those without catalyst.Moreover, the catalytic performance of Y2O3 doping anatase TiO2 catalyst is obviously higher than that of anatase TiO2 catalyst without doping.The optimal conditions were adopted in this work and the degradation and COD elimination ratio of methyl orange got to98% and 99.0% in 90 min, respectively.

  3. An effective method for the preparation of high temperature stable anatase TiO2 photocatalysts

    Science.gov (United States)

    Fagan, Rachel; Synnott, Damian W.; McCormack, Declan E.; Pillai, Suresh C.

    2016-05-01

    An efficient, rapid and straightforward method for the preparation of nitrogen and fluorine (N, F) codoped high temperature stable anatase using a microwave pre-treatment is reported. Using a single source, ammonium fluoride (NH4F) for both nitrogen and fluorine, effective doping of the precursor titanium isopropoxide (TTIP) was possible. These samples were characterised for their structural and optical properties using X-ray diffraction (XRD), Fourier Transform IR (FTIR), Raman spectroscopy and UV-vis spectroscopy. In terms of the anatase to rutile transition enhancement using a novel microwave assisted technique, the sample prepared in a composition of 1:8 TiO2: NH4F at 1200 °C was seen to be most effective, having stable anatase present at 57.1% compared to undoped TiO2 being 100% rutile from 900 °C. This method involves the production of ammonium oxofluorotitanates (NH4TiOF3) at low temperatures. The inclusion of these intermediates greatly reduces the particle size growth and delays the anatase to rutile transition. The photocatalytic activity of these materials was studied by analysing the degradation of an organic dye, rhodamine 6G as a model system and the rate constant was calculated by pseudo-first-order kinetics. These results showed that the doped sample (0.0225 min-1) was three times more active than the undoped sample (0.0076 min-1) and over seven times faster than the commercial TiO2 photocatalyst standard Degussa P-25 calcined at 1200 °C (0.0030 min-1). The formation of intermediate compounds, oxofluorotitanates, was identified as the major reason for a delay in the anatase to rutile transition.

  4. Photoluminescence and Optical Absorption of Pure NanocrystallineTiO2 Anatase and Rutile at Room Temperature

    Directory of Open Access Journals (Sweden)

    L. Kernazhitsky

    2013-10-01

    Full Text Available The optical absorption and photoluminescence of nanocrystalline TiO2 samples of anatase and rutile were investigated at room temperature. Nanocrystalline TiO2 samples were synthesized in the form of pure anatase or rutile and studied by X-ray diffraction, X-ray fluorescence, Raman spectroscopy, optical absorption and photoluminescence (PL. PL was studied at room temperature when excited by intense UV (3.68 eV by a nitrogen laser. For the first time for nanocrystalline TiO2 a features in the high-resolution PL spectra, including the exciton band and interband transitions were registered. It is concluded that the processes of absorption and emission of light near the edge of the forbidden zone occur with the participation of the same electronic transitions. PL bands, including the peaks at 2.71-2.81 eV in the anatase and rutile arise due to exciton recombination in the TiO2 lattice oxygen vacancies. The exciton peak at 2.91 eV is attributed to the recombination of self-trapped excitons in anatase or to the free exciton in rutile, respectively. PL bands within 3.0-3.3 eV attributed to indirect and direct allowed transitions due to electron-hole recombination. PL bands at 3.03 eV and 3.26 eV, attributed to the emission of free excitons near the fundamental absorption edge of rutile and anatase, respectively. The influence of TiO2 crystal structure and calcination temperature of the samples on the PL spectra and optical absorbtion is discussed.

  5. Hydrofluoric Acid Controlled TiO2 Phase Transformation from Rutile to Anatase at Room Temperature and Their Photocatalytic Performance.

    Science.gov (United States)

    Ge, Suxiang; Li, Dapeng; Jia, Gaoyang; Wang, Beibei; Yang, Zhen; Yang, Zongyang; Qiao, Hui; Zhang, Yange; Zheng, Zhi

    2015-09-01

    In this study, we first present rutile TiO2 superstructures could be successfully transformed into anatase TiO2 nanoparticles at room temperature by adjusting the amount of hydrofluoric acid (HF) used in aqueous solution. Photocatalytic experiments demonstrated that the as prepared anatase TiO2 exhibited better photocatalytic performance than that of rutile TiO2. We further studied the photocatalytic degradation of RhB on different TiO2 via active species trapping experiments and confirmed that the presence of surface F- on TiO2 was beneficial for the formation of *OH, which was thought to be mainly responsible for the enhancement of photocatalytic performance.

  6. C-doped mesoporous anatase TiO2 comprising 10nm crystallites.

    Science.gov (United States)

    Xie, Chong; Yang, Shenghui; Li, Beibei; Wang, Hongkong; Shi, Jian-Wen; Li, Guodong; Niu, Chunming

    2016-08-15

    We report a C-doped mesoporous anatase TiO2 with high surface area synthesized using multi-walled carbon nanotube (MWCNT) mat as a "rigid" template and carbon doping source. The characterization by SEM, HRTEM, X-ray diffraction and nitrogen adsorption revealed that TiO2 samples have a porous structure which are figuratively a inverse copy of MWCNT network and pore walls are formed by interconnected TiO2 nanoparticles with average diameter of ∼10nm. We found that annealing temperatures from 400 to 1000°C before MWCNT template removal had very limited effect on particle size (∼10nm), surface area (112-129m(2)/g) and total pore volume (0.74-0.85m(2)/g) of the samples through a significantly delayed phase transition from anatase to rutile started at 800°C, resulting in only ∼9.1% conversion at 1000°C. The pore size distribution is in mesopore range from 6 to 60nm peaked at ∼24nm. XPS analysis showed a relatively strong C1s peak at 288.4eV, indicating C doping at Ti sites, which is responsible for red shift of adsorption edge of UV-vis spectra and photocatalytic activity in visible-light region.

  7. Dispersion and Structure Studies of Molybdenum Oxide on Anatase TiO2

    Institute of Scientific and Technical Information of China (English)

    ZI Feng-lan; GUO Hong-you; WU Nian-zu; XIE Ya-ning; HU Tian-dou

    2004-01-01

    X-ray photoelectron spectroscopy(XPS) and extended X-ray absorption fine structure(EXAFS) were used to characterize the structure of the mixture of molybdenum oxide and anatase calcined at 723 K. The results indicate that molybdenum oxide can disperse onto the surface of anatase(TiO2) and the dispersion threshold is 11.2 mg in per gram of MoO3 or 4.8 Mo atoms/nm2 TiO2. When the content of MoO3 is below the dispersion threshold, MoO3 species is in highly dispersed state interacting strongly with TiO2 support and in discrete tetrahedral coordination, [MoO4], on the surface of TiO2. When the MoO3 loading is above this value, MoO3 exists in both dispersed phase and crystalline phase. MoO3 in dispersed phase is still a discrete [MoO4] tetrahedron; MoO3 in crystal phase is in octahedral coordination.

  8. Surface Treatment for Effective Dye Adsorption on Nanocrystalline TiO2

    Science.gov (United States)

    Yanagida, Masatoshi; Han, Chen; Han, Liyuan

    2012-10-01

    To improve the efficiency of dye-sensitized solar cells (DSCs) by controlling dye adsorption on TiO2 surface, the effect of surface treatments on the properties of [NBu4]2[Ru(Htcterpy)(NCS)3] (black dye; [NBu4]: tetrabutylammonium cation; H3tcterpy: 4,4',4''-tricarboxy-2,2':6',2''-terpyridine) on nanocrystalline TiO2 films was investigated by analysis of the photovoltaic performance and the electron transport properties. Although the surface treatments do not affect on the condition band edge of TiO2, the amount of dye on TiO2 increases. The enhancement of dye adsorption by treatment of TiO2 in HCl solution is more effective than that by dipping the dye solution containing deoxycholic acid (DCA) as additive. But the charge recombination between an electron in TiO2 and I3- in the electrolyte can be reduced by the DCA treatment.

  9. Sonocatalytic damage of bovine serum albumin (BSA) in the presence of nanometer anatase titanium dioxide (TiO2).

    Science.gov (United States)

    Wang, Jun; Wu, Jing; Zhang, Zhaohong; Zhang, Xiangdong; Pan, Zhijun; Wang, Lei; Xu, Liang

    2006-01-01

    The nanometer anatase titanium dioxide (TiO2) (a kind of crystal type of TiO2) powder was adopted as the sonocatalyst for the damage of bovine serum albumin (BSA) used as a model protein by low-power ultrasound (US) (80 kHz, 80 W). The effects of several factors on the damage of BSA molecule were reviewed by means of ultraviolet destruction and circular dichroism spectra. It was found that the BSA molecule underwent destruction of the secondary structure and loss of the alpha-helical configuration to a certain extent under ultrasonic irradiation in the presence of nanometer anatase TiO2 powder and that the damage caused by US integrated with TiO2 was more serious than those by only US or only TiO2. Furthermore, the damage degree was aggravated with the increase of TiO2, added to saturation, and then it was slowly weakened with the excessive TiO2. When a suitable amount of acid or base was added into the BSA solution, the sonocatalytic damage was also aggravated. Because the functions of proteins are decided by their space configurations, the changes of the configurations might cause the forfeiture of their function, even the apoptosis or necrosis of cells. Perhaps, an effective method of killing cancer cells by sonocatalytic damage of protein molecules in the presence of nanometer anatase TiO2 could be obtained from these experimental results.

  10. First-principles study of atomic structure and electronic properties of Si and F doped anatase TiO2

    Directory of Open Access Journals (Sweden)

    Li Hongping

    2015-09-01

    Full Text Available Chemical doping represents one of the most effective ways in engineering electronic structures of anatase TiO2 for practical applications. Here, we investigate formation energies, geometrical structures, and electronic properties of Si-, F-doped and Si/F co-doped anatase TiO2 by using spin-polarized density functional theory calculation. We find that the co-doped TiO2 is thermodynamically more favorable than the Si- and F-doped TiO2- Structural analysis shows that atomic impurity varies crystal constants slightly. Moreover, all the three doped systems show a pronounced narrowing of band gap by 0.33 eV for the F-doped TiO2, 0.17 eV for the Si-doped TiO2, and 0.28 eV for the Si/F-co-doped TiO2, which could account for the experimentally observed redshift of optical absorption edge. Our calculations suggest that the Si/F-co-doping represents an effective way in tailoring electronic structure and optical properties of anatase TiO2.

  11. Anatase TiO2 Nanospindle/Activated Carbon (AC Composite Photocatalysts with Enhanced Activity in Removal of Organic Contaminant

    Directory of Open Access Journals (Sweden)

    Wuyi Zhou

    2012-01-01

    Full Text Available This paper embarks upon the three levels of analysis ranging from nanoscale materials synthesis to combination and functionality. Firstly, we have prepared anatase TiO2 nanospindles with an even length of about 200 nm and a central width of about 25 nm by hydrothermal synthesis method at 100°C for 6 h. Secondly, we have dispersed TiO2 nanospindles on the surface of activated carbon (AC and fabricated TiO2/AC composite via a dip-coating method. Thirdly, the TiO2/AC composite has been studied as the photocatalyst to remove the organic contaminants in the waste water and exhibits excellent degradation rate in comparison with pure anatase TiO2 nanospindles.

  12. Effect on Electron Structure and Magneto-Optic Property of Heavy W-Doped Anatase TiO2.

    Science.gov (United States)

    Hou, Qingyu; Zhao, Chunwang; Guo, Shaoqiang; Mao, Fei; Zhang, Yue

    2015-01-01

    The spin or nonspin state of electrons in W-doped anatase TiO2 is very difficult to judge experimentally because of characterization method limitations. Hence, the effect on the microscopic mechanism underlying the visible-light effect of W-doped anatase TiO2 through the consideration of electronic spin or no-spin states is still unknown. To solve this problem, we establish supercell models of W-doped anatase TiO2 at different concentrations, followed by geometry optimization and energy calculation based on the first-principle planewave norm conserving pseudo-potential method of the density functional theory. Calculation results showed that under the condition of nonspin the doping concentration of W becomes heavier, the formation energy becomes greater, and doping becomes more difficult. Meanwhile, the total energy increases, the covalent weakens and ionic bonds strengthens, the stability of the W-doped anatase TiO2 decreases, the band gap increases, and the blue-shift becomes more significant with the increase of W doping concentration. However, under the condition of spin, after the band gap correction by the GGA+U method, it is found that the semimetal diluted magnetic semiconductors can be formed by heavy W-doped anatase TiO2. Especially, a conduction electron polarizability of as high as near 100% has been found for the first time in high concentration W-doped anatase TiO2. It will be able to be a promising new type of dilute magnetic semiconductor. And the heavy W-doped anatase TiO2 make the band gap becomes narrower and absorption spectrum red-shift.

  13. Effect on Electron Structure and Magneto-Optic Property of Heavy W-Doped Anatase TiO2.

    Directory of Open Access Journals (Sweden)

    Qingyu Hou

    Full Text Available The spin or nonspin state of electrons in W-doped anatase TiO2 is very difficult to judge experimentally because of characterization method limitations. Hence, the effect on the microscopic mechanism underlying the visible-light effect of W-doped anatase TiO2 through the consideration of electronic spin or no-spin states is still unknown. To solve this problem, we establish supercell models of W-doped anatase TiO2 at different concentrations, followed by geometry optimization and energy calculation based on the first-principle planewave norm conserving pseudo-potential method of the density functional theory. Calculation results showed that under the condition of nonspin the doping concentration of W becomes heavier, the formation energy becomes greater, and doping becomes more difficult. Meanwhile, the total energy increases, the covalent weakens and ionic bonds strengthens, the stability of the W-doped anatase TiO2 decreases, the band gap increases, and the blue-shift becomes more significant with the increase of W doping concentration. However, under the condition of spin, after the band gap correction by the GGA+U method, it is found that the semimetal diluted magnetic semiconductors can be formed by heavy W-doped anatase TiO2. Especially, a conduction electron polarizability of as high as near 100% has been found for the first time in high concentration W-doped anatase TiO2. It will be able to be a promising new type of dilute magnetic semiconductor. And the heavy W-doped anatase TiO2 make the band gap becomes narrower and absorption spectrum red-shift.

  14. Molybdenum-Loaded Anatase TiO2 Nanoparticles With Enhanced Optoelectronics Properties

    Science.gov (United States)

    Bargougui, R.; Bouazizi, N.; Ammar, S.; Azzouz, A.

    2017-01-01

    The structural, optical and electrical properties of molybdenum nanoparticles (Mo-NPs)-loaded anatase TiO2 were investigated using x-ray diffraction, UV-Vis diffuse reflectance, and Fourier transform infrared and complex impedance spectroscopy. x-ray diffraction showed that Mo-NPs incorporation induced a decrease in particle size from 30 nm to 21 nm of TiO2 and TiO2-Mo, respectively, producing a slight structure expansion. Mo-NPs dispersion resulted in a slight decrease in the optical band gap energy from 3.85 eV to 3.51 eV. Slight shifts towards higher wavelengths were attributed to the change in the acceptor capacity level induced by Mo-NPs. In addition, the ac impedance studies show the effect of Mo-NPs incorporation that appeared to be responsible for conductance of enhancement. The conduction mechanism is based on space charge-limited current via deep levels with different energy positions in the band gap. The temperature dependence of electrical properties showed that both capacitance and conductance of TiO2-Mo samples increased with increasing temperature. At low frequency, the relaxation phenomenon is related to the surface effect. The results will be beneficial to further developing titanium dioxide photo-catalysts.

  15. Simple way to make Anatase TiO2 films on FTO glass for promising solar cells

    OpenAIRE

    Raghavender, A. T.; Samantilleke, A. P.; Sá,Pedro; Almeida, B. G.; Vasilevskiy, Mikhail; Nguyen Hoa Hong

    2011-01-01

    TiO2 is a wide bandgap semiconductor material used as the photo anode in dye sensitized solar cells (DSSC). The fabrication of TiO2 on conductive glass substrates plays an important role in the solar cell efficiency, since the thickness of the TiO2 coating affects the transmission, photoconductive properties and the efficiency of solar cells. The uncorrected transmission in our fabricated films is as high as 80%, and the bandgap obtained is similar to that of bulk anatase TiO2, co...

  16. Anatase TiO2 Nanospindle/Activated Carbon (AC) Composite Photocatalysts with Enhanced Activity in Removal of Organic Contaminant

    OpenAIRE

    Wuyi Zhou; Peng Zhang; Weian Liu

    2012-01-01

    This paper embarks upon the three levels of analysis ranging from nanoscale materials synthesis to combination and functionality. Firstly, we have prepared anatase TiO2 nanospindles with an even length of about 200 nm and a central width of about 25 nm by hydrothermal synthesis method at 100°C for 6 h. Secondly, we have dispersed TiO2 nanospindles on the surface of activated carbon (AC) and fabricated TiO2/AC composite via a dip-coating method. Thirdly, the TiO2/AC composite has been studied ...

  17. Adsorption and reactions of O2 on anatase TiO2.

    Science.gov (United States)

    Li, Ye-Fei; Aschauer, Ulrich; Chen, Jia; Selloni, Annabella

    2014-11-18

    CONSPECTUS: The interaction of molecular oxygen with titanium dioxide (TiO2) surfaces plays a key role in many technologically important processes such as catalytic oxidation reactions, chemical sensing, and photocatalysis. While O2 interacts weakly with fully oxidized TiO2, excess electrons are often present in TiO2 samples. These excess electrons originate from intrinsic reducing defects (oxygen vacancies and titanium interstitials), doping, or photoexcitation and form polaronic Ti(3+) states in the band gap near the bottom of the conduction band. Oxygen adsorption involves the transfer of one or more of these excess electrons to an O2 molecule at the TiO2 surface. This results in an adsorbed superoxo (O2(-)) or peroxo (O2(2-)) species or in molecular dissociation and formation of two oxygen adatoms (2 × O(2-)). Oxygen adsorption is also the first step toward oxygen incorporation, a fundamental reaction that strongly affects the chemical properties and charge-carrier densities; for instance, it can transform the material from an n-type semiconductor to a poor electronic conductor. In this Account, we present an overview of recent theoretical work on O2 adsorption and reactions on the reduced anatase (101) surface. Anatase is the TiO2 polymorph that is generally considered most active in photocatalysis. Experiments on anatase powders have shown that the properties of photoexcited electrons are similar to those of excess electrons from reducing defects, and therefore, oxygen on reduced anatase is also a model system for studying the role of O2 in photocatalysis. Experimentally, the characteristic Ti(3+) defect states disappear after adsorption of molecular oxygen, which indicates that the excess electrons are indeed trapped by O2. Moreover, superoxide surface species associated with two different cation surface sites, possibly a regular cation site and a cation close to an anion vacancy, were identified by electron paramagnetic resonance spectroscopy. On the

  18. Characterization of anatase TiO2 nanopowder by variable-temperature Raman spectroscopy

    Directory of Open Access Journals (Sweden)

    Šćepanović Maja J.

    2009-01-01

    Full Text Available Raman spectroscopy has been used for characterization of commercial nanosized TiO2 powder with declared grain size of 5 nm. The Raman spectra measured in Stokes and anti-Stokes regime confirm the anatase phase of TiO2 powder in temperature range 25-1173K. It is shown that phonon-confinement (due to small grain size and nonstoichiometry (caused by laser irradiation in vacuum have a great influence on blueshift and broadening of the main Eg Raman mode at low temperatures, while the influence of the strong anharmonic effect becomes dominant at higher temperatures. The phonon confinement effect decreases due to the crystallite growth at temperatures above 673K.

  19. Anatase-brookite mixed phase nano TiO2 catalyzed homolytic decomposition of ammonium nitrate.

    Science.gov (United States)

    Vargeese, Anuj A; Muralidharan, Krishnamurthi

    2011-09-15

    Compared to the conventional ammonium perchlorate based solid rocket propellants, burning of ammonium nitrate (AN) based propellants produce environmentally innocuous combustion gases. Application of AN as propellant oxidizer is restricted due to low reactivity and low energetics besides its near room temperature polymorphic phase transition. In the present study, anatase-brookite mixed phase TiO(2) nanoparticles (~ 10 nm) are synthesized and used as catalyst to enhance the reactivity of the environmental friendly propellant oxidizer ammonium nitrate. The activation energy required for the decomposition reactions, computed by differential and non-linear integral isoconversional methods are used to establish the catalytic activity. Presumably, the removal of NH(3) and H(2)O, known inhibitors of ammonium nitrate decomposition reaction, due to the surface reactions on active surface of TiO(2) changes the decomposition pathway and thereby the reactivity.

  20. Antibacterial activity of single crystalline silver-doped anatase TiO2 nanowire arrays

    Science.gov (United States)

    Zhang, Xiangyu; Li, Meng; He, Xiaojing; Hang, Ruiqiang; Huang, Xiaobo; Wang, Yueyue; Yao, Xiaohong; Tang, Bin

    2016-05-01

    Well-ordered, one-dimensional silver-doped anatase TiO2 nanowire (AgNW) arrays have been prepared through a hydrothermal growth process on the sputtering-deposited AgTi layers. Electron microscope analyses reveal that the as-synthesized AgNW arrays exhibit a single crystalline phase with highly uniform morphologies, diameters ranging from 85 to 95 nm, and lengths of about 11 μm. Silver is found to be doped into TiO2 nanowire evenly and mainly exists in the zerovalent state. The AgNW arrays show excellent efficient antibacterial activity against Escherichia coli (E. coli), and all of the bacteria can be killed within 1 h. Additionally, the AgNW arrays can still kill E. coli after immersion for 60 days, suggesting the long-term antibacterial property. The technique reported here is environmental friendly for formation of silver-containing nanostructure without using any toxic organic solvents.

  1. Thermal catalytic oxidation of octachloronaphthalene over anatase TiO2 nanomaterial and its hypothesized mechanism

    Science.gov (United States)

    Su, Guijin; Li, Qianqian; Lu, Huijie; Zhang, Lixia; Huang, Linyan; Yan, Li; Zheng, Minghui

    2015-12-01

    As an environmentally-green technology, thermal catalytic oxidation of octachloronaphthalene (CN-75) over anatase TiO2 nanomaterials was investigated at 300 °C. A wide range of oxidation intermediates, which were investigated using various techniques, could be of three types: naphthalene-ring, single-benzene-ring, and completely ring-opened products. Reactive oxygen species on anatase TiO2 surface, such as O2-• and O2-, contributed to oxidative degradation. Based on these findings, a novel oxidation degradation mechanism was proposed. The reaction at (101) surface of anatase TiO2 was used as a model. The naphthalene-ring oxidative products with chloronaphthols and hydroxyl-pentachloronaphthalene-dione, could be formed via attacking the carbon of naphthalene ring at one or more positions by nucleophilic O2-. Lateral cleavage of the naphthalene ring at different C1-C10 and C4-C9, C1-C2 and C4-C9, C1-C2 or and C3-C4 bond positions by electrophilic O2-• could occur. This will lead to the formation of tetrachlorophenol, tetrachloro-benzoic acid, tetrachloro-phthalaldehyde, and tetrachloro-acrolein-benzoic acid, partially with further transformation into tetrachlorobenzene-dihydrodiol and tetrachloro-salicylic acid. Unexpectedly, the symmetric half section of CN-75 could be completely remained with generating the intricate oxidative intermediates characteristically containing tetrachlorobenzene structure. Complete cleavage of naphthalene ring could produce the ring-opened products, such as formic and acetic acids.

  2. Photocatalytic Studies of Anatase and Rutile phase TiO2 Nanocrystals Prepared via Solvothermal method

    Directory of Open Access Journals (Sweden)

    S.Perumal

    2015-08-01

    Full Text Available Nanocrystals of TiO2 photocatalyst have been synthesized by solvothermal method. The photocatalysts were characterized by XRD, UV–Vis spectroscopy and photocatalytic study. The analysis from X-ray diffraction revealed that the annealed product at 1000˚C shows crystal phase of rutile and all others are in anatase phase. FTIR spectra show the vibration of Ti-O bands around 650 cm-1 . UV-Vis spectra indicated the band gap value of annealed samples.

  3. Photoinduced properties of nanocrystalline TiO2 sol–gel derived thin films

    Indian Academy of Sciences (India)

    Akbar Eshaghi; Mahmoud Pakshir; Reza Mozaffarinia

    2010-08-01

    In this paper, nanostructure TiO2 thin films were deposited on glass substrates by sol–gel dip coating technique. X-ray diffraction and Fourier transform infrared spectroscopy were used to determine film behaviour. The super-hydrophilicity was assessed by contact angle measurement. Photocatalytic properties of these films were evaluated by degradation of methylene blue under UV irradiation. The XRD pattern of TiO2 powder samples confirmed the presence of polycrystalline anatase phase with a crystal size of 17 nm. The results indicated that UV light irradiation had significant effect on super-hydrophilic and photocatalytic properties of TiO2 thin films.

  4. Adsorption and solar light decomposition of acetone on anatase TiO2 and niobium doped TiO2 thin films.

    Science.gov (United States)

    Mattsson, Andreas; Leideborg, Michael; Larsson, Karin; Westin, Gunnar; Osterlund, Lars

    2006-01-26

    Adsorption and solar light decomposition of acetone was studied on nanostructured anatase TiO2 and Nb-doped TiO2 films made by sol-gel methods (10 and 20 mol % NbO2.5). A detailed characterization of the film materials show that films contain only nanoparticles with the anatase modification with pentavalent Nb oxide dissolved into the anatase structure, which is interpreted as formation of substituted Nb=O clusters in the anatase lattice. The Nb-doped films displayed a slight yellow color and an enhanced the visible light absorption with a red-shift of the optical absorption edge from 394 nm for the pure TiO2 film to 411 nm for 20 mol % NbO2.5. In-situ Fourier transform infrared (FTIR) transmission spectroscopy shows that acetone adsorbs associatively with eta1-coordination to the surface cations on all films. On Nb-doped TiO2 films, the carbonyl bonding to the surface is stabilized, which is evidenced by a lowering of the nu(C=O) frequency by about 20 cm(-1) to 1672 cm(-1). Upon solar light illumination acetone is readily decomposed on TiO2, and stable surface coordinated intermediates are formed. The decomposition rate is an order of magnitude smaller on the Nb-doped films despite an enhanced visible light absorption in these materials. The quantum yield is determined to be 0.053, 0.004 and 0.002 for the pure, 10% Nb:TiO2, and 20%Nb:TiO2, respectively. Using an interplay between FTIR and DFT calculations we show that the key surface intermediates are bidentate bridged formate and carbonate, and H-bonded bicarbonate, respectively, whose concentration on the surface can be correlated with their heats of formation and bond strength to coordinatively unsaturated surface Ti and Nb atoms at the surface. The oxidation rate of these intermediates is substantially slower than the initial acetone decomposition rate, and limits the total oxidation rate at t>7 min on TiO2, while no decrease of the rate is observed on the Nb-doped films. The rate of degradation of key surface

  5. Band structure engineering of anatase TiO2 by metal-assisted P-O coupling.

    Science.gov (United States)

    Wang, Jiajun; Meng, Qiangqiang; Huang, Jing; Li, Qunxiang; Yang, Jinlong

    2014-05-07

    In this work, we demonstrate that the metal-assisted P-O coupling is an effective approach to improve the photoelectrochemical properties of TiO2. The (Sc + P) and (In + P) codoping effects on electronic structures and photocatalytic activities of anatase TiO2 are examined by performing hybrid density functional theory calculations. It is found that the coupling of P dopant with the second-nearest neighboring O atom assisted by acceptor metals (Sc/In) leads to the fully occupied and delocalized intermediate bands within the band gap of anatase TiO2, which is driven by the P-O antibonding states (π*). This metal-assisted P-O coupling can prevent the recombination of photogenerated electron-hole pairs and effectively reduce the band gap of TiO2. Moreover, the band edge alignments in (Sc + P) and (In + P) codoped anatase TiO2 are desirable for water-splitting. The calculated optical absorption curves indicate that (Sc + P) and (In + P) codoping in anatase TiO2 can also effectively enhance the visible light absorption.

  6. Association of anatase (TiO2) and microbes: unusual fossilization effect or a potential biosignature?

    Science.gov (United States)

    Glamoclija, Mihaela; Andrew Steele,; Marc Fries,; Juergen Schieber,; Voytek, Mary A.; Charles S. Cockell,

    2015-01-01

    We combined microbial paleontology and molecular biology methods to study the Eyreville B drill core from the 35.3-Ma-old Chesapeake Bay impact structure,Virginia, USA. The investigated sample is a pyrite vein collected from the 1353.81-1353.89 m depth interval, located within a section of biotite granite. The granite is a pre-impact rock that was disrupted by the impact event. A search for inorganic (mineral) biosignatures revealed the presence of micron-size rod morphologies of anatase (TiO2) embedded in chlorite coatings on pyrite grains. Neither the Acridine Orange microbial probe nor deoxyribonucleic acid (DNA) extraction followed by polymerase chain reaction (PCR) amplifi cation showed the presence of DNA or ribonucleic acid (RNA) at the location of anatase rods, implying the absence of viable cells in the investigated area. A Nile Red microbial probe revealed the presence of lipids in the rods. Because most of the lipids are resistant over geologic time spans, they are good biomarkers, and they are an indicator of biogenicity for these possibly 35-Ma-old microbial fossils. The mineral assemblage suggests that rod morphologies are associated with low-temperature (<100 °C) hydrothermal alteration that involved aqueous fl uids. The temporal constraints on the anatase fossils are still uncertain because pre-impact alteration of the granite and postimpact heating may have provided identical conditions for anatase precipitation and microbial preservation.

  7. CdS and CdSe quantum dot co-sensitized nanocrystalline TiO2 electrode: Quantum dot distribution, thickness optimization, and the enhanced photovoltaic performance

    Science.gov (United States)

    Wang, Shimao; Dong, Weiwei; Fang, Xiaodong; Wu, Suzhen; Tao, Ruhua; Deng, Zanhong; Shao, Jingzhen; Hu, Linhua; Zhu, Jun

    2015-01-01

    The anatase TiO2 nanoparticle films with different thicknesses have been fabricated through screen printing method, and CdS and CdSe quantum dots (QDs) have been deposited on TiO2 films in turn through successive ionic layer adsorption and reaction (SILAR) method. It has been found that the amount of QDs decreases significantly and the size of QDs increases obviously with the depth increasing in TiO2 nanoparticle films, and the size distribution of QDs shifts to large-size direction with the TiO2 film thickness increasing. Furthermore, a qualitative model of CdS/CdSe quantum dot distribution in TiO2 nanoparticle films has been obtained. After optimizing the TiO2 film thickness, the quantum dot-sensitized solar cells (QDSCs) with about 10 μm thick nanocrystalline TiO2 electrodes and Pt counter electrodes have reached relatively high power conversion efficiencies of 3.26 ± 0.10% under one sun illumination (100 mW cm-2, AM 1.5 G).

  8. Ultraviolet emission enhancement in ZnO thin films modified by nanocrystalline TiO2

    Science.gov (United States)

    Zheng, Gaige; Lu, Xi; Qian, Liming; Xian, Fenglin

    2017-05-01

    In this study, nanocrystalline TiO2 modified ZnO thin films were prepared by electron beam evaporation. The structural, morphological and optical properties of the samples were analyzed by X-ray diffraction (XRD), scanning electron microscopy (SEM), high-resolution transmission electron microscopy (HRTEM), UV-visible spectroscopy, fluorescence spectroscopy, respectively. The composition of the films was examined by energy dispersive X-ray spectroscopy (EDX). The photoluminescent spectrum shows that the pure ZnO thin film exhibits an ultraviolet (UV) emission peak and a strong green emission band. Surface analysis indicates that the ZnO thin film contains many oxygen vacancy defects on the surface. After the ZnO thin film is modified by the nanocrystalline TiO2 layer, the UV emission of ZnO is largely enhanced and the green emission is greatly suppressed, which suggests that the surface defects such as oxygen vacancies are passivated by the TiO2 capping layer. As for the UV emission enhancement of the ZnO thin film, the optimized thickness of the TiO2 capping layer is ∼16 nm. When the thickness is larger than 16 nm, the UV emission of the ZnO thin film will decrease because the TiO2 capping layer absorbs most of the excitation energy. The UV emission enhancement in the nanocrystalline TiO2 modified ZnO thin film can be attributed to surface passivation and flat band effect.

  9. Effects of Additive AlCl3 on Crystal Phase, Particle Size and Microstructural Parameters of Nanocrystalline TiO2 Prepared by HF-PCVD

    Institute of Scientific and Technical Information of China (English)

    Haiping XU; Yanping SUN; Xinmou CHEN

    2004-01-01

    Nanocrystalline TiO2 was prepared by high frequency plasma chemical vapor deposition (HF-PCVD). The effects of additive AlCl3 on crystal phase, particle size and microstructural parameters of TiO2 nanocrystallites were investigated by X-ray diffraction(XRD) and transmission electron microscopy (TEM). The nanocrystallites obtained experimentally are mixture of anatase and rutile, the uniform diameters of particles are about 30 nm. The phase transformation from anatase to rutile was accelerated by AlCl3, and rutile content is increased from 26.7 wt pct to 53.6 wt pct with increasing of addition of AlCl3 from 0.0 wt pct to 5.0 wt pct. The particle size is reduced and the size distribution becomes very narrow. The crystal lattice constants have the trend to decrease, and cell volumes appear as shrinkable.

  10. Photosensitization of Nanocrystalline TiO2 Electrode Modifiedwith C60 Carboxylic Acid Derivatives

    Institute of Scientific and Technical Information of China (English)

    张文; 史亚茹; 甘良兵; 黄春辉; 王艳琴; 虎民

    2001-01-01

    C60 carboxylic acid derivatives can be readily adsorbed on the surface of nanocrystalline TiO2 films act as charge-transfer sensitizer. The electron transport from TiO2 to the C60 derivatives results in the generation of the cathodic photocurrent. The short-circuit photocurrent of a C60 tetracarboxylic acid is 0.45 μA/cm2 under 464 um light illumination. The photoelectric behaviour of ITO electrodes modified by the same C60 carboxylic acids is different from that of the modified TiO2 electrodes, and shows anodic photocurrent.

  11. Sol-gel synthesis of mesoporous anatase-brookite and anatase-brookite-rutile TiO2 nanoparticles and their photocatalytic properties.

    Science.gov (United States)

    Mutuma, Bridget K; Shao, Godlisten N; Kim, Won Duck; Kim, Hee Taik

    2015-03-15

    TiO2 photocatalysts with a mixture of different TiO2 crystal polymorphs have customarily been synthesized hydrothermally at high temperatures using complicated and expensive equipment. In this study TiO2 nanoparticles with a mixture of TiO2 crystals were synthesized using a modified sol-gel method at low temperature. In order to form nanoparticles with different polymorphs a series of samples were obtained at pH 2, 4, 7 and 9. Raw samples were calcined at different temperatures ranging from 200 to 800°C to evaluate the effect of the calcination temperature on the physico-chemical properties of the samples. XRD results revealed that a mixture of anatase and brookite can be obtained in the as-synthesized samples and in those calcined up to 800°C depending on the pH used to obtain the final product. Indeed, a mixture of anatase brookite and rutile; or a sample with only rutile phase can be yielded through further calcination of the as-prepared samples at temperatures ⩾600°C due to phase transformation. The photocatalytic performance of the samples with a mixture of anatase-brookite; anatase-brookite-rutile; and anatase-rutile (Degussa P25 TiO2) was exquisitely investigated in the degradation of methylene blue solutions. The samples obtained at pH 2 and calcined at 200°C possessed the highest activity of all due to its superior properties. This study elucidates a facile method suitable for the synthesis of TiO2 with different mixtures of TiO2 polymorphs with desirable properties for various applications.

  12. Preparation of Highly Crystalline TiO2 Nanostructures by Acid-assisted Hydrothermal Treatment of Hexagonal-structured Nanocrystalline Titania/Cetyltrimethyammonium Bromide Nanoskeleton

    Directory of Open Access Journals (Sweden)

    Sakai Hideki

    2010-01-01

    Full Text Available Abstract Highly crystalline TiO2 nanostructures were prepared through a facile inorganic acid-assisted hydrothermal treatment of hexagonal-structured assemblies of nanocrystalline titiania templated by cetyltrimethylammonium bromide (Hex-ncTiO2/CTAB Nanoskeleton as starting materials. All samples were characterized by X-ray diffraction (XRD and transmission electron microscopy (TEM. The influence of hydrochloric acid concentration on the morphology, crystalline and the formation of the nanostructures were investigated. We found that the morphology and crystalline phase strongly depended on the hydrochloric acid concentrations. More importantly, crystalline phase was closely related to the morphology of TiO2 nanostructure. Nanoparticles were polycrystalline anatase phase, and aligned nanorods were single crystalline rutile phase. Possible formation mechanisms of TiO2 nanostructures with various crystalline phases and morphologies were proposed.

  13. Niobium doping induced morphological changes and enhanced photocatalytic performance of anatase TiO2

    Science.gov (United States)

    Wu, Ming-Chung; Lin, Ting-Han; Chih, Jyun-Sian; Hsiao, Kai-Chi; Wu, Po-Yeh

    2017-04-01

    In order to develop high-performance photocatalysts that are easy to produce even in industrial quantities, we developed a facile method of preparing niobium-doped titanium dioxide (Nb:TiO2) by hydrothermal synthesis and followed by thermal annealing treatment. Niobium-ion doping has been considered as an effective way to improve Nb:TiO2 performance for applications in photocatalysis. Niobium-ion doping of anatase TiO2 induced the morphological changes of Nb:TiO2. Morphological analysis shows sub-microscale fibers at doping concentration lower than 1.00 mol % and nanoscale rods at the doping concentration higher than 1.00 mol %. For the catalyzed photodegradation of methyl orange under visible light irradiation, 0.50 mol % Nb:TiO2 shows the highest activity among the synthesized Nb:TiO2 specimens. Also, for photocatalytic hydrogen generation, its photocatalytic activity is even higher than that of commercial TiO2-P25. In this study, we demonstrated the fabrication of a series of superior Nb:TiO2 specimens. It is a reasonable alternative to commercial TiO2 materials for various applications in the decomposition of organic dyes under visible light irradiation.

  14. Removal of nitric oxide by the highly reactive anatase TiO2 (001) surface: a density functional theory study.

    Science.gov (United States)

    Zhao, Wenwen; Tian, Feng Hui; Wang, Xiaobin; Zhao, Linghuan; Wang, Yun; Fu, Aiping; Yuan, Shuping; Chu, Tianshu; Xia, Linhua; Yu, Jimmy C; Duan, Yunbo

    2014-09-15

    In this paper, density functional theory (DFT) calculation was employed to study the adsorption of nitric oxide (NO) on the highly reactive anatase TiO2 (001) surface. For comparison, the adsorption of NO on the (101) surface was also considered. Different from the physical adsorption on the (101) surface, NO molecules are found to chemisorb on the TiO2 (001) surface. The twofold coordinate oxygen atoms (O2c) on the anatase (001) surface are the active sites. Where NO is oxidized into a nitrite species (NO2(-)) trapping efficiently on the surface, with one of the surface Ti5c-O2c bonds adjacent to the adsorption site broken. Our results, therefore, supply a theoretical guidance to remove NO pollutants using highly reactive anatase TiO2 (001) facets.

  15. Cellulose Tailored Anatase TiO2 Nanospindles in Three-Dimensional Graphene Composites for High-Performance Supercapacitors.

    Science.gov (United States)

    Ding, Yangbin; Bai, Wei; Sun, Jinhua; Wu, Yu; Memon, Mushtaque A; Wang, Chao; Liu, Chengbin; Huang, Yong; Geng, Jianxin

    2016-05-18

    The morphologies of transition metal oxides have decisive impact on the performance of their applications. Here, we report a new and facile strategy for in situ preparation of anatase TiO2 nanospindles in three-dimensional reduced graphene oxide (RGO) structure (3D TiO2@RGO) using cellulose as both an intermediate agent eliminating the negative effect of graphene oxide (GO) on the growth of TiO2 crystals and as a structure-directing agent for the shape-controlled synthesis of TiO2 crystals. High-resolution transmission electron microscopy and X-ray diffractometer analysis indicated that the spindle shape of TiO2 crystals was formed through the restriction of the growth of high energy {010} facets due to preferential adsorption of cellulose on these facets. Because of the 3D structure of the composite, the large aspect ratio of the TiO2 nanospindles, and the exposed high-energy {010} facets of the TiO2 crystals, the 3D TiO2@RGO(Ce 1.7) exhibited excellent capacitive performance as an electrode material for supercapacitors, with a high specific capacitance (ca. 397 F g(-1)), a high energy density (55.7 Wh kg(-1)), and a high power density (1327 W kg(-1)) on the basis of the masses of RGO and TiO2. These levels of capacitive performance far exceed those of previously reported TiO2-based composites.

  16. Phosphorus-doped TiO2 catalysts with stable anatase-brookite biphase structure: synthesis and photocatalytic performance.

    Science.gov (United States)

    Feng, Huajun; Zhang, Min-Hong; Yu, Liya E

    2013-07-01

    Phosphorus-doped (P-doped) TiO2 catalysts with a stable anatase-brookite biphase structure were successfully synthesized by integrating ultrasonication with phosphorus doping and Pluronic P123 surfactant. The synthesized catalysts were characterized using X-ray diffraction, transmission electron microscopy, nitrogen adsorption-desorption, Fourier transform infrared, and UV-visible diffuse reflectance spectra. Ultrasonication facilitates the appearance of brookite phase. Phosphorus doping was demonstrated an effective strategy to stabilize the anatase-brookite biphase structure and inhibits undesirable grain growth. Triblock copolymer Pluronic P123 used in the reaction facilitates the formation of catalyst particles with mesoporous structure and large surface area and prevents particles from agglomeration. The low band-gap of brookite phase enables the synthesized P-doped TiO2 catalysts outperform commercial P25 TiO2 and N-doped TiO2 in the degradation of methylene blue under both solar light and visible light irradiation.

  17. Relationship between Synthesis Conditions and Photocatalytic Activity of Nanocrystalline TiO2

    Directory of Open Access Journals (Sweden)

    Yosep Han

    2012-01-01

    Full Text Available The degradation efficiency of methylene blue by TiO2 nanoparticles, which were synthesized under different synthesis conditions (i.e., molar ratio of water and titanium tetraisopropoxide (TTIP, pH, and calcination temperature in a sol-gel process, was systematically investigated. The results showed that increasing the molar ratio of water and TTIP led to the enhanced photocatalytic activity of TiO2 nanoparticles, which were likely attributed to the increased specific surface area of TiO2 nanoparticles synthesized with high molar ratio. The results were supported by the relative increase in the size of interaggregated pores of the aggregated TiO2 nanoparticles. The best photocatalytic activity of TiO2 nanoparticles was observed at acidic synthesis conditions; however, the results were not consistent with physical properties for the crystallinity and the crystallite size of TiO2 nanoparticles but rather explained by the presence of abundant hydroxyl groups and water molecules existing on the surface of TiO2 under acidic synthesis environments. Furthermore, methylene blue degradation experiments revealed that the photocatalytic activity of TiO2 nanoparticles was maximized at the calcination temperature of 700°C. The trend was likely due to the combined effect of the anatase crystallinity which showed the highest value at 700°C and the crystallite size/specific surface area which did not excessively increase up to 700°C.

  18. The effect of blood protein adsorption on cellular uptake of anatase TiO2 nanoparticles.

    Science.gov (United States)

    Allouni, Zouhir E; Gjerdet, Nils R; Cimpan, Mihaela R; Høl, Paul J

    2015-01-01

    Protein adsorption onto nanoparticles (NPs) in biological fluids has emerged as an important factor when testing biological responses to NPs, as this may influence both uptake and subsequent toxicity. The aim of the present study was to quantify the adsorption of proteins onto TiO2 NPs and to test the influence on cellular uptake. The surface composition of the particles was characterized by thermal analysis and by X-ray photoelectron spectroscopy. The adsorption of three blood proteins, ie, human serum albumin (HSA), γ-globulins (Glbs), and fibrinogen (Fib), onto three types of anatase NPs of different sizes was quantified for each protein. The concentration of the adsorbed protein was measured by ultraviolet-visible spectrophotometry using the Bradford method. The degree of cellular uptake was quantified by inductivity coupled plasma mass spectroscopy, and visualized by an ultra-high resolution imaging system. The proteins were adsorbed onto all of the anatase NPs. The quantity adsorbed increased with time and was higher for the smaller particles. Fib and Glbs showed the highest affinity to TiO2 NPs, while the lowest was seen for HSA. The adsorption of proteins affected the surface charge and the hydrodynamic diameter of the NPs in cell culture medium. The degree of particle uptake was highest in protein-free medium and in the presence HSA, followed by culture medium supplemented with Glbs, and lowest in the presence of Fib. The results indicate that the uptake of anatase NPs by fibroblasts is influenced by the identity of the adsorbed protein.

  19. Electrospun anatase-phase TiO2 nanofibers with different morphological structures and specific surface areas.

    Science.gov (United States)

    He, Guangfei; Cai, Yibing; Zhao, Yong; Wang, Xiaoxu; Lai, Chuilin; Xi, Min; Zhu, Zhengtao; Fong, Hao

    2013-05-15

    Electrospun anatase-phase TiO2 nanofibers with desired morphological structure and relatively high specific surface area are expected to outperform other nanostructures (e.g., powder and film) of TiO2 for various applications (particularly dye-sensitized solar cell and photo-catalysis). In this study, systematic investigations were carried out to prepare and characterize electrospun anatase-phase TiO2 nanofibers with different morphological structures (e.g., solid, hollow/tubular, and porous) and specific surface areas. The TiO2 nanofibers were generally prepared via electrospinning of precursor nanofibers followed by pyrolysis at 500°C. For making hollow/tubular TiO2 nanofibers, the technique of co-axial electrospinning was utilized; while for making porous TiO2 nanofibers, the etching treatment in NaOH aqueous solution was adopted. The results indicated that the hollow/tubular TiO2 nanofibers (with diameters of ~300-500 nm and wall-thickness in the range from tens of nanometers to ~200 nm) had the BET specific surface area of ~27.3 m(2)/g, which was approximately twice as that of the solid TiO2 nanofibers (~15.2 m(2)/g) with diameters of ~200-300 nm and lengths of at least tens of microns. Porous TiO2 nanofibers made from the precursor of Al2O3/TiO2 composite nanofibers had the BET specific surface area of ~106.5 m(2)/g, whereas porous TiO2 nanofibers made from the precursor of ZnO/TiO2 composite nanofibers had the highest BET specific surface area of ~148.6 m(2)/g.

  20. Synthesis of nanocrystalline TiO2 by tartarate gel method

    Indian Academy of Sciences (India)

    S R Dhage; S P Gaikwad; V Ravi

    2004-12-01

    A gel was formed when a mixture of TiOCl2 and tartaric acid was heated on a water bath. Ultrafine powders of TiO2 in the anatase phase were formed, when the gel was decomposed at 623 K and the mole ratio of tartaric acid to titanium was 2. The anatase phase was converted into rutile phase on annealing at higher temperatures, > 773 K. When initial ratio of titanium to tartaric acid was < 2, the decomposition of gel leads to the formation of mixed phases of rutile and anatase. However, pure rutile phase was not formed by the decomposition of gel for any ratio of tartaric acid and titanium. These powders were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM) and surface area measurements. The average particle size obtained for anatase phase was 3 nm whereas it was 30 nm for rutile phase. Raman scattering experiments were also performed to confirm both anatase and rutile phases.

  1. Niobium-Doped (001)-Dominated Anatase TiO2 Nanosheets as Photoelectrode for Efficient Dye-Sensitized Solar Cells.

    Science.gov (United States)

    Jiang, Lei; Sun, Lei; Yang, Dong; Zhang, Jian; Li, Ya-Juan; Zou, Kun; Deng, Wei-Qiao

    2017-03-13

    TiO2 nanocrystals with different reactive facets have attracted extensive interest since they were first synthesized. The anatase TiO2 nanocrystals with (001) or (100) dominate facets were considered to be excellent electrode materials to enhance the cell performance of dye-sensitized solar cells. However, which reactive facet presents the best surface for benefiting photovoltaic effect is still unknown. We report a systematic study of various anatase TiO2 surfaces interacting with N719 dye by means of density functional theory calculations in combination with microscopic techniques. The (001) surface interacting with N719 would have the lowest work function, leading to the best photovoltaic performances. To further increase the efficiency, Nb dopant was incorporated into the anatase TiO2 nanocrystals. Based on the theoretical prediction, we proposed and demonstrated novel Nb-doped (001)-dominated anatase TiO2 nanosheets as photoelectrode in a dye-sensitized solar cell to further enhance the open-circuit voltage. And a power conversion efficiency of 10% was achieved, which was 22% higher than that of the undoped device (P25 as an electrode).

  2. First-Principles Band Calculations on Electronic Structures of Ag-Doped Rutile and Anatase TiO2

    Institute of Scientific and Technical Information of China (English)

    HOU Xing-Gang; LIU An-Dong; HUANG Mei-Dong; LIAO Bin; WU Xiao-Ling

    2009-01-01

    The electronic structures of Ag-doped rutile and anatase TiO2 are studied by first-principles band calculations based on density funetionai theory with the full-potentiai linearized-augraented-plane-wave method.New occupied bands ore found between the band gaps of both Ag-doped rutile and anatase TiO2.The formation of these new bands Capri be explained mainly by their orbitals of Ag 4d states mixed with Ti 3d states and are supposed to contribute to their visible light absorption.

  3. Atomic Force Microscopy Studies on the Chemical Treatment of Nanocrystalline Porous TiO2 Films

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    AFM has been utilized to study the surface topography and the local conductivity of nanocrystalline TiO2 films. Improving the local conductivity by Ti(iso-C3H7O)4 treatment is characterized by quantitative analysis of the simultaneous current image. The mechanism of Ti(iso C3H7O)4 treatment is discussed.

  4. Quantum Monte Carlo study of the energetics of the rutile, anatase, brookite, and columbite TiO$_2$ polymorphs

    OpenAIRE

    Trail, John; Monserrat, Bartomeu; Ríos, Pablo López; Maezono, Ryo; Needs, Richard J.

    2016-01-01

    The relative energies of the low-pressure rutile, anatase, and brookite polymorphs and the high-pressure columbite polymorph of TiO$_2$ have been calculated as a function of temperature using the diffusion quantum Monte Carlo (DMC) method and density functional theory (DFT). The vibrational energies are found to be important on the scale of interest and significant quartic anharmonicity is found in the rutile phase. Static-lattice DFT calculations predict that anatase is lower in energy than ...

  5. Alignment of TiO2 (Anatase Crystal of Dye-Sensitized Solar Cells by External Magnetic Field

    Directory of Open Access Journals (Sweden)

    Na-Yeong Hong

    2013-01-01

    Full Text Available In this study, magnetic field (B was applied on TiO2 (anatase of dye-sensitized solar cell (DSC for alignment of crystal. Magnetic field was applied on TiO2 when deposited TiO2 on the fluorine tin oxide (FTO was dried at 373 K for crystalline orientation. And applying time of B was varied 0~25 min. Characteristics of the magnetic field applied TiO2 films were analyzed by X-ray diffraction (XRD, high resolution transmission electron microscopy (HRTEM, scanning electron microscopy (SEM, and electrochemical impedance spectroscopy (EIS. Current-voltage characteristics were also analyzed using solar simulator, and it was confirmed that the energy conversion efficiency of 41% was increased. Finally, it was identified that the magnetic field affected orientation of TiO2, resulting in the enhancement of the performance of the DSC.

  6. Anatase (101)-like Structural Model Revealed for Metastable Rutile TiO2(011) Surface.

    Science.gov (United States)

    Xu, Meiling; Shao, Sen; Gao, Bo; Lv, Jian; Li, Quan; Wang, Yanchao; Wang, Hui; Zhang, Lijun; Ma, Yanming

    2017-03-08

    Titanium dioxide has been widely used as an efficient transition metal oxide photocatalyst. However, its photocatalytic activity is limited to the ultraviolet spectrum range due to the large bandgap beyond 3 eV. Efforts to reduce the bandgap to achieve a broader spectrum range of light absorption have been successfully attempted via the experimental synthesis of dopant-free metastable surface structures of rutile-type TiO2 (011) 2 × 1. This new surface phase possesses a reduced bandgap of ∼2.1 eV, showing great potential for an excellent photocatalyst covering a wide range of visible light. There is a need to establish the atomistic structure of this metastable surface to understand the physical cause for the bandgap reduction and to improve the future design of photocatalysts. Here, we report computational investigations in an effort to unravel this surface structure via swarm structure-searching simulations. The established structure adopts the anatase (101)-like structure model, where the topmost 2-fold O atoms form a quasi-hexagonal surface pattern and bond with the unsaturated 5-fold and 4-fold Ti atoms in the next layer. The predicted anatase (101)-like surface model can naturally explain the experimental observation of the STM images, the electronic bandgap, and the oxidation state of Ti(4+). Dangling bonds on the anatase (101)-like surface are abundant making it a superior photocatalyst. First-principles molecular dynamics simulations have supported the high photocatalytic activity by showing that water and formic acid molecules dissociate spontaneously on the anatase (101)-like surface.

  7. Investigation on the sonocatalytic degradation of acid red B in the presence of nanometer TiO2 catalysts and comparison of catalytic activities of anatase and rutile TiO2 powders.

    Science.gov (United States)

    Wang, Jun; Jiang, Yuefeng; Zhang, Zhaohong; Zhang, Xiangdong; Ma, Teng; Zhang, Guan; Zhao, Gang; Zhang, Peng; Li, Ying

    2007-07-01

    Here, the nanometer anatase and rutile titanium dioxide (TiO(2)) powders were introduced to act as the sonocatalysts during the ultrasonic degradation of azo dye-acid red B which was chosen as model compound. The ultrasound of low power was used as an irradiation source to induce TiO(2) particles performing catalytic activity. It was found that the processes of sonocatalytic degradation were different between nanometer anatase TiO(2) and nanometer rutile TiO(2). For nanometer anatase TiO(2) catalyst, the acid red B was mainly oxidated by the holes on the surface of nanometer anatase TiO(2) particles, so that the decolorization and degradation happened at the same time. For the nanometer rutile TiO(2) catalyst, the acid red B was mainly oxidated by the *OH radicals from the ultrasonic cavitation, so that the decolorization of azo bond takes place primarily, and then the degradation of naphthyl ring does. The intermediates of acid red B in the presence of nanometer anatase and rutile TiO(2) powders have been monitored by UV-vis spectra and high performance liquid chromatography (HPLC), respectively. All experiments indicated that the degradation effect of acid red B in the presence of nanometer anatase TiO(2) powder was obviously better than that in the presence of nanometer rutile TiO(2) powder. Hence, the method of sonocatalytic degradation for organic pollutants in the presence of nanometer anatase TiO(2) powder is expected to be promising as an advisable choice for the treatment of organic wastewaters in future.

  8. Microstructure evolution characteristics induced by oxygen vacancy generation in anatase TiO2 based resistive switching devices

    Science.gov (United States)

    Liu, Chen; Gao, Bin; Huang, Peng; Kang, Jinfeng

    2017-03-01

    In this work, first principle calculations are employed to study the microstructure characteristics of the anatase TiO2 resistive switching material associated with the generation of oxygen vacancy (V o) based nanofilaments during the switching process. The calculations indicate that both the magnéli phase Ti4O7 and V o-defect phase of anatase TiO2 may be formed with the generation of oxygen vacancies during the forming and SET processes. Based on the calculations, a new physical insight is proposed to clarify the microstructure evolution characteristics of the anatase TiO2 resistive switching material and the correlation with resistive switching behaviors. During the forming or SET process, the anatase TiO2 is first excited to a transition state with the generation of oxygen vacancies, then fully relaxes to a stable V o-defect state. This V o-defect state may either recover to the original state with the recombination of the oxygen vacancies, which causes the reversible resistive switching behavior, or further transform to a much more stable state—the magnéli phase Ti4O7, through a phase transition process with the generation of many more oxygen vacancies. The phase transition from V o- defective anatase phase to magnéli phase Ti4O7 causes the failure of the resistive switching due to the significantly reduced possibility of the reversible phase transition from the magnéli phase to the anatase phase, compared with the possibility of the recombination from the V o-defective anatase.

  9. Electronic hole localization in rutile and anatase TiO2 - Self-interaction correction in Delta-SCF DFT

    DEFF Research Database (Denmark)

    Zawadzki, Pawel; Jacobsen, Karsten Wedel; Rossmeisl, Jan

    2011-01-01

    processes within DFT. The correction removes the non-linearity of energy for fractional excitations. We show that the self-trapped and the delocalized hole states have comparable stability in rutile TiO2 whereas in anatase the former is favoured. The theoretical prediction of the adiabatic Potential Energy...

  10. Effect of Nano-anatase TiO2 on Spectral Characterization of Photosystem Ⅱ Particles from Spinach

    Institute of Scientific and Technical Information of China (English)

    HONG Fa-shui; YANG Ping; GAO Feng-qing; LIU Chao; ZHENG Lei; YANG Fan; ZHOU Juan

    2005-01-01

    The photosystem I (PS Ⅱ) particles were purified by means of nano-anatase TiO2 treatment of spinach and studied by spectroscopy. The results show that the electron transport and the oxygen-evolving rate of PS I are accelerated after it has been treated with nano-anatase TiO2; the UV-Vis absorption spectrum of PS I particles is increased; the red shift of fluorescence emission peak of PS I is 2 nm; the peak intensity is decreased; the PS Ⅱ signal I s of low temperature electron paramagnetic resonanace(EPR) spectrum is intensified under light, and the PS I circular dichroism(CD) spectrum is similar to that of control. It is suggested that nano-anatase TiO2 might bind to the PS I reaction center complex and intensify the function of the PS I electron donor, however, nano-anatase TiO2 treatment does not change the configuration of the PS Ⅱ reaction center complex.

  11. Effects of Li+ co-doping on properties of Eu3+ activated TiO2 anatase nanoparticles

    Science.gov (United States)

    Milićević, Bojana; Đorđević, Vesna; Vuković, Katarina; Dražić, Goran; Dramićanin, Miroslav D.

    2017-10-01

    Sol-gel technique for the synthesis of anatase TiO2 at 420 °C produces nanocrystals of 10-20 nm in size with Ti4+ in crystal volume and Ti3+ at terminal planes of the crystal. The study of Li+ co-doping effects on the structure, morphology, absorption, and luminescence of Eu3+ activated TiO2 anatase nanocrystals is presented. Pure anatase structure is achieved up to 9 at.% Li, with significant improvement in crystallinity of europium doped anatase TiO2. The Li+ co-doping reduces the unit cell volume of the crystal, induces the blue shift of the absorption edge, lengthens the lifetime of Eu3+5D0 excited state, and improves the Eu3+ emission intensity up to 37.5%. Judd-Ofelt analysis of Eu3+ emission showed enhancement of quantum efficiency from 66.4% to 98.7% when TiO2:Eu3+ was co-doped with 9 at.% of Li.

  12. Combined ATR-FTIR and DFT Study of Cyclohexanone Adsorption on Hydrated TiO2 Anatase Surfaces

    NARCIS (Netherlands)

    Almeida, Ana Rita; Calatayud, Monica; Tielens, Frederik; Moulijn, Jacob A.; Mul, Guido

    2011-01-01

    The adsorption of cyclohexanone on different planes ((100), (101), and (001)) of anatase TiO2, with variable level of hydration, was evaluated by density functional theory (DFT) calculations. Surface hydration was found to affect the cyclohexanone adsorption enthalpy and the calculated infrared abso

  13. Electronic hole localization in rutile and anatase TiO2 - Self-interaction correction in Delta-SCF DFT

    DEFF Research Database (Denmark)

    Zawadzki, Pawel; Jacobsen, Karsten Wedel; Rossmeisl, Jan

    2011-01-01

    processes within DFT. The correction removes the non-linearity of energy for fractional excitations. We show that the self-trapped and the delocalized hole states have comparable stability in rutile TiO2 whereas in anatase the former is favoured. The theoretical prediction of the adiabatic Potential Energy...

  14. Nanostructured anatase TiO2 densified at high pressure as advanced visible light photocatalysts.

    Science.gov (United States)

    Carini, Giovanni; Parrino, Francesco; Palmisano, Giovanni; Scandura, Gabriele; Citro, Ilaria; Calogero, Giuseppe; Bartolotta, Antonino; Di Marco, Gaetano

    2015-09-26

    This study reports on characterization and photoactivity of nanostructured TiO2 samples, which have been permanently densified under high pressures, up to 2.1 GPa. Commercial Mirkat 211 anatase has been used as a benchmark sample, in order to investigate the effect of unidirectional high pressure on structural, optical and photocatalytic properties of TiO2. Vibrational Raman spectroscopy shows that the treatment does not cause transitions among the different crystalline phases of titanium dioxide. UV-vis diffuse reflectance spectra reveal that increasing pressure gives rise to a shift of the absorption onset towards higher wavelength enhancing the photoactivity under visible radiation. Samples are also photo-electrochemically characterized and tested in the gas phase with partial oxidation of ethanol to acetaldehyde under visible irradiation. Compaction up to 0.8 GPa depresses both the alcohol conversion and the aldehyde yield, while samples treated under higher pressures show enhanced characteristics of conversion compared to the pristine material. Moreover, promising results in the reduction of CO2 are also obtained under UV-visible radiation.

  15. DFT-based Theoretical Calculation of Nb- and W-doped Anatase TiO2

    Science.gov (United States)

    Suenaga, Takahiro; Kamisaka, Hideyuki; Nakamura, Hisao; Yamashita, Koichi

    2010-03-01

    The structure and electronic states in the Nb-doped TiO2 (TNO) and W-doped TiO2 (TWO) in anatase phase were investigated from the first-principle using DFT-based band structure method. In addition to the cases where the dopant substituting a Ti atom, cells containing a dopant (MTi; M = Nb, W) and an oxygen vacancy (VO) were calculated in order to clarify the role of the oxygen vacancy in the system. Furthermore, cells containing two dopants and an oxygen vacancy (2MTi--VO), and cells with a dopant and two oxygen vacancies (MTi--2VO) were calculated. Energetically stable structures were found among the sampled 2WTi--VO and WTi--2VO cells, while the corresponding structures in TNO did not show any significant energy stabilization. Impurity states were found in the stable 2WTi--VO and WTi--2VO structures, and an approach of the two WTi atoms was observed in the former. The present results rationalize the lower electronic conductivity of TWO than that of TNO, and suggest possible formation of complex structures consisting of the WTi dopants and the oxygen vacancies.

  16. Structural and optical properties of anatase TiO2 heteroepitaxial films prepared by MOCVD

    Science.gov (United States)

    Zhao, Wei; Feng, Xianjin; Xiao, Hongdi; Luan, Caina; Ma, Jin

    2016-11-01

    High-quality single-crystal anatase TiO2(a-TiO2) thin films have been obtained on SrTiO3 (STO) substrates using the metalorganic chemical vapor deposition (MOCVD) method. The optimal preparation process was explored. The lattice structure and epitaxial relationship were investigated by X-ray diffraction (XRD, both θ-2θ and Φ scans) and transmission electron microscopy (TEM). The results indicated that the film prepared at 550 °C with the Ti precursor molar flow rate of 4×10-7 mol/min had the best single crystalline quality, for which a clear epitaxial relationship of a-TiO2 (001)||STO (100) with a-TiO2 [100]||STO [001bar] could be inferred. The elemental composition and proportion were studied by the X-ray photoelectron spectroscopy (XPS) method, which proved the deposited film approximated stoichiometric TiO2. The samples showed high transparency of 70-80% in the visible range.

  17. Surface Complexation at the TiO(2) (anatase)/Aqueous Solution Interface: Chemisorption of Catechol.

    Science.gov (United States)

    Rodríguez; Blesa; Regazzoni

    1996-01-15

    Catechol adsorbs at the TiO(2) (anatase)/aqueous solution interface forming inner-sphere surface complexes. The UV-visible differential reflectance spectrum of surface titanium-catecholate complexes presents a band centered at 420 nm which corresponds to the ligand to metal charge transfer transition within the surface complexes. At pH values below pK(a1), the surface excess of catechol is almost insensitive toward pH and presents a Langmuirian dependence with the concentration of uncomplexed catechol. The ratio Gamma(max):N(S) (N(S) being the measured density of available OH surface groups) indicates a prevailing 1 to 2 ligand exchange adsorption stoichiometry. In the range pH >/= pK(a1), the catechol surface excess decreases markedly with increasing pH. Formation of 1 to 1 surface complexes produces an excess of negative surface charge that is revealed by the shift of the iep to lower pH values. The reported data, which are supplemented with information on the charging behavior of TiO(2) suspended in indifferent electrolyte solutions, are interpreted in terms of the multi-site surface complexation model. In this model, two types of surface OH groups are considered: identical withTiOH(1/3-) and identical withOH(1/3+). Although both surface groups undergo protonation-deprotonation reactions, only identical withTiOH(1/3-) are prone to chemisorption.

  18. Density functional theory studies on the structural and physical properties of Cu-doped anatase TiO2(101) surface

    Science.gov (United States)

    Zhang, Wei; Yin, Jiu-Ren; Tang, Xian-Qiong; Zhang, Ping; Ding, Yan-Huai

    2017-01-01

    Structure and physical properties of anatase TiO2 (101) surface doped with copper have been studied by using density functional theory. Results show that Cu@Ti and Cu@O systems behave as p and n type semiconductors, respectively. Anatase TiO2 (101) surface exhibits a blue shift in optical absorption spectra compared with pure TiO2 bulk materials. Enhanced photocatalytic activity at wavelength around 400 nm could be contributed by the change in electronic structure.

  19. Photocatalytic Oxidation of Propylene on Pd-Loaded Anatase TiO2 Nanotubes Under Visible Light Irradiation.

    Science.gov (United States)

    Li, Chen; Zong, Lanlan; Li, Qiuye; Zhang, Jiwei; Yang, Jianjun; Jin, Zhensheng

    2016-12-01

    TiO2 nanotubes attract much attention because of their high photoelectron-chemical and photocatalytic efficiency. But their large band gap leads to a low absorption of the solar light and limits the practical application. How to obtain TiO2 nanotubes without any dopant and possessing visible light response is a big challenge nowadays. Orthorhombic titanic acid nanotubes (TAN) are a special precursor of TiO2, which possess large Brunauer-Emmett-Teller (BET) surface areas and strong ion exchange and adsorption capacity. TAN can transform to a novel TiO2 with a large amount of single-electron-trapped oxygen vacancies (SETOV) during calcination, while their nanotubular structure would be destroyed, and a BET surface area would decrease remarkably. And interestingly, SETOV can lead to a visible light response for this kind of TiO2. Herein, glucose was penetrated into TAN by the vacuum inhalation method, and TAN would dehydrate to anatase TiO2, and glucose would undergo thermolysis completely in the calcination process. As a result, the pure TiO2 nanotubes with visible light response and large BET surface areas were obtained. For further improving the photocatalytic activity, Pd nanoparticles were loaded as the foreign electron traps on TiO2 nanotubes and the photocatalytic oxidation efficiency of propylene was as high as 71 % under visible light irradiation, and the photostability of the catalyst kept over 90 % after 4 cyclic tests.

  20. Anatase TiO(2) nanosheets with exposed (001) facets: improved photoelectric conversion efficiency in dye-sensitized solar cells.

    Science.gov (United States)

    Yu, Jiaguo; Fan, Jiajie; Lv, Kangle

    2010-10-01

    Dye-sensitized solar cells (DSSCs) are fabricated based on anatase TiO(2) nanosheets (TiO(2)-NSs) with exposed {001} facets, which were obtained by a simple one-pot hydrothermal route using HF as a morphology controlling agent and Ti(OC(4)H(9))(4) as precursor. The prepared samples were characterized by scanning electron microscopy, transmission electron microscopy, X-ray diffraction, X-ray photoelectron spectroscopy, UV-vis absorption spectroscopy and N(2) adsorption-desorption isotherms. The photoelectric conversion performances of TiO(2)-NSs solar cells are also compared with TiO(2) nanoparticles (TiO(2)-NPs) and commercial-grade Degussa P25 TiO(2) nanoparticle (P25) solar cells at the same film thickness, and their photoelectric conversion efficiencies (η) are 4.56, 4.24 and 3.64%, respectively. The enhanced performance of the TiO(2)-NS solar cell is due to their good crystallization, high pore volume, large particle size and enhanced light scattering. The prepared TiO(2) nanosheet film electrode should also find wide-ranging potential applications in various fields including photocatalysis, catalysis, electrochemistry, separation, purification and so on.

  1. Anatase TiO2 nanosheets with exposed (001) facets: improved photoelectric conversion efficiency in dye-sensitized solar cells

    Science.gov (United States)

    Yu, Jiaguo; Fan, Jiajie; Lv, Kangle

    2010-10-01

    Dye-sensitized solar cells (DSSCs) are fabricated based on anatase TiO2 nanosheets (TiO2-NSs) with exposed {001} facets, which were obtained by a simple one-pot hydrothermal route using HF as a morphology controlling agent and Ti(OC4H9)4 as precursor. The prepared samples were characterized by scanning electron microscopy, transmission electron microscopy, X-ray diffraction, X-ray photoelectron spectroscopy, UV-vis absorption spectroscopy and N2 adsorption-desorption isotherms. The photoelectric conversion performances of TiO2-NSs solar cells are also compared with TiO2 nanoparticles (TiO2-NPs) and commercial-grade Degussa P25 TiO2 nanoparticle (P25) solar cells at the same film thickness, and their photoelectric conversion efficiencies (η) are 4.56, 4.24 and 3.64%, respectively. The enhanced performance of the TiO2-NS solar cell is due to their good crystallization, high pore volume, large particle size and enhanced light scattering. The prepared TiO2 nanosheet film electrode should also find wide-ranging potential applications in various fields including photocatalysis, catalysis, electrochemistry, separation, purification and so on.

  2. Dissimilar anisotropy of electron versus hole bulk transport in anatase TiO2: Implications for photocatalysis

    Science.gov (United States)

    Kim, Donghun; Yeo, Byung Chul; Shin, Dongbin; Choi, Heechae; Kim, Seungchul; Park, Noejung; Han, Sang Soo

    2017-01-01

    Recent studies on crystal facet manipulation of anatase TiO2 in photocatalysis have revealed that reduction and oxidation reactions preferably occur on (100)/(101) and (001) facets, respectively; however, a fundamental understanding of their origin is lacking. Here, as a result of first-principles calculations, we suggest that a dissimilar trend in the anisotropy of electron vs hole bulk transport in anatase TiO2 can be a dominant underlying mechanism for the difference in photochemical activity. Photoexcited electrons and holes are driven to different facets, i.e., electrons on (100)/(101) and holes on (001), leading to the observed preference for either reduction or oxidation. This trend of electrons vs holes found in pure TiO2 applies even for cases where a variety of dopants or defects is introduced.

  3. Photoinduced hydroxyl radical and photocatalytic activity of samarium-doped TiO(2) nanocrystalline.

    Science.gov (United States)

    Xiao, Qi; Si, Zhichun; Zhang, Jiang; Xiao, Chong; Tan, Xiaoke

    2008-01-15

    Sm(3+)-doped TiO(2) nanocrystalline has been prepared by sol-gel auto-combustion technique and characterized by X-ray diffraction (XRD), Brunauer-Emmett-Teller (BET) method, and also UV-vis diffuse reflectance spectroscopy (DRS). These Sm(3+)-doped TiO(2) samples were tested for methylene blue (MB) decomposition and *OH radical formation. The analysis of *OH radical formation on the sample surface under UV irradiation was performed by fluorescence technique with using terephthalic acid, which readily reacted with *OH radical to produce highly fluorescent product, 2-hydroxyterephthalic acid. It was observed that the presence of Sm(3+) ion as a dopant significantly enhanced the photocatalytic activity for MB degradation under UV light irradiation because both the larger specific surface area and the greater the formation rate of *OH radical were simultaneously obtained for Sm(3+)-doped TiO(2) nanocrystalline. The adsorption experimental demonstrated that Sm(3+)-TiO(2) had a higher MB adsorption capacity than undoped TiO(2) and the adsorption capacity of MB increased with the increase of samarium ion content. The results also indicated that the greater the formation rate of *OH radical was, the higher photocatalytic activity was achieved. In this study, the optimum amount of Sm(3+) doping was 0.5 mol%, at which the recombination of photo-induced electrons and holes could be effectively inhibited, the highest formation rate of *OH radicals was, and thereby the highest photocatalytic activity was achieved.

  4. Anatase TiO2 nanotube powder film with high crystallinity for enhanced photocatalytic performance

    Science.gov (United States)

    Lin, Jia; Liu, Xiaolin; Zhu, Shu; Liu, Yongsheng; Chen, Xianfeng

    2015-03-01

    We report on the synthesis of TiO2 nanotube (NT) powders using anodic oxidation and ultrasonication. Compared to free-standing NT array films, the powder-type NTs can be easily fabricated in a cost-effective way. Particularly, without the substrate effect arising from underlying Ti metals, highly crystallized NT powders with intact tube structures and pure anatase phase can be obtained using high-temperature heat treatment. The application of NTs with different crystallinity for the photocatalytic decomposition of methylene blue (MB) was then demonstrated. The results showed that with increasing annealing temperature, the photocatalytic decomposition rate was gradually enhanced, and the NT powder electrode annealed at 650°C showed the highest photoactivity. Compared to typical NTs annealed at 450°C, the rate constant increased by 2.7-fold, although the surface area was 21% lower. These findings indicate that the better photocatalytic activity was due to the significantly improved crystallinity of anatase anodic NTs in powder form, resulting in a low density of crystalline defects. This simple and efficient approach is applicable for scaled-up water purification and other light utilization applications.

  5. Distinctive toxicity of TiO2 rutile/anatase mixed phase nanoparticles on Caco-2 cells.

    Science.gov (United States)

    Gerloff, Kirsten; Fenoglio, Ivana; Carella, Emanuele; Kolling, Julia; Albrecht, Catrin; Boots, Agnes W; Förster, Irmgard; Schins, Roel P F

    2012-03-19

    Titanium dioxide has a long-standing use as a food additive. Micrometric powders are, e.g., applied as whiteners in confectionary or dairy products. Possible hazards of ingested nanometric TiO(2) particles for humans and the potential influence of varying specific surface area (SSA) are currently under discussion. Five TiO(2)-samples were analyzed for purity, crystallinity, primary particle size, SSA, ζ potential, and aggregation/agglomeration. Their potential to induce cytotoxicity, oxidative stress, and DNA damage was evaluated in human intestinal Caco-2 cells. Only anatase-rutile containing samples, in contrast to the pure anatase samples, induced significant LDH leakage or mild DNA damage (Fpg-comet assay). Evaluation of the metabolic competence of the cells (WST-1 assay) revealed a highly significant correlation between the SSA of the anatase samples and cytotoxicity. The anatase/rutile samples showed higher toxicity per unit surface area than the pure anatase powders. However, none of the samples affected cellular markers of oxidative stress. Our findings suggest that both SSA and crystallinity are critical determinants of TiO(2)-toxicity toward intestinal cells.

  6. Comparison between P25 and anatase-based TiO2 quasi-solid state dye sensitized solar cells

    Institute of Scientific and Technical Information of China (English)

    LUO Fen; WANG LiDuo; QIU Yong

    2008-01-01

    Pure anatase TiO2 films have been made via hydration of titanium isopropoxide using a sol-gel tech-nique, while mixed TiO2 films which contained both anatase and rutile TiO2 were made from commercial P25 powder. Quasi-solid state dye-sensitized solar cells were fabricated with these two kinds of mesoporous films and a comparison study was carried out. The result showed that the open-circuit photovoltages (Voc) for both kinds of cells were essentially the same, whereas the short-circuit photo-currents (Isc) of the anatase-based cells were about 33% higher than that of the P25-based cells. The highest photocurrent intensity of the anatase-based cell was 6.12 mA/cm2 and that of the P25-based cell was 4.60 mA/cm2. Under an illumination with the light intensity of 30 mW/cm2, the corresponding en-ergy conversion efficiencywas measured to be 7.07% and 6.89% for anatase-based cells and P25-based cells, respectively.

  7. Uniform Gold Nanoparticles Decorated {001}-Faceted Anatase TiO2 Nanosheets for Enhanced Solar Light Photocatalytic Reactions.

    Science.gov (United States)

    Shi, Huimin; Zhang, Shi; Zhu, Xupeng; Liu, Yu; Wang, Tao; Jiang, Tian; Zhang, Guanhua; Duan, Huigao

    2017-10-09

    The {001}-faceted anatase TiO2 micro/nanocrystals have been widely investigated for enhancing the photocatalysis and photoelectrochemical performance of TiO2 nanostructures but their practical applications still require improved energy conversion efficiency under solar light and enhanced cycling stability. In this work, we demonstrate the controlled growth of ultrathin {001}-faceted anatase TiO2 nanosheets on flexible carbon cloth for enhancing the cycling stability, and the solar light photocatalytic performance of the synthesized TiO2 nanosheets can be significantly improved by decorating with vapor-phase deposited uniformly-distributed plasmonic gold nanoparticles. The fabricated Au-TiO2 hybrid system shows an eight-fold solar light photocatalysis enhancement factor in photo-degrading Rhodamine B, a high photocurrent density of 300 μA cm-2 under the illumination of AM 1.5G, and 100% recyclability under consecutive long-term cycling measurement. Combined with electromagnetic simulations and systematic control experiments, it is believed that the tandem type separation and transition of plasmon-induced hot electrons from Au nanoparticles to {001} facet of anatase TiO2, and then to neighboring {101} facet is responsible to the enhanced solar light photochemical performance of the hybrid system. The Au-TiO2 nanosheet system well addresses the problems of limited solar-light response of anatase TiO2 and fast recombination of photo-generated electron-hole pairs, representing a promising high-performance recyclable solar light responded system for practical photocatalytic reactions.

  8. Two phase morphology limits lithium diffusion in TiO(2)(anatase): a (7)Li MAS NMR study.

    Science.gov (United States)

    Wagemaker, M; van de Krol, R; Kentgens, A P; van Well, A A; Mulder, F M

    2001-11-21

    7Li magic angle spinning solid-state nuclear magnetic resonance is applied to investigate the lithium local environment and lithium ion mobility in tetragonal anatase TiO(2) and orthorhombic lithium titanate Li(0.6)TiO(2). Upon lithium insertion, an increasing fraction of the material changes its crystallographic structure from anatase TiO(2) to lithium titanate Li(0.6)TiO(2). Phase separation occurs, and as a result, the Li-rich lithium titanate phase is coexisting with the Li-poor TiO(2) phase containing only small Li amounts approximately equal to 0.01. In both the anatase and the lithium titanate lattice, Li is found to be hopping over the available sites with activation energies of 0.2 and 0.09 eV, respectively. This leads to rapid microscopic diffusion rates at room temperature (D(micr) = 4.7 x 10(-12) cm(2)s(-1) in anatase and D(micr) = 1.3 x 10(-11) cm(2)s(-1) in lithium titanate). However, macroscopic intercalation data show activation energies of approximately 0.5 eV and smaller diffusion coefficients. We suggest that the diffusion through the phase boundary is determining the activation energy of the overall diffusion and the overall diffusion rate itself. The chemical shift of lithium in anatase is independent of temperature up to approximately 250 K but decreases at higher temperatures, reflecting a change in the 3d conduction electron densities. The Li mobility becomes prominent from this same temperature showing that such electronic effects possibly facilitate the mobility.

  9. Highly efficient cyanine dyes used for nanocrystalline TiO2 electrode sensitization

    Science.gov (United States)

    Meng, Fanshun; Ren, Yanjie; Gao, Enqin; Cai, Shengmin; Chen, Kongchang; Tian, He

    2002-02-01

    With the development made by Graetzel et al on solar cell, the studies on dye-sensitized nanocrystalline TiO2 solar cell have been widely investigated. Here we synthesized four cyanine dyes containing carboxyl group. The absorption spectra and fluorescent spectra of the dyes in solution and in adsorbed state on the surface semiconductor were measured. These dyes have high absorption coefficient (~10 5M-1 cm-1), which is a major factor that affects the conversion efficiency of the solar cell. These cyanine dyes were used to sensitize nanocrystalline TiO2, and the photoelectrochemical properties of the electrodes sensitized by these cyanine dyes were measured. From the absorption spectra of the electrode it can be seen that these dyes have been efficiently adsorbed on nanocrystalline TiO2. The maximum IPCE values of dye CY-1, CY-2, CY-3 and CY-4 were 42%, 51.8%, 75.9% and 22.2% respectively. The results show that cyanine dye derivatives are promising sensitizers for nanocrystalline solar cell.

  10. Effect of anatase TiO2 nanoparticles on the growth of RSC-364 rat synovial cell.

    Science.gov (United States)

    Wang, Jiangxue; Ma, Jiawei; Dong, Linmeng; Hou, Ying; Jia, Xiaoling; Niu, Xufeng; Fan, Yubo

    2013-06-01

    Nanoscale materials (such as TiO2, hydroxyapatite nanoparticles) have gained much concern in the coating of implants for cell adhesion and growth to improve the osteoconductivity. However, due to attrition and corrosion, the wear particles would be generated from the joint in living organism, and influence the physiological function of synovial membranes in joint cavity. In this study, the potential cytotoxicity of anatase TiO2 nanoparticles (TiO2 NPs) on rat synovial cell line 364 (RSC-364) was investigated. After treatment with different concentrations of TiO2 NPs (0, 3, 30, 300 microg/ml), the viability of RSC-364 cells were decreased in a dose-dependent manner. TiO2 NPs exposure could disrupt the integrity of cell plasma membrane, leading to the increased leakage of lactate dehydrogenase (LDH) into the culture medium. TiO2 NPs were uptaken by RSC-364 cells. The ultrastructure of RSC-364 cells was changed such as nuclear shrinkage and mitochondrial swelling. The reactive oxygen species (ROS) was over-produced especially in the cells exposed to 30 and 300 microg/ml TiO2 NPs. The activities of endogeneous antioxidant enzymes, superoxide dismutase (SOD) and catalase (CAT), were significantly decreased. The increased lipid peroxidation product (malondialdehyde, MDA) suggests the oxidative damage in cells. The flow cytometry detected that the cell cycle was blocked in G0/G1 phase, inhibiting the cell proliferation. These preliminary results indicate the oxidative stress injury and cytotoxicity of anatase TiO2 NPs on rat synovial cells. The reasonable and safe application of nanomaterials in artificial implants needs further study.

  11. Cytotoxicity Evaluation of Anatase and Rutile TiO2 Thin Films on CHO-K1 Cells in Vitro

    Directory of Open Access Journals (Sweden)

    Blanca Cervantes

    2016-07-01

    Full Text Available Cytotoxicity of titanium dioxide (TiO2 thin films on Chinese hamster ovary (CHO-K1 cells was evaluated after 24, 48 and 72 h of culture. The TiO2 thin films were deposited using direct current magnetron sputtering. These films were post-deposition annealed at different temperatures (300, 500 and 800 °C toward the anatase to rutile phase transformation. The root-mean-square (RMS surface roughness of TiO2 films went from 2.8 to 8.08 nm when the annealing temperature was increased from 300 to 800 °C. Field emission scanning electron microscopy (FESEM results showed that the TiO2 films’ thickness values fell within the nanometer range (290–310 nm. Based on the results of the tetrazolium dye and trypan blue assays, we found that TiO2 thin films showed no cytotoxicity after the aforementioned culture times at which cell viability was greater than 98%. Independently of the annealing temperature of the TiO2 thin films, the number of CHO-K1 cells on the control substrate and on all TiO2 thin films was greater after 48 or 72 h than it was after 24 h; the highest cell survival rate was observed in TiO2 films annealed at 800 °C. These results indicate that TiO2 thin films do not affect mitochondrial function and proliferation of CHO-K1 cells, and back up the use of TiO2 thin films in biomedical science.

  12. Synergistic effect between anatase and rutile TiO2 nanoparticles in dye-sensitized solar cells.

    Science.gov (United States)

    Li, Gonghu; Richter, Christiaan P; Milot, Rebecca L; Cai, Lawrence; Schmuttenmaer, Charles A; Crabtree, Robert H; Brudvig, Gary W; Batista, Victor S

    2009-12-01

    A synergistic effect between anatase and rutile TiO2 is known, in which the addition of rutile can remarkably enhance the photocatalytic activity of anatase in the degradation of organic contaminants. In this study, mixed-phase TiO2 nanocomposites consisting of anatase and rutile nanoparticles (NPs) were prepared for use as photoanodes in dye-sensitized solar cells (DSSCs) and were characterized by using UV-vis spectroscopy, powder X-ray diffraction and scanning electron microscopy. The addition of 10-15% rutile significantly improved light harvesting and the overall solar conversion efficiency of anatase NPs in DSSCs. The underlying mechanism for the synergistic effect in DSSCs is now explored by using time-resolved terahertz spectroscopy. It is clearly demonstrated that photo-excited electrons injected into the rutile NPs can migrate to the conduction band of anatase NPs, enhancing the photocurrent and efficiency. Interfacial electron transfer from rutile to anatase, similar to that in heterogeneous photocatalysis, is proposed to account for the synergistic effect in DSSCs. Our results further suggest that the synergistic effect can be used to explain the beneficial effect of TiCl4 treatment on DSSC efficiency.

  13. Preparation of anatase TiO2 thin film by low temperature annealing as an electron transport layer in inverted polymer solar cells

    Science.gov (United States)

    Noh, Hongche; Oh, Seong-Geun; Im, Seung Soon

    2015-04-01

    To prepare the anatase TiO2 thin films on ITO glass, amorphous TiO2 colloidal solution was synthesized through the simple sol-gel method by using titanium (IV) isopropoxide as a precursor. This amorphous TiO2 colloidal solution was spread on ITO glass by spin-coating, then treated at 450 °C to obtain anatase TiO2 film (for device A). For other TiO2 films, amorphous TiO2 colloidal solution was treated through solvothermal process at 180 °C to obtain anatase TiO2 colloidal solution. This anatase TiO2 colloidal solution was spread on ITO glass by spin coating, and then annealed at 200 °C (for device B) and 130 °C (for device C), respectively. The average particle size of amorphous TiO2 colloidal solution was about 1.0 nm and that of anatase TiO2 colloidal solution was 10 nm. The thickness of TiO2 films was about 15 nm for all cases. When inverted polymer solar cells were fabricated by using these TiO2 films as an electron transport layer, the device C showed the highest PCE (2.6%) due to the lack of defect, uniformness and high light absorbance of TiO2 films. The result of this study can be applied for the preparation of inverted polymer solar cell using TiO2 films as a buffer layer at low temperature on plastic substrate by roll-to roll process.

  14. Electronic properties of atomic layer deposition films, anatase and rutile TiO2 studied by resonant photoemission spectroscopy

    Science.gov (United States)

    Das, C.; Richter, M.; Tallarida, M.; Schmeisser, D.

    2016-07-01

    The TiO2 films are prepared by atomic layer deposition (ALD) method using titanium isopropoxide precursors at 250 °C and analyzed using resonant photoemission spectroscopy (resPES). We report on the Ti2p and O1s core levels, on the valence band (VB) spectra and x-ray absorption spectroscopy (XAS) data, and on the resonant photoelectron spectroscopy (resPES) profiles at the O1s and the Ti3p absorption edges. We determine the elemental abundance, the position of the VB maxima, the partial density of states (PDOS) in the VB and in the conduction band (CB) and collect these data in a band scheme. In addition, we analyze the band-gap states as well as the intrinsic states due to polarons and charge-transfer excitations. These states are found to cause multiple Auger decay processes upon resonant excitation. We identify several of these processes and determine their relative contribution to the Auger signal quantitatively. As our resPES data allow a quantitative analysis of these defect states, we determine the relative abundance of the PDOS in the VB and in CB and also the charge neutrality level. The anatase and rutile polymorphs of TiO2 are analyzed in the same way as the TiO2 ALD layer. The electronic properties of the TiO2 ALD layer are compared with the anatase and rutile polymorphs of TiO2. In our comparative study, we find that ALD has its own characteristic electronic structure that is distinct from that of anatase and rutile. However, many details of the electronic structure are comparable and we benefit from our spectroscopic data and our careful analysis to find these differences. These can be attributed to a stronger hybridization of the O2p and Ti3d4s states for the ALD films when compared to the anatase and rutile polymorphs.

  15. Gold nanoparticles located at the interface of anatase/rutile TiO2 particles as active plasmonic photocatalysts for aerobic oxidation.

    Science.gov (United States)

    Tsukamoto, Daijiro; Shiraishi, Yasuhiro; Sugano, Yoshitsune; Ichikawa, Satoshi; Tanaka, Shunsuke; Hirai, Takayuki

    2012-04-11

    Visible-light irradiation (λ > 450 nm) of gold nanoparticles loaded on a mixture of anatase/rutile TiO(2) particles (Degussa, P25) promotes efficient aerobic oxidation at room temperature. The photocatalytic activity critically depends on the catalyst architecture: Au particles with anatase/rutile TiO(2) particles behave as the active sites for reaction. This photocatalysis is promoted via plasmon activation of the Au particles by visible light followed by consecutive electron transfer in the Au/rutile/anatase contact site. The activated Au particles transfer their conduction electrons to rutile and then to adjacent anatase TiO(2). This catalyzes the oxidation of substrates by the positively charged Au particles along with reduction of O(2) by the conduction band electrons on the surface of anatase TiO(2). This plasmonic photocatalysis is successfully promoted by sunlight exposure and enables efficient and selective aerobic oxidation of alcohols at ambient temperature.

  16. Synthesis, Characterization, and Photocatalysis of Well-Dispersible Phase-Pure Anatase TiO2 Nanoparticles

    Directory of Open Access Journals (Sweden)

    Xiuzhen Wei

    2013-01-01

    Full Text Available High-purity anatase TiO2 nanoparticles were prepared using an improved sol-hydrothermal method. The as-prepared sample was characterized by X-ray diffraction (XRD, transmission electron microscopy (TEM, Brunauer-Emmett-Teller (BET, and UV-vis diffuse reflectance spectra. TEM results showed that the average particle size of all TiO2 particles was calculated to be (10 ± 1 nm. The XRD analysis indicated that the present sample was fully crystallized and appeared to be highly phase-pure anatase. The BET analysis showed that the as-prepared sample had a very large specific surface area of 186.25 m2/g. The photocatalytic performance of TiO2 nanoparticles was evaluated by photocatalytic degradation of X-3B and X-BR solutions. The degradation results revealed that the as-prepared TiO2 showed slightly higher photocatalytic activities than P25. Whereas, the as-synthesized TiO2 can settle down and be separated easily after the photocatalytic reaction finishes.

  17. Low-Temperature Synthesis of Anatase TiO2 Nanoparticles with Tunable Surface Charges for Enhancing Photocatalytic Activity

    Science.gov (United States)

    Li, Ye; Qin, Zhenping; Guo, Hongxia; Yang, Hanxiao; Zhang, Guojun; Ji, Shulan; Zeng, Tingying

    2014-01-01

    In this work, the positively or negatively charged anatase TiO2 nanoparticles were synthesized via a low temperature precipitation-peptization process (LTPPP) in the presence of poly(ethyleneimine) (PEI) and poly(sodium4- styrenesulfonate) (PSS). X-ray diffraction (XRD) pattern and high-resolution transmission electron microscope (HRTEM) confirmed the anatase crystalline phase. The charges of the prepared TiO2, PEI-TiO2 and PSS-TiO2 nanoparticles were investigated by zeta potentials. The results showed that the zeta potentials of PEI-TiO2 nanoparticles can be tuned from +39.47 mV to +95.46 mV, and that of PSS-TiO2 nanoparticles can be adjusted from −56.63 mV to −119.32 mV. In comparison with TiO2, PSS-TiO2 exhibited dramatic adsorption and degradation of dye molecules, while the PEI modified TiO2 nanoparticles showed lower photocatalytic activity. The photocatalytic performances of these charged nanoparticles were elucidated by the results of UV-vis diffuse reflectance spectra (DRS) and the photoluminescence (PL) spectra, which indicated that the PSS-TiO2 nanoparticles showed a lower recombination rate of electron-hole pairs than TiO2 and PEI-TiO2. PMID:25506839

  18. Anatase TiO2@C composites with porous structure as an advanced anode material for Na ion batteries

    Science.gov (United States)

    Shi, Xiaodong; Zhang, Zhian; Du, Ke; Lai, Yanqing; Fang, Jing; Li, Jie

    2016-10-01

    In this paper, we propose a facile strategy to synthesize the porous structure TiO2@C composites through a two-step method, in which the precursor of MIL-125(Ti) was firstly prepared by solvent thermal method and then calcined under inert atmosphere. When employed as anodes for Na ion batteries, TiO2@C composites can exhibit a superior cyclability with a reversible sodium storage capacity of 148 mAh g-1 at the current density 0.5 A g-1 after 500 cycles and an excellent rate performance with a capacity of 88.9 mAh g-1 even the current reached to 2.5 A g-1 due to the dispersion of anatase TiO2 throughout amorphous carbon matrix and the synergistic effect between the anatase TiO2 nanocrystals and carbon matrix, which can availably enhance the electric conductivity and alleviate the volumetric variation of TiO2 during the insertion/extraction process of Na+.

  19. Facet-dependent trapping and dynamics of excess electrons at anatase TiO2 surfaces and aqueous interfaces

    Science.gov (United States)

    Selcuk, Sencer; Selloni, Annabella

    2016-10-01

    Excess electrons from intrinsic defects, dopants and photoexcitation play a key role in many of the properties of TiO2. Understanding their behaviour is important for improving the performance of TiO2 in energy-related applications. We focus on anatase, the TiO2 polymorph most relevant in photocatalysis and solar energy conversion. Using first-principles simulations, we investigate the states and dynamics of excess electrons from different donors near the most common anatase (101) and (001) surfaces and aqueous interfaces. We find that the behaviour of excess electrons depends strongly on the exposed anatase surface, the environment and the character of the electron donor. Whereas no electron trapping is observed on the (101) surface in vacuo, an excess electron at the aqueous (101) interface can trigger water dissociation and become trapped into a stable surface Ti3+-bridging OH complex. By contrast, electrons avoid the (001) surface, indicating that oxidation reactions are favoured on this surface. Our results provide a bridge between surface science experiments and observations of crystal-face-dependent photocatalysis on anatase, and support the idea that optimization of the ratio between {101} and {001} facets could provide a way to enhance the photocatalytic activity of this material.

  20. Chemical treatments of the nanocrystalline porous TiO2 electrodes

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    Two types of nanocrystalline porous TiO2 electrodes were prepared by the hydrothermal and painting methods. The incident photon-to-current efficiency and photoelectrical conversion efficiency were both improved by chemical treatments of titanium tetrachloride and titanium isopropoxide. The surface roughness, quantities of adsorbed dye, photocurrent-voltage curves, IR spectra and UV-visible absorption spectra were measured, and the mechanism of chemical treatments was discussed.

  1. Efficient, Green Non-aqueous Microwave-assisted Synthesis of Anatase TiO2 and Pt Loaded TiO2 Nanorods with High Photocatalytic Performance

    OpenAIRE

    Emanuela Filippo; Agostina Lina Capodilupo; Claudia Carlucci; Patrizia Perulli; Francesca Conciauro; Giuseppina Anna Corrente; Barbara Federica Scremin; Giuseppe Gigli; Giuseppe Ciccarella

    2015-01-01

    A high-yield synthesis of pure anatase titania nanorods has been achieved through a nonaqueous microwave-based approach. The residual organics on nanoparticles surfaces were completely removed under ozone flow at room temperature in air. The TiO2 nanorods, with average lengths of 27.6 ± 5.8 nm and average diameters of 3.2 ± 0.4 nm, were characterized by powder X-Ray diffraction, transmission electron microscopy, selected area diffraction, BET surface area analysis and FT-IR spectroscopy. The ...

  2. Photo-induced degradation of Ru(Ⅱ) complex absorbed on anatase TiO2 thin film electrode

    Institute of Scientific and Technical Information of China (English)

    WANG DeLiang; WANG GuangLong; ZHAO JianHua; CHEN Bo

    2007-01-01

    Photo-induced degradation of a monolayer of Ru(II) complex absorbed on anatase TiO2 thin film was studied by using resonant micro-Raman spectroscopy. Under intense light radiation of a laser and in the absence of a reducing agent, the dye decomposed quickly. When the dye-sensitized TiO2 thin film electrode was covered by a reducing agent, namely the Ⅰ-/Ⅰ-3 redox couple, the photo-induced decomposing rate was slowed by a factor of ~106. In both cases, the dye decomposed with time under an exponential law.

  3. Effect of different parameters on sonochemical synthesized nanocrystalline TiO2 particles

    Directory of Open Access Journals (Sweden)

    Abedini Reza

    2012-01-01

    Full Text Available An ultrasonic-assisted method to directly prepare nanocrystalline TiO2 has been used. TiO2 was synthesized by the hydrolysis of Tetraisopropyl titanate (TIPT in the presence of de-ionized water and ethanol under high-intensity ultrasonic irradiation (24 KHz, 300 W/cm2 at different conditions. The effect of water content, water-to-TIPT ratio, water-to-ethanol ratio and sonication time on the particle size of TiO2 has been investigated by using design of experiment (DOE. The water content, water-to-TIPT ratio, water-to-ethanol ratio and sonication time were varied in the range 100-150 ml, 50-75 v/v, 20-30 v/v and 3-4 hr, respectively. Particle size of TiO2 was characterized using particle size analyzer. The results of DOE show that water content has the greatest effect on the particle size of TiO2.

  4. The effect of Ta dopant on the electronic and optical properties of anatase TiO2: a first-principles study

    Science.gov (United States)

    Muhammady, Shibghatullah; Nurfani, Eka; Kurniawan, Robi; Magdalena Sutjahja, Inge; Winata, Toto; Darma, Yudi

    2017-02-01

    We study the electronic and optical properties of pure and Ta-doped anatase TiO2 structures using a plane-wave-based first-principles calculation. The pure anatase TiO2 has an indirect band gap of 2.76 eV, while the Ta-doped anatase TiO2 is a metal. Zero-energy dielectric constants of 4.02 and 3.48 were found for E || a and E || c, respectively, in the pure anatase TiO2. Based on the calculated imaginary parts of the dielectric function (ε 2), the pure anatase TiO2 has anisotropic interband transition edges of 2.75 eV and 3.55 eV for E || a and E || c respectively, which show an optical dichroism. The Ta-doped anatase TiO2 is found to have metallic behaviour, which is clearly observable through the significantly high electronic absorption in ε 2 at the zero energy level. However, the Ta-doped TiO2 also shows anisotropic interband transition edges of 2.55 eV and 3.45 eV for E || a and E || c, respectively, based on ε 2. Based on these results, Ta dopant plays an important role for the semiconductor-to-metallic transformation in anatase TiO2. At the same time, Ta dopant also promotes the red-shift of the interband transition edges and enhances the dichroism. This study presents the significant modification in the optical properties of anatase TiO2 due to the presence of Ta dopant based on the dielectric functions.

  5. Boron-Doped Anatase TiO2 as a High-Performance Anode Material for Sodium-Ion Batteries.

    Science.gov (United States)

    Wang, Baofeng; Zhao, Fei; Du, Guodong; Porter, Spencer; Liu, Yong; Zhang, Peng; Cheng, Zhenxiang; Liu, Hua Kun; Huang, Zhenguo

    2016-06-29

    Pristine and boron-doped anatase TiO2 were prepared via a facile sol-gel method and the hydrothermal method for application as anode materials in sodium-ion batteries (SIBs). The sol-gel method leads to agglomerated TiO2, whereas the hydrothermal method is conducive to the formation of highly crystalline and discrete nanoparticles. The structure, morphology, and electrochemical properties were studied. The crystal size of TiO2 with boron doping is smaller than that of the nondoped crystals, which indicates that the addition of boron can inhibit the crystal growth. The electrochemical measurements demonstrated that the reversible capacity of the B-doped TiO2 is higher than that for the pristine sample. B-doping also effectively enhances the rate performance. The capacity of the B-doped TiO2 could reach 150 mAh/g at the high current rate of 2C and the capacity decay is only about 8 mAh/g over 400 cycles. The remarkable performance could be attributed to the lattice expansion resulting from B doping and the shortened Li(+) diffusion distance due to the nanosize. These results indicate that B-doped TiO2 can be a good candidate for SIBs.

  6. The Photocatalytic Reduction of Hexavalent Chromium by Controllable Mesoporous Anatase TiO2 Nanoparticles

    Directory of Open Access Journals (Sweden)

    Vorrada Loryuenyong

    2014-01-01

    Full Text Available Titania (TiO2 nanoparticles with periodical mesopore size (up to 150 Å have successfully been synthesized by sol-gel template method, using titanium(IV tetraisopropoxide as a starting precursor and isopropanol as a solvent. Different quantities of activated carbon (0%, 5%, and 10% by weight were used as templates to control the porosity and particle size of titania nanoparticles. The templates were completely removed during the calcination in air at 500°C for 3 hr. The results showed that the specific surface area of titania is increased with increasing activated carbon content. The optical bandgap of synthesized titania exhibits a blue shift by 0.3–0.6 eV when compared to the reported value for the bulk anatase and rutile phases. The photocatalytic activity of porous titania is determined with its reduction efficiency of hexavalent chromium (Cr6+. The reduction efficiency is optimized under ultraviolet illumination.

  7. Nano-Anatase TiO2 for High Performance Optical Humidity Sensing on Chip

    Directory of Open Access Journals (Sweden)

    Mahdiar Ghadiry

    2015-12-01

    Full Text Available An on-chip optical humidity sensor using Nano-anatase TiO2 coating is presented here. The coating material was prepared so that the result is in solution form, making the fabrication process quick and simple. Then, the solution was effortlessly spin-coated on an SU8 straight channel waveguide. Investigating the sensitivity and performance (response time of the device revealed a great linearity in the wide range (35% to 98% of relative humidity (RH. In addition, a variation of more than 14 dB in transmitted optical power was observed, with a response time of only ~0.7 s. The effect of coating concentration and UV treatment was examined on the performance and repeatability of the sensor. Interesting observations were found, and the attributed mechanisms were described. In addition, the proposed sensor was extensively compared with other state-of-the-art proposed counterparts from the literature and remarkable advantages were found. Since a high sensitivity of ~0.21 dB/%RH and high dynamic performances were demonstrated, this sensor is proposed for use in biomedical applications.

  8. Investigation of curcumin as sensitizer for anatase TiO2 nanoparticles in photodegradation of of phenazopyridine with visible light

    Directory of Open Access Journals (Sweden)

    ZYOUD Ahed H.

    2014-11-01

    Full Text Available This work describes a photodegradation catalyst, for water organic contaminants in visible light, based on curcumin (a natural dye sensitized TiO2 (anatase nanoparticles. Phenazopyridine (a pharmaceutically active gradient was used as a contaminant. A 400 nm, and shorter, cut of filter was used to confirm only visible light was used in photodegradation process with no UV radiation. The catalyst system was characterized by electronic absorption spectroscopy and XRD. The particle size forthe catalyst nanaprticles was calculated using Scherrer equation and found to be ~45 nm in average. Different reaction parameters were studied, such as effect of contaminant concentration, amount of loaded catalyst, and pH value on the photodegradation rate. Turn number (T.N. and quantum yield (Q.Y. values were calculated for comparative assessment of the catalyst effeciency. The results show the ability of curcumin dyes to sensitize TiO2 anatase nanoparticles in photodegradation phenazopyridine under visible radiation.

  9. Investigation of curcumin as sensitizer for anatase TiO2 nanoparticles in photodegradation of of phenazopyridine with visible light

    OpenAIRE

    ZYOUD Ahed H.; Hilal, Hikmat S.

    2014-01-01

    This work describes a photodegradation catalyst, for water organic contaminants in visible light, based on curcumin (a natural dye) sensitized TiO2 (anatase) nanoparticles. Phenazopyridine (a pharmaceutically active gradient) was used as a contaminant. A 400 nm, and shorter, cut of filter was used to confirm only visible light was used in photodegradation process with no UV radiation. The catalyst system was characterized by electronic absorption spectroscopy and XRD. The particle...

  10. Enhanced electrorheological performance and antisedimentation property of mesoporous anatase TiO2 shell prepared by hydrothermal process

    Science.gov (United States)

    Wang, Jiahui; Chen, Guowei; Yin, Jianbo; Luo, Chunrong; Zhao, Xiaopeng

    2017-03-01

    Mesoporous anatase TiO2 hollow microspheres (MTHMs) with a high surface area (231.1 m2 g‑1) were synthesized by sol-gel template-assisted approach and hydrothermal process. The materials possessed a uniform diameter of about 620 nm and a mesoporous shell with thickness of about 180 nm. The microspheres were used as dispersing materials for electrorheological (ER) fluids, which exhibited better ER performance and antisedimentation property than common anatase TiO2 hollow microspheres and ordinary anatase TiO2 particles. The yield stress of the MTHM-based ER fluid (30.0 vol%) was approximately 7.8 kPa under an electric field of 3 kV mm‑1, and the sedimentation ratio was maintained above 78% after 250 h. The good ER activity of the MTHM-based ER fluid was mainly attributed to the high surface effect provided by mesoporous and hollow structure of the MTHMs, leading to a high interfacial polarization under the action of an external electric field. The mesoporous and hollow structure also improved the antisedimentation property of the suspensions by lowering the density of microspheres.

  11. Experimental and theoretical study of the electronic properties of Cu-doped anatase TiO2.

    Science.gov (United States)

    Navas, Javier; Sánchez-Coronilla, Antonio; Aguilar, Teresa; Hernández, Norge C; de los Santos, Desireé M; Sánchez-Márquez, Jesús; Zorrilla, David; Fernández-Lorenzo, Concha; Alcántara, Rodrigo; Martín-Calleja, Joaquín

    2014-02-28

    A good correlation was obtained between the electronic properties of Cu-doped anatase TiO2 by virtue of both physical chemistry characterization and theoretical calculations. Pure and Cu-doped TiO2 were synthesized. The composition, structural and electronic properties, and the band gap energy were obtained using several techniques. The method of synthesis used produces Cu-doped anatase TiO2, and XRD, XPS and Raman spectroscopy indicate that Cu atoms are incorporated in the structure by substitution of Ti atoms, generating a distortion of the structure and oxygen vacancies. In turn, the band gap energy of the synthesized samples decrease drastically with the Cu doping. Moreover, periodic density functional theory (DFT-periodic) calculations were carried out both to model the experimentally observed doped structures and to understand theoretically the experimental structures obtained, the formation of oxygen vacancies and the values of the band gap energy. From the analysis of density of states (DOS), projected density of states (PDOS) and the electron localization function (ELF) a decrease in the band gap is predicted upon increasing the Cu doping. Thus, the inclusion of Cu in the anatase structure implies a covalent character in the Cu-O interaction, which involves the appearance of new states in the valence band maximum with a narrowing in the band gap.

  12. A floating macro/mesoporous crystalline anatase TiO2 ceramic with enhanced photocatalytic performance for recalcitrant wastewater degradation.

    Science.gov (United States)

    Xing, Zipeng; Zhou, Wei; Du, Fan; Qu, Yang; Tian, Guohui; Pan, Kai; Tian, Chungui; Fu, Honggang

    2014-01-14

    A macro/mesoporous anatase TiO2 ceramic floating photocatalyst has been successfully synthesized using highly thermally stable mesoporous TiO2 powder as a precursor, followed by a camphene-based freeze-casting process and high-temperature calcinations. The ceramics are characterized in detail by X-ray diffraction, Raman spectra, scanning electron microscopy, transmission electron microscopy and N2 adsorption-desorption isotherms. The results indicate that the TiO2 ceramics present hierarchical macro/mesoporous structures, which maintain high porosity and high compressive strength at the optimal sintering temperature of 800 °C. The ordered mesoporous TiO2 network still possesses high thermal stability and inhibits the anatase-to-rutile phase transformation during calcinations. The obtained ceramics exhibit good adsorptive and photocatalytic activity for the degradation of octane and rhodamine B, and the total organic carbon removal ratio is up to 98.8% and 98.6% after photodegradation for 3 h, respectively. The roles of active species in the photocatalytic process are compared using different types of active species scavengers, and the degradation mechanism is also proposed. Furthermore, the ceramics are recyclable, and no clear changes are observed after ten cycles. In addition, the ceramics are also active in the photodegradation of phenol, thiobencarb, and atrazine. Therefore, these novel floating photocatalysts will have wide applications, including the removal of floating organic pollutants from the wastewater surfaces or the removal of soluble organic pollutants from wastewater.

  13. Influence of anatase and rutile phase in TiO2 upon the photocatalytic degradation of methylene blue under solar irradiation in presence of activated carbon.

    Science.gov (United States)

    Matos, J; Montaña, R; Rivero, E; Escudero, A; Uzcategui, D

    2014-01-01

    The influence of activated carbon (AC) on the photocatalytic activity of different crystalline TiO2 phases was verified in the photocatalytic degradation of methylene blue under UV and solar irradiation. The results showed a volcano trend with a maximum photoactivity for the crystalline phase ratio of anatase:rutile equal to 80:20 both under UV or solar irradiation. By contrast, in presence of AC the photocatalytic activity of the binary materials of TiO2/AC followed an exponential trend, increasing as a function of the increase in anatase proportion in the TiO2 framework. The increase in the photoactivity of the binary material TiO2/AC relative to neat TiO2 was up to 22 and about 17 times higher under UV and visible irradiation, respectively. The present results suggest that AC interacts more efficiently with anatase phase than with rutile phase.

  14. Anatase TiO2 nanocrystals anchored at inside of SBA-15 mesopores and their optical behavior

    Science.gov (United States)

    Araújo, M. M.; Silva, L. K. R.; Sczancoski, J. C.; Orlandi, M. O.; Longo, E.; Santos, A. G. D.; Sá, J. L. S.; Santos, R. S.; Luz, G. E.; Cavalcante, L. S.

    2016-12-01

    In this paper, a new synthesis method was proposed to obtain anatase titanium oxide (TiO2) nanocrystals anchored into SBA-15 molecular sieve, as a matrix assigned by the in-situ anchoring (ISA) method. Pure SBA-15 and modified with TiO2 nanocrystals at different Si/Ti molar ratios (R = 75, 50, and 25) were structurally characterized by X-ray diffraction (XRD), Micro-Raman and Fourier Transform infrared (FTIR) spectroscopies. Specific surface area, pore volume and average pore diameter were estimated using both Brunauer-Emmett-Teller (BET) and Barrett-Joyner-Halenda (BJH) methods, respectively. Morphological aspects of these samples were observed by means of field emission scanning electron microscopy (FE-SEM) and transmission electron microscopy (TEM). Optical properties were investigated by ultraviolet-visible (UV-vis) diffuse reflectance spectroscopy. XRD patterns, Micro-Raman and FT-IR spectra indicate the TiO2 nanocrystals crystallized in a tetragonal structure anchored into the SBA-15 mesopores. BET and BJH methods prove a large amount of TiO2 nanocrystals were anchored inside of SBA-15 mesopores due to increase in surface area and average pore size of SBA-15 matrix. FE-SEM and TEM images showed the pure SBA-15 has an elongated hexagon-shaped microstructure, and an average size of 7.34 nm for 2D hexagonal mesopores. Moreover, ISA method was able to avoid blocking of mesopores, in addition promotes a significant increasing the impregnation rate of anatase TiO2 nanocrystals in SBA-15 matrix. A growth mechanism was proposed in order to explain the stages involved in the formation of TiO2-SBA mesoporous. UV-vis spectra revealed a dependence of the optical band gap energy (Egap) with the decreasing of Si/Ti molar ratios.

  15. The Effect of Ce-N Codoping on the Electronic Structure and Optical Property of Anatase TiO2: a First-Principles Study

    Science.gov (United States)

    Mao, Fei; Hou, Qingyu; Zhao, Chunwang; Guo, Shaoqiang; Zhang, Yue

    2014-01-01

    Based on the first-principles plane wave ultra-soft pseudo potential (USP) method of density function theory pure N and Ce doped and Ce-N codoping anatase TiO2 supercell models were established, respectively, and calculated their energy in this paper. The calculated results show that the three doping systems compared to the pure anatase TiO2 band gap narrowed which results in red-shift of the optical absorption edges and Ce-N codoped anatase TiO2 have the most obvious visible effect. Meanwhile, synergy is very effective for the separation of electron-hole pairs and the electrons have a better lifespan. Research found that the trend of the donor's movements at the shallow level of Ce-N codoped anatase TiO2 is not obvious. This is due to its very thick shell, resulting in shielding effect of the outer layer of the Ce-4f.

  16. Nanocrystalline N-Doped TiO2 Powders: Mild Hydrothermal Synthesis and Photocatalytic Degradation of Phenol under Visible Light Irradiation

    Directory of Open Access Journals (Sweden)

    Junna Xu

    2013-01-01

    Full Text Available Nitrogen-doped TiO2 powders have been prepared using technical guanidine hydrochloride, titanyl sulfate, and urea as precursors via a mild hydrothermal method under initial pressure of 3MPa, 150∘C holding for 2h without any postheat treatment for crystallization. The nanocrystalline N-doped TiO2 powders were composed of anatase TiO2 by XRD. The grain size was estimated as about 10 nm, and the BET specific surface area of the powder was measured as 154.7 m2/g. The UV-visible absorption spectra indicated that the absorption edge of the N-doped TiO2 powders had been red shifted into the visible light region. The photocatalytic performance of the synthesized powders was evaluated by degradation of phenol under visible light irradiation. And the effects of the catalyst load and the initial pH value on the photodegradation were also investigated.

  17. Surfactant-Free Solvothermal Method for Synthesis of Mesoporous Nanocrystalline TiO2 Microspheres with Tailored Pore Size

    Directory of Open Access Journals (Sweden)

    Yajing Zhang

    2013-01-01

    Full Text Available TiO2 mesoporous microspheres self-assembled from nanoparticles were synthesized by a surfactant-free solvothermal route. The TiO2 precursors were fabricated by tetrabutyl titanate, glacial acetic acid, and urea in the ethanol solution at 140°C for 20 h, and TiO2 mesoporous microspheres were obtained by a postcalcination at temperatures of 450°C for promoting TiO2 crystallization and the removal of residual organics. The phase structure, morphology, and pore nature were characterized by XRD, SEM, and nitrogen adsorption-desorption measurements. The as-prepared TiO2 microspheres are in anatase phase, with 2-3 μm in diameter, and narrow pore distribution range is 3-4 nm. The adjustments of the synthetic parameters lead to the formation of the mesoporous TiO2 microspheres with tuned pore size distributions and morphology.

  18. Kelvin probe force microscopy of nanocrystalline TiO2 photoelectrodes.

    Science.gov (United States)

    Henning, Alex; Günzburger, Gino; Jöhr, Res; Rosenwaks, Yossi; Bozic-Weber, Biljana; Housecroft, Catherine E; Constable, Edwin C; Meyer, Ernst; Glatzel, Thilo

    2013-01-01

    Dye-sensitized solar cells (DSCs) provide a promising third-generation photovoltaic concept based on the spectral sensitization of a wide-bandgap metal oxide. Although the nanocrystalline TiO2 photoelectrode of a DSC consists of sintered nanoparticles, there are few studies on the nanoscale properties. We focus on the microscopic work function and surface photovoltage (SPV) determination of TiO2 photoelectrodes using Kelvin probe force microscopy in combination with a tunable illumination system. A comparison of the surface potentials for TiO2 photoelectrodes sensitized with two different dyes, i.e., the standard dye N719 and a copper(I) bis(imine) complex, reveals an inverse orientation of the surface dipole. A higher surface potential was determined for an N719 photoelectrode. The surface potential increase due to the surface dipole correlates with a higher DSC performance. Concluding from this, microscopic surface potential variations, attributed to the complex nanostructure of the photoelectrode, influence the DSC performance. For both bare and sensitized TiO2 photoelectrodes, the measurements reveal microscopic inhomogeneities of more than 100 mV in the work function and show recombination time differences at different locations. The bandgap of 3.2 eV, determined by SPV spectroscopy, remained constant throughout the TiO2 layer. The effect of the built-in potential on the DSC performance at the TiO2/SnO2:F interface, investigated on a nanometer scale by KPFM measurements under visible light illumination, has not been resolved so far.

  19. Kelvin probe force microscopy of nanocrystalline TiO2 photoelectrodes

    Directory of Open Access Journals (Sweden)

    Alex Henning

    2013-07-01

    Full Text Available Dye-sensitized solar cells (DSCs provide a promising third-generation photovoltaic concept based on the spectral sensitization of a wide-bandgap metal oxide. Although the nanocrystalline TiO2 photoelectrode of a DSC consists of sintered nanoparticles, there are few studies on the nanoscale properties. We focus on the microscopic work function and surface photovoltage (SPV determination of TiO2 photoelectrodes using Kelvin probe force microscopy in combination with a tunable illumination system. A comparison of the surface potentials for TiO2 photoelectrodes sensitized with two different dyes, i.e., the standard dye N719 and a copper(I bis(imine complex, reveals an inverse orientation of the surface dipole. A higher surface potential was determined for an N719 photoelectrode. The surface potential increase due to the surface dipole correlates with a higher DSC performance. Concluding from this, microscopic surface potential variations, attributed to the complex nanostructure of the photoelectrode, influence the DSC performance. For both bare and sensitized TiO2 photoelectrodes, the measurements reveal microscopic inhomogeneities of more than 100 mV in the work function and show recombination time differences at different locations. The bandgap of 3.2 eV, determined by SPV spectroscopy, remained constant throughout the TiO2 layer. The effect of the built-in potential on the DSC performance at the TiO2/SnO2:F interface, investigated on a nanometer scale by KPFM measurements under visible light illumination, has not been resolved so far.

  20. Preparation of TiO2 anatase nanocrystals by TiCl4 hydrolysis with additive H2SO4.

    Directory of Open Access Journals (Sweden)

    Wenbing Li

    Full Text Available A new methodology was developed to synthesize uniform titania anatase nanocrystals by the hydrolysis of titanium chloride in sulfuric acid aqueous solutions at 0-90°C. The samples were characterized by Raman spectroscopy, UV-visible spectroscopy, transmission electron microscopy (TEM, electron diffraction (ED, and an Energy dispersive X-ray spectroscopy (EDS. The effects of the reaction temperature, mole ratio of SO(4(2- to Ti(4+, and the calcinations temperature on the particle size and crystal phase were investigated. Depending on the acidity, the hydrolysis temperature, and the calcination temperature, rhombic anatase nanocrystals sizes in the range of 10 nm to 50 nm were obtained. In the additive of sulfuric acid, Raman spectra and electron diffraction confirmed that the nanoparticles are composed of anatase TiO(2. No other titania phases, such as rutile or brookite, were detected.

  1. Dye-sensitized solar cells based on anatase TiO 2 hollow spheres/carbon nanotube composite films

    Science.gov (United States)

    Yu, Jiaguo; Fan, Jiajie; Cheng, Bei

    Dye-sensitized solar cells (DSSCs) based on anatase TiO 2 hollow spheres (TiO2HS)/multi-walled carbon nanotubes (CNT) nanocomposite films are prepared by a directly mechanical mixing and doctor blade method. The prepared samples are characterized by scanning electron microscopy, transmission electron microscopy, X-ray diffraction, UV-vis absorption spectroscopy and N 2 adsorption-desorption isotherms. The photoelectric conversion performances of the DSSCs based on TiO2HS/CNT composite film electrodes are also compared with commercial-grade Degussa P25 TiO 2 nanoparticles (P25)/CNT composite solar cells at the same film thickness. The results indicate that the photoelectric conversion efficiencies (η) of the TiO2HS/CNT composite DSSCs are dependent on CNT loading in the electrodes. A small amount of CNT clearly enhances DSSC efficiency, while excessive CNT loading significantly lowers their performance. The former is because CNT enhance the transport of electrons from the films to FTO substrates. The latter is due to high CNT loading shielding the visible light from being adsorbed by dyes.

  2. First-principles study on codoping effect to enhance photocatalytic activity of anatase TiO2

    Science.gov (United States)

    Bai, Yujie; Zhang, Qinfang; Zheng, Fubao; Yang, Yun; Meng, Qiangqiang; Zhu, Lei; Wang, Baolin

    2017-03-01

    Codopant is an effective approach to modify the bandgap and band edge positions of transition metal oxide. Here, the electronic structures as well as the optical properties of pristine, mono-doped (N/P/Sb) and codoped (Sb, N/P) anatase TiO2 have been systematically investigated based on density functional theory calculations. It is found that mono-doped TiO2 exhibits either unoccupied or partially occupied intermediate state within the energy gap, which promotes the recombination of electron-hole pairs. However, the presence of (Sb, N/P) codopant not only effectively reduces the width of bandgap by introducing delocalized occupied intermediate states, but also adjusts the band edge alignment to enhance the hydrogen evolution activity of TiO2. Moreover, the optical absorption spectrum for (Sb, N/P) codoped TiO2, which is favored under oxygen-rich condition, demonstrates the improvement of its visible light absorption. These findings will promote the potential application of (Sb, N/P) codoped TiO2 photocatalysis for water splitting under visible light irradiation.

  3. Direct formation of anatase TiO2 nanoparticles on carbon nanotubes by atomic layer deposition and their photocatalytic properties

    Science.gov (United States)

    Huang, Sheng-Hsin; Liao, Shih-Yun; Wang, Chih-Chieh; Kei, Chi-Chung; Gan, Jon-Yiew; Perng, Tsong-Pyng

    2016-10-01

    TiO2 with different morphology was deposited on acid-treated multi-walled carbon nanotubes (CNTs) by atomic layer deposition at 100 °C-300 °C to form a TiO2@CNT structure. The TiO2 fabricated at 100 °C was an amorphous film, but became crystalline anatase nanoparticles when fabricated at 200 °C and 300 °C. The saturation growth rates of TiO2 nanoparticles at 300 °C were about 1.5 and 0.4 Å/cycle for substrate-enhanced growth and linear growth processes, respectively. It was found that the rate constants for methylene blue degradation by the TiO2@CNT structure formed at 300 °C were more suitable to fit with second-order reaction. The size of 9 nm exhibited the best degradation efficiency, because of the high specific area and appropriate diffusion length for the electrons and holes.

  4. Adsorption of organic molecules on rutile TiO2 and anatase TiO2 single crystal surfaces.

    Science.gov (United States)

    Thomas, Andrew G; Syres, Karen L

    2012-06-07

    The interaction of organic molecules with titanium dioxide surfaces has been the subject of many studies over the last few decades. Numerous surface science techniques have been utilised to understand the often complex nature of these systems. The reasons for studying these systems are hugely diverse given that titanium dioxide has many technological and medical applications. Although surface science experiments investigating the adsorption of organic molecules on titanium dioxide surfaces is not a new area of research, the field continues to change and evolve as new potential applications are discovered and new techniques to study the systems are developed. This tutorial review aims to update previous reviews on the subject. It describes experimental and theoretical work on the adsorption of carboxylic acids, dye molecules, amino acids, alcohols, catechols and nitrogen containing compounds on single crystal TiO(2) surfaces.

  5. Morphology and interfacial energetics controls for hierarchical anatase/rutile TiO2 nanostructured array for efficient photoelectrochemical water splitting.

    Science.gov (United States)

    Yang, Jih-Sheng; Liao, Wen-Pin; Wu, Jih-Jen

    2013-08-14

    In this work, a three-dimensional (3D) hierarchical TiO2 nanostructured array is constructed on the basis of the considerations of morphology and interfacial energetics for photoelectrochemical water splitting. The photoelectrode is composed of a core-shell structure where the core portion is a rutile TiO2 nanodendrite (ND) array and the shell portion is rutile and anatase TiO2 nanoparticles (NPs) sequentially located on the surface. The TiO2 ND array provides a fast electron transport pathway due to its quasi-single-crystalline structure. The 3D configuration with NPs in the shell portion provides a larger surface area for more efficient photocharge separation without significantly sacrificing the electron collection efficiency. Moreover, anatase TiO2 NPs constructed on the surface of the ND/rutile TiO2 NP nanostructured array enhance charge separation and suppress charge recombination at the interfacial region due to the higher conduction band edge of anatase TiO2 compared to that of rutile TiO2. A photocurrent density and photoconversion efficiency of 2.08 mA cm(-2) at 1.23 V vs reversible hydrogen electrode (RHE) and 1.13% at 0.51 V vs RHE are, respectively, attained using the hierarchical TiO2 nanostructured array photoelectrochemical cell under illumination of AM 1.5G (100 mW cm(-2)).

  6. Morphological effects of Au13 clusters on the adsorption of CO2 over anatase TiO2(101)

    Science.gov (United States)

    Liu, Li; Liu, Zhongbo; Sun, Honggang; Zhao, Xian

    2017-03-01

    Density functional theory was employed to investigate the interaction between CO2 and anatase TiO2(101) surface in the presence of Au13 clusters. Two Au13 clusters (icosahedral and cuboctahedral) were used to identify correlations among activity, structural stability, and morphology of supported Au13 clusters on the TiO2(101) surface. The effects of oxygen vacancy were also studied. A strong morphological effect of Au13 clusters on the adsorption and activation of CO2 over anatase TiO2 (101) has been identified. The structural dynamic fluxionality of Au13 clusters, i.e., its adaptability toward the adsorbed CO2, plays an important role in the bonding and activation of CO2. The flexibility of the icosahedral Au13 cluster allows it to readjust so as to enable the maximum orbital overlap between the Au13 clusters and CO2, making the stabilization of CO2 feasible. In contrast, the cuboctahedral Au13 cluster tends to maintain its own structure even after CO2 adsorption, resulting in weaker CO2 binding strength. The presence of oxygen vacancy was found to introduce additional adsorption sites, and CO2 adsorption on defective TiO2(101) surface can be substantially modified by the presence of the cuboctahedral Au13 cluster. In addition, we find that the interfacial site is the preferred adsorption site for CO2 adsorption and activation on the Au13/TiO2(101) surface. These findings shed light on the importance of cluster dynamics during catalytic reaction and provide key guidelines for engineering more efficient metal-oxide interfaces in catalysis.

  7. Unsymmetrical extended -conjugated zinc phthalocyanine for sensitization of nanocrystalline TiO2 films

    Indian Academy of Sciences (India)

    L Giribabu; Ch Vijay Kumar; P Yella Reddy; Jun-Ho Yum; M Grätzel; Md K Nazeeruddin

    2009-01-01

    We have designed and synthesized a new unsymmetrical zinc phthalocyanine based on `push-pull’ and extended -conjugation concept, PCH008. The new sensitizer was fully characterized by CHN anlysis, UV-Vis., fluorescence spectroscopies and cyclic voltammetry. The new sensitizer which upon anchoring onto nanocrystalline TiO2 film exhibit a short circuit current of 5.63 mA cm-2, open circuit potential of 557.0 mV and a fill factor of 0.75 corresponding to an overall conversion efficiency of 2.35% under standard global air mass (AM) 1.5 solar conditions and compared its performance with literature reported phthalocyanine dyes.

  8. Surface photovoltage spectroscopy study of reduced and oxidized nanocrystalline TiO 2 films

    Science.gov (United States)

    Rothschild, A.; Levakov, A.; Shapira, Y.; Ashkenasy, N.; Komem, Y.

    2003-06-01

    Nanocrystalline TiO 2 films used for gas sensors have been studied by means of surface photovoltage spectroscopy and other analytical tools to investigate the oxygen chemisorption effect on the electrical properties of the films. The results show that the surface (and intergranular interface) band bending increases with oxygen exposure due to electron trapping at midgap states induced by chemisorption. The surface electronic structure is revealed by the measurements, allowing determination of the sensing mechanism of these important films. In addition, a photoinduced chemisorption of oxygen at room temperature is observed. This has important implications for low-temperature gas sensors.

  9. Effect of sodium on photovoltaic properties of dye-sensitized solar cells assembled with anatase TiO2 nanosheets with exposed {001} facets.

    Science.gov (United States)

    Wu, Xia; Lu, Gaoqing Max; Wang, Lianzhou

    2013-02-01

    Anatase TiO(2) nanosheets with exposed reactive {001} facets were prepared in the presence of HF. The photovoltaic properties of NaOH-washed anatase TiO(2) nanosheets with exposed {001} facets were investigated by assembling the TiO(2) as photoanodes in dye-sensitized solar cells (DSSCs). A decreased overall efficiency and increased recombination rate was observed in comparison with the H(2)O-washed counterpart by both dark current scan and open-circuit voltage decay scan, and XPS confirmed that the deleterious effect of sodium ions is responsible for this reduced efficiency in DSSCs.

  10. Hunting for the elusive shallow traps in TiO2 anatase.

    Science.gov (United States)

    Antila, Liisa J; Santomauro, Fabio G; Hammarström, Leif; Fernandes, Daniel L A; Sá, Jacinto

    2015-07-11

    Understanding electron mobility on TiO2 is crucial because of its applications in photocatalysis and solar cells. This work shows that shallow traps believed to be involved in electron migration in TiO2 conduction band are formed upon band gap excitation, i.e., are not pre-existing states. The shallow traps in TiO2 results from large polarons and are not restricted to surface.

  11. Effects of V heavy doping on the magnetic and optical properties in anatase TiO2

    Science.gov (United States)

    Hou, Qingyu; Zhao, Chunwang; Qu, Lingfeng

    2017-01-01

    A half-metal diluted magnetic semiconductor (DMS) can be formed in heavy V-doped TiO2. Contradictory experimental results in the literature have reported about the absorption spectra blueshift and redshift results in heavy V-doped TiO2. This study aims to reveal the mechanism of half-metal DMS in heavy V-doped TiO2 and solve the problem of absorption spectra blueshift and redshift in the doping system. In this study, models of the unit cells of pure anatase TiO2 and two V heavy-doped supercells of Ti0.96875V0.03125O2 and Ti0.9375V0.0625O2 were constructed based on density functional theory, which uses the first-principles plane-wave ultrasoft pseudopotential method. All models were obtained through geometry optimization. Local density approximation (LDA) + U was used to calculate the band structure, density of states (DOS), orbital charge and absorption spectrum of the doping system. The calculated results under the condition of electron spin showed that in the heavy doping concentration range, the volume of supercells increases, the total energy and formation energy decrease and the stability of the supercells increases as V doping concentration increases. Furthermore, the interaction of p-p states is weaker than that of p-d states, which results in the valence band maximum shifting toward the low-energy region, and also the optical bandgap becomes narrower as well as the redshift and intensity of the absorption spectrum become more notable. Noticeably, the hybrid coupling effect of Ti-3d and V-3d states becomes stronger, and the magnetic moment increases. The Fermi levels of spin-up band structure within the conduction band, which form the n-type degenerate semiconductors, and the Fermi levels of spin-down band structure within the bandgap indicate that the doping system has semiconductor features. Therefore, V-doped anatase TiO2 is an extremely promising DMS because of its high electron polarizability of nearly 100%. The calculation results are consistent with

  12. Effect of anodic TiO2 powder as additive on electron transport properties in nanocrystalline TiO2 dye-sensitized solar cells

    Science.gov (United States)

    Lin, Chin-Jung; Yu, Wen-Yueh; Chien, Shu-Hua

    2007-12-01

    Highly crystalline anodic TiO2 (AO-TiO2) powder was obtained by grinding of annealed TiO2 nanotube arrays grown using anodization of Ti foil. The influence of AO-TiO2 as additive in nanocrystalline TiO2 film on electron transport properties affecting the performance of these dye-sensitized solar cell was investigated using electrochemical impedance spectroscopy and the open-circuit voltage decay technique under AM 1.5 illumination. As a result of the enhanced charge-collection and light harvesting efficiencies, an increase of above 20% in photocurrent density was observed after the addition of AO-TiO2.

  13. Emerging giant resonant exciton induced by Ta substitution in anatase TiO2: A tunable correlation effect

    Science.gov (United States)

    Yong, Z.; Trevisanutto, P. E.; Chiodo, L.; Santoso, I.; Barman, A. R.; Asmara, T. C.; Dhar, S.; Kotlov, A.; Terentjevs, A.; Della Sala, F.; Olevano, V.; Rübhausen, M.; Venkatesan, T.; Rusydi, A.

    2016-05-01

    Titanium dioxide (TiO2) has rich physical properties with potential implications for both fundamental physics and new applications. To date, the main focus of applied research is to tune its optical properties, which is usually done via doping and/or nanoengineering. However, understanding the role of d electrons in materials and possible functionalization of d -electron properties are still major challenges. Herewith, within a combination of an innovative experimental technique, high-energy optical conductivity, and state-of-the-art ab initio electronic structure calculations, we report an emerging, novel resonant exciton in the deep ultraviolet region of the optical response. The resonant exciton evolves upon low-concentration Ta substitution in anatase TiO2 films. It is surprisingly robust and related to strong electron-electron and electron-hole interactions. The d - and f -orbital localization, due to Ta substitution, plays an unexpected role, activating strong electronic correlations and dominating the optical response under photoexcitation. Our results shed light on a new optical phenomenon in anatase TiO2 films and on the possibility of tuning electronic properties by Ta substitution.

  14. Computational Study of the Adsorption of Dimethyl Methylphosphonate (DMMP) on the (0 1 0) Surface of Anatase TiO2 With and Without Faceting

    Science.gov (United States)

    2010-02-02

    Computational study of the adsorption of dimethyl methylphosphonate (DMMP) on the (0 1 0) surface of anatase TiO2 with and without faceting V.M...DMMP) on the (0 1 0) surface of anatase TiO2, which is isostructural with the (1 0 0), has been studied using density functional theory and two...also close to those found elsewhere for the rutile (1 1 0) and anatase (1 0 1) surfaces. A possible first step in the dissociative adsorption of DMMP

  15. Photocatalytic activity of magnetically anatase TiO2 with high crystallinity and stability for dyes degradation: Insights into the dual roles of SiO2 interlayer between TiO2 and CoFe2O4

    Science.gov (United States)

    Yang, Zewei; Shi, Yingying; Wang, Bing

    2017-03-01

    A novel magnetically separable photocatalyst comprising hollow TiO2-SiO2-CoFe2O4 (TSC) was prepared. In the TSC photocatalyst, an SiO2 interlayer between CoFe2O4 core and TiO2 shell is used to both weaken adverse influence of the magnetic core on photocatalysis and increase the temperature of the transition from anatase to rutile phase TiO2, thus increasing the anatase TiO2 crystallinity. Such an interlayer promotes photocatalytic activity by changing the competition between the injecting process and reacting process of the photogenerated carriers. The photocatalytic activity of TSC was determined for degradation of dye molecules in water under either UV or visible light. The photocatalytic reaction of cationic dyes was governed by rad OH radicals, while O2rad - was the main active species in the initial photoreaction of anionic dyes.

  16. Effect of Yb2O3 Additive on Transformation Behavior of Anatase for TiO2/( O' + β' )-Sialon Multi phase Ceramics

    Institute of Scientific and Technical Information of China (English)

    2005-01-01

    TiO2/(O' + β')-Sialon multiphase ceramics were prepared with nano Ti O2 (anatase) powder and (O' + β')-Sialon powder as raw materials. Effect of Yb2O3 additive on transformation behavior of anatase for TiO2/(O' + β')-Sialon multi phase ceramic was investigated and its influence mechanism was discussed. XRD was employed for the analysis of phase composition and lattice parameters. The results show that even though Yb2O3 has no obvious influence on starting temperature of phase transformation, it significantly accelerates the transformation process, which displays a weakened effect with more Yb2O3 addition. There exist two forms of the added Yb2O3: some enters TiO2 lattice and the other deposits on the surface of TiO2. The function of Yb2O3 on phase transformation of anatase can be attributed to the coaction of active and negative influence mechanisms as follows: some Ybn+ enter TiO2 lattice and replace Ti4+ , as well as the redox reaction between Yb3 + and TiO2, which promote the transformation, whereas other Yb2O3 deposits on the surface of TiO2, and TiO-Yb bond is formed by the coaction of Yb3 + and TiO2, which inhibit the process.

  17. The influence of metal interlayers on the structural and optical properties of nano-crystalline TiO 2 films

    KAUST Repository

    Yang, Yong

    2012-03-01

    TiO 2-M-TiO 2 (M = W, Co and Ag) multilayer films have been deposited on glass substrates using reactive magnetron sputtering, then annealed in air for 2 h at 500°C. The structure, surface morphology and optical properties of the films have been studied using X-ray diffraction, Raman spectroscopy, atomic force microscopy and UV-vis spectroscopy. The TiO 2-W-TiO 2 and TiO 2-Co-TiO 2 films showed crystalline phases, whereas the TiO 2-Ag-TiO 2 films remained in the amorphous state. The crystallization temperature for the TiO 2-M-TiO 2 films decreased significantly compared with pure TiO 2 film deposited on quartz. Detailed analysis of the Raman spectra suggested that the crystallization of TiO 2-M-TiO 2 films was associated with the large structural deformation imposed by the oxidation of intermediate metal layers. Moreover, the optical band gap of the films narrowed due to the appearance of impurity levels as the metal ions migrated into the TiO 2 matrix. These results indicate that the insertion of intermediate metal layers provides a feasible access to improve the structural and optical properties of anatase TiO 2 films, leading to promising applications in the field of photocatalysis. © 2011 Elsevier B.V. All rights reserved.

  18. Particle concentration effect in adsorption/desorption of Zn(II) on anatase type nano TiO2

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    Adsorption/desorption in a new Zn(II)-TiO2 adsorption system was investigated at different particle concentrations (Cp). TEM, SEM and XRD analyses revealed that the TiO2 particles were an aggregation of nano-sized (approximately 10 nm) pure anatase-type TiO2. Adsorption experiments were carried out with particle concentrations of 100, 400 and 1000 mg/L, and their adsorption isotherms were found to decline successively, showing an obvious Cp effect. Desorption experiments indicated that adsorption in this system was irreversible, and the irreversibility increased with increasing Cp. These phenomena could be explained by the MEA (metastable equilibrium adsorption) theory and the Cp effect could be modeled well with an MEA-Freundlich-type Cp effect isotherm equation. This study may help understand environmental behavior of contaminants on ultrafine natural particles.

  19. Structural and electronic properties of Mg and Mg-Nb co-doped TiO2 (101) anatase surface

    Science.gov (United States)

    Sasani, Alireza; Baktash, Ardeshir; Mirabbaszadeh, Kavoos; Khoshnevisan, Bahram

    2016-10-01

    In this paper, by using density functional theory, Mg and Nb-Mg co-doping of TiO2 anatase (101) surfaces are studied. By studying the formation energy of the defects and the bond length distribution of the surface, it is shown that Mg defects tend to stay as far as possible to induce least possible lattice distortion while Nb and Mg defects stay close to each other to cause less stress to the surface. By investigating band structure of the surface and changes stemmed from the defects, potential effects of Mg and Mg-Nb co-doping of TiO2 surface on dye-sensitized solar cells are investigated. In this study, it is shown that the Nb-Mg co-doping could increase JSC of the surface while slightly decreasing VOC compared to Mg doped surface, which might result in an increase in efficiency of the DSSCs compared to Nb or Mg doped surfaces.

  20. Room-temperature synthesis of single-phase anatase TiO2 by aging and its self-cleaning properties.

    Science.gov (United States)

    Qi, Kaihong; Xin, John H

    2010-12-01

    A facile process to synthesize single-phase anatase titanium dioxide nanocrystallites at room temperature was presented. The process included a sol-gel reaction in an aqueous media followed by aging at room temperature. The anatase TiO2 was characterized using XRD, TEM and SEM. The cotton fabrics-coated by the anatase nanocrystallites possessed significant photocatalytic self-cleaning properties as demonstrated by their ability to decompose a colorant and degrade red wine and coffee stains, which was equivalent to that of prepared by heating or hydrothermal methods described previously. The anatase TiO2-coated cotton substrate also showed a high UPF rating of 50+, which means excellent UV protection to human wearers. The study of the adhesion between the anatase TiO2 and the cotton substrate showed that even after 20 times of repeated launderings, the-coated substrate was still capable of decomposing stains, which indicated its photocatalytic power, though this was reduced compared to that before laundering. The tensile strength results of the anatase TiO2-coated cotton fabrics indicate that the anatase TiO2 will not damage the cotton substrate even after 20 h of continuous UV irradiation. The method of preparing single-phase anatase TiO2 revealed in this study not only eliminates the need for high temperature processing, which means energy saving, but also broadens its applications to poor acid-resistant and low thermal stability materials such as many of the biomaterials and cellulosic materials.

  1. Dual Band Electrochromic Devices Based on Nb-Doped TiO2 Nanocrystalline Electrodes.

    Science.gov (United States)

    Barawi, Mariam; De Trizio, Luca; Giannuzzi, Roberto; Veramonti, Giulia; Manna, Liberato; Manca, Michele

    2017-04-25

    The reliable exploitation of localized surface plasmon resonance in transparent conductive oxides is being pursued to push the developement of an emerging class of advanced dynamic windows, which offer the opportunity to selectively and dynamically control the intensity of the incoming thermal radiation without affecting visible transparency. In this view, Nb-doped TiO2 colloidal nanocrystals are particularly promising, as they have a wide band gap and their plasmonic features can be finely tailored across the near-infrared region by varying the concentration of dopants. Four batches of Nb-doped TiO2 nanocrystals with different doping levels (from 0% to 15% of niobium content) have been used here to prepare highly transparent mesoporous electrodes for near-infrared selective electrochromic devices, capable of dynamically modulating the intensity of the transmitted radiation upon the application of a relatively small bias voltage. An engineered dual band electrochromic device (made of 10%-Nb-doped TiO2 nanocrystals) has been eventually fabricated. It was shown to provide two complementary spectroelectrochemical responses, which can be independently controlled through the intensity of the applied potential: a large variation of the optical transmittance in the near-infrared region (by the intensification of the localized surface plasmon scattering) was achievable in the 0-3 V voltage window, reaching values greater than 64% in the spectral range from 800 to 2000 nm, whereas the visible absorption could also be intensively varied at higher potentials (from 3 to 4 V), driven by Li intercalation into the TiO2 anatase lattice.

  2. Influence of surfactant and annealing temperature on optical properties of sol-gel derived nano-crystalline TiO2 thin films.

    Science.gov (United States)

    Vishwas, M; Sharma, Sudhir Kumar; Rao, K Narasimha; Mohan, S; Gowda, K V Arjuna; Chakradhar, R P S

    2010-03-01

    Titanium dioxide thin films have been synthesized by sol-gel spin coating technique on glass and silicon substrates with and without surfactant polyethylene glycol (PEG). XRD and SEM results confirm the presence of nano-crystalline (anatase) phase at an annealing temperature of 300 degrees C. The influence of surfactant and annealing temperature on optical properties of TiO(2) thin films has been studied. Optical constants and film thickness were estimated by Swanepoel's (envelope) method and by ellipsometric measurements in the visible spectral range. The optical transmittance and reflectance were found to decrease with an increase in PEG percentage. Refractive index of the films decreased and film thickness increased with the increase in percentage of surfactant. The refractive index of the un-doped TiO(2) films was estimated at different annealing temperatures and it has increased with the increasing annealing temperature. The optical band gap of pure TiO(2) films was estimated by Tauc's method at different annealing temperature.

  3. TiO2 photoanode sensitized with nanocrystalline Bi2S3: the effect of sensitization time and annealing on its photovoltaic performance

    Science.gov (United States)

    Kulkarni, Anil N.; Rajendra Prasad, M. B.; Pathan, Habib M.; Patil, Rajendra S.

    2016-04-01

    This work deals with the sensitization of the porous TiO2 films of thickness about 4 µm deposited on fluorine-doped tin oxide with nanocrystalline Bi2S3 for photovoltaic application. The sensitization was achieved for four different sensitization times employing chemical solution deposition with bismuth nitrate and sodium thiosulphate as precursors for Bi3+ and S2-, respectively. The unsensitized and sensitized photoelectrodes were characterized using X-ray diffractometry, scanning electron microscopy and diffused reflectance spectroscopy. XRD patterns show the signatures of both anatase TiO2 and orthorhombic Bi2S3 in the sensitized photoanodes. However, crystallinity of Bi2S3 increased with increase in sensitization time from 10 to 40 min. The temporal effect of sensitization and annealing on the photovoltaic performance of the solar cells fabricated using four different photoelectrodes was studied using the photocurrent density versus photovoltage curves. Annealing apparently improved the photovoltaic performance of photoanodes. The best performance was obtained for cell fabricated using annealed TiO2/Bi2S3 photoanode after 30 min sensitization time showing V oc ~ 0.37 mV, J sc ~ 0.52 mA/cm2, FF ~ 68 and 0.43 %.

  4. A General Method for Preparing Anatase TiO2 Treelike-Nanoarrays on Various Metal Wires for Fiber Dye-Sensitized Solar Cells

    Science.gov (United States)

    Chu, Liang; Li, Luying; Su, Jun; Tu, Fanfan; Liu, Nishuang; Gao, Yihua

    2014-03-01

    Anatase TiO2 tree-like nanoarrays were prepared on various metal wires (Ti, W, Ni, etc.) through one-step facile hydrothermal reaction. The anatase TiO2 tree-like nanoarrays consist of long TiO2 nanowire trunks with direct charge transport channels, and a large number of short TiO2 nanorod branches with large surface areas. Fiber dye-sensitized solar cells (FDSSCs) based on the anatase TiO2 tree-like nanoarrays deposited on Ti wires can achieve outstanding power conversion efficiency (PCE) of 6.32%, while FDSSCs on W wires have lower PCE of 3.24% due to the formation of WO3 layer, which might enhance recombination of charges. When the substrate is changed to a Nicole oxide wire, a novel p-n heterojunction can be obtained. This universal method is simple, facile, and low cost for preparing anatase TiO2 treelike-nanoarrays on various metal wires, which may find potential applications in fabrication of optoelectronic devices.

  5. Defects in rutile and anatase polymorphs of TiO2: kinetics and thermodynamics near grain boundaries.

    Science.gov (United States)

    Uberuaga, Blas P; Bai, Xian-Ming

    2011-11-02

    The direct consequence of irradiation on a material is the creation of point defects-typically interstitials and vacancies, and their aggregates-but it is the ultimate fate of these defects that determines the material's radiation tolerance. Thus, understanding how defects migrate and interact with sinks, such as grain boundaries, is crucial for predicting the evolution of the material. We examine defect properties in two polymorphs of TiO(2)-rutile and anatase-to determine how these materials might respond differently to irradiation. Using molecular statics and temperature accelerated dynamics, we focus on two issues: how point defects interact with a representative grain boundary and how they migrate in the bulk phase. We find that grain boundaries in both polymorphs are strong sinks for all point defects, though somewhat stronger in rutile than anatase. Further, the defect kinetics are very different in the two polymorphs, with interstitial species diffusing quickly in rutile while oxygen defects-both interstitials and vacancies-are fast diffusers in anatase. These results allow us to speculate on how grain boundaries will modify the radiation tolerance of these materials. In particular, grain boundaries in rutile will lead to a space charge layer at the boundary and a vacancy-rich damage structure, while in anatase the damage structure would likely be more stoichiometric, but with larger defects consisting primarily of Ti ions.

  6. Electronic structures of anatase (TiO2)1-x(TaON)x solid solutions: a first-principles study.

    Science.gov (United States)

    Dang, Wenqiang; Chen, Hungru; Umezawa, Naoto; Zhang, Junying

    2015-07-21

    Sensitizing wide band gap photo-functional materials under visible-light irradiation is an important task for efficient solar energy conversion. Although nitrogen doping into anatase TiO2 has been extensively studied for this purpose, it is hard to increase the nitrogen content in anatase TiO2 because of the aliovalent nitrogen substituted for oxygen, leading to the formation of secondary phases or defects that hamper the migration of photoexcited charge carriers. In this paper, electronic structures of (TiO2)1-x(TaON)x (0 ≤ x ≤ 1) solid solutions, in which the stoichiometry is satisfied with the co-substitution of Ti for Ta along with O for N, are investigated within the anatase crystal structure using first-principles calculations. Our computational results show that the solid solutions have substantially narrower band gaps than TiO2, without introducing any localized energy states in the forbidden gap. In addition, in comparison with the pristine TiO2, the solid solution has a direct band gap when the content of TaON exceeds 0.25, which is advantageous to light absorption. The valence band maximum (VBM) of the solid solutions, which is mainly composed of N 2p states hybridized with O 2p, Ti 3d or Ta 5d orbitals, is higher in energy than that of pristine anatase TiO2 consisting of non-bonding O 2p states. On the other hand, incorporating TaON into TiO2 causes the formation of d-d bonding states through π interactions and substantially lowers the conduction band minimum (CBM) because of the shortened distance between some metal atoms. As a result, the anatase (TiO2)1-x(TaON)x is expected to become a promising visible-light absorber. In addition, some atomic configurations are found to possess exceptionally narrow band gaps.

  7. Nanocrystalline TiO2 preparation by microwave route and nature of anatase–rutile phase transition in nano TiO2

    Indian Academy of Sciences (India)

    G M Neelgund; S A Shivashankar; B K Chethana; P P Sahoo; K J Rao

    2011-10-01

    Nanopowders of TiO2 has been prepared using a microwave irradiation-assisted route, starting from a metalorganic precursor, bis(ethyl-3-oxo-butanoato)oxotitanium (IV), [TiO(etob)2]2. Polyvinylpyrrolidone (PVP) was used as a capping agent. The as-prepared amorphous powders crystallize into anatase phase, when calcined. At higher calcination temperature, the rutile phase is observed to form in increasing quantities as the calcination temperature is raised. The structural and physicochemical properties were measured using XRD, FT–IR, SEM, TEM and thermal analyses. The mechanisms of formation of nano-TiO2 from the metal–organic precursor and the irreversible phase transformation of nano TiO2 from anatase to rutile structure at higher temperatures have been discussed. It is suggested that a unique step of initiation of transformation takes place in Ti1/2O layers in anatase which propagates. This mechanism rationalizes several key observations associated with the anatase–rutile transformation.

  8. Nanocrystalline TiO2 Composite Films for the Photodegradation of Formaldehyde and Oxytetracycline under Visible Light Irradiation

    Directory of Open Access Journals (Sweden)

    Min Wei

    2017-06-01

    Full Text Available In order to effectively photodegradate organic pollutants, ZnO composite and Co-B codoped TiO2 films were successfully deposited on glass substrates via a modified sol-gel method and a controllable dip-coating technique. Combining with UV–Vis diffuse reflectance spectroscopy (DRS and photoluminescence spectra (PL analyses, the multi-modification could not only extend the optical response of TiO2 to visible light region but also decrease the recombination rate of electron-hole pairs. XRD results revealed that the multi-modified TiO2 film had an anatase-brookite biphase heterostructure. FE-SEM results indicated that the multi-modified TiO2 film without cracks was composed of smaller round-like nanoparticles compared to pure TiO2. BET surface area results showed that the specific surface area of pure TiO2 and the multi-modified TiO2 sample was 47.8 and 115.8 m2/g, respectively. By degradation of formaldehyde and oxytetracycline, experimental results showed that the multi-modified TiO2 film had excellent photodegradation performance under visible light irradiation.

  9. Novel assembly and electrochemical properties of anatase TiO2-graphene aerogel 3D hybrids as lithium-ion battery anodes

    Science.gov (United States)

    Zhang, Jingjie; Zhou, Yizhuo; Zheng, Guangping; Huang, Qiuying; Zheng, Xiucheng; Liu, Pu; Zhang, Jianmin; Guan, Xinxin

    2016-10-01

    TiO2-graphene aerogel (TiO2-GA) 3D hybrids were directly assembled via a one-pot hydrothermal process followed by freeze-drying without using any structure-directing agent. The hybrids with a hierarchical structure exhibited large surface area (SBET = 283.6 m2 g-1) and high pore volume (Vp = 0.278 cm3 g-1), in which the ultradispersed TiO2 nanoparticles were in a single crystal phase of anatase. When used as the anodes for lithium ion battery, the TiO2-GA hybrids exhibited higher reversible capacity, more stable cycling performance and better rate-capability than TiO2 ascribed to the unique 3D nanoporous structure and the synergistic interaction of GA and TiO2.

  10. (THE ANTIBACTERIAL ACTIVITY OF VANADIUM- AND CHROMIUM DOPED TiO2-ANATASE

    Directory of Open Access Journals (Sweden)

    Hari Sutrisno

    2016-09-01

    Full Text Available Samples of vanadium- and -chromium doped TiO2-anatas have been conducted antibacterial activity against the bacteria Escherichia coli (E. Coli. The minimum kill concentration (MBC against the bacteria of E. Coli is determined by liquid dilution method. The antibacterial activity test of 0; 2.3; 3.3; 4.9% wt. vanadium doped TiO2-anatas and 0; 1.1; 3.9; 4.4% wt. chromium doped TiO2-anatas have been performed against bacteria of E. Coli in the absence of light (dark. The test results indicate that the presence of 3.3 and 4.9 in %wt. vanadium-TiO2-anatas are able to inhibit the growth of bacteria E. Coli, contrary all chromium doped TiO2-anatas are not able to inhibit the growth of bacteria of E. Coli.

  11. Porous (001)-faceted anatase TiO2 nanorice thin film for efficient dye-sensitized solar cell

    Science.gov (United States)

    Shah, Athar Ali; Umar, Akrajas Ali; Mat Salleh, Muhamad

    2016-01-01

    Anatase TiO2 structures with nanorice-like morphology and high exposure of (001) facet has been successfully synthesized on an ITO surface using ammonium Hexafluoro Titanate and Hexamethylenetetramine as precursor and capping agent, respectively, under a microwave-assisted liquid-phase deposition method. These anatase TiO2 nanoparticles were prepared within five minutes of reaction time by utilizing an inverter microwave system at a normal atmospheric pressure. The morphology and the size (approximately from 6 to 70 nm) of these nanostructures can be controlled. Homogenous, porous, 5.64 ± 0.002 μm thick layer of spongy-nanorice with facets (101) and (001) was grown on ITO substrate and used as a photo-anode in a dye-sensitized solar cell (DSSC). This solar cell device has emerged out with 4.05 ± 0.10% power conversion efficiency (PCE) and 72% of incident photon-to-current efficiency (IPCE) under AM1.5 G illumination.

  12. Porous (001-faceted anatase TiO2 nanorice thin film for efficient dye-sensitized solar cell

    Directory of Open Access Journals (Sweden)

    Shah Athar Ali

    2016-01-01

    Full Text Available Anatase TiO2 structures with nanorice-like morphology and high exposure of (001 facet has been successfully synthesized on an ITO surface using ammonium Hexafluoro Titanate and Hexamethylenetetramine as precursor and capping agent, respectively, under a microwave-assisted liquid-phase deposition method. These anatase TiO2 nanoparticles were prepared within five minutes of reaction time by utilizing an inverter microwave system at a normal atmospheric pressure. The morphology and the size (approximately from 6 to 70 nm of these nanostructures can be controlled. Homogenous, porous, 5.64 ± 0.002 μm thick layer of spongy-nanorice with facets (101 and (001 was grown on ITO substrate and used as a photo-anode in a dye-sensitized solar cell (DSSC. This solar cell device has emerged out with 4.05 ± 0.10% power conversion efficiency (PCE and 72% of incident photon-to-current efficiency (IPCE under AM1.5 G illumination.

  13. Graphene-Wrapped Anatase TiO2 Nanofibers as High-Rate and Long-Cycle-Life Anode Material for Sodium Ion Batteries

    Science.gov (United States)

    Yeo, Yeolmae; Jung, Ji-Won; Park, Kyusung; Kim, Il-Doo

    2015-09-01

    Anatase TiO2 has been suggested as a potential sodium anode material, but the low electrical conductivity of TiO2 often limits the rate capability, resulting in poor electrochemical properties. To address this limitation, we propose graphene-wrapped anatase TiO2 nanofibers (rGO@TiO2 NFs) through an effective wrapping of reduced graphene oxide (rGO) sheets on electrospun TiO2 NFs. To provide strong electrostatic interaction between the graphene oxide (GO) sheets and the TiO2 NFs, poly(allylamine hydrochloride) (PAH) was used to induce a positively charged TiO2 surface by the immobilization of the -NH3+ group and to promote bonding with the negatively charged carboxylic acid (-COO-) and hydroxyl (-O-) groups on the GO. A sodium anode electrode using rGO@TiO2 NFs exhibited a significantly improved initial capacity of 217 mAh g-1, high capacity retention (85% after 200 cycles at 0.2C), and a high average Coulombic efficiency (99.7% from the second cycle to the 200th cycle), even at a 5C rate, compared to those of pristine TiO2 NFs. The improved electrochemical performances stem from highly conductive properties of the reduced GO which is effectively anchored to the TiO2 NFs.

  14. Improving photoelectrochemical activity of dye sensitized solar cell by a bilayered electrode with an overlayer of mesoporous anatase TiO2

    Institute of Scientific and Technical Information of China (English)

    Jun Jiang; Jian Zhang; Feng Gu; Wei Shao; Chunzhong Li; Mengkai Lu

    2011-01-01

    For better performance of dye sensitized solar cells (DSSCs), a bilayer structured electrode was constructed by employing a mesoporous anatase TiO2 overlayer above a commercial P25 TiO2 nanoparticles underlayer. The mesoporous anatase TiO2, prepared through a facile surfactant-assisted sol-gel process,possessed large pore size and well inter-connected network structure, both beneficial for dye adsorption and electron transfer. The dye adsorption capability of the mesoporous TiO2 was nearly twice that of the P25 counterpart. In the electrode, the mesoporous TiO2 film enhanced both dye adsorption and lightharvest, to increase photocurrent (Jsc) from 12.32 to 14.78 mA/cm2. Compared to the single P25 TiO2 film,the synergy of the mesoporous TiO2 and the P25 TiO2 nanoparticle films in the electrode resulted in a 24% improvement in light-to-electricity conversion efficiency (η). This bilayered electrode provides an alternative approach for further developing a photovoltaic device with better cell performance.

  15. Direct Observation of Charge Separation on Anatase TiO2 Crystals with Selectively Etched {001} Facets.

    Science.gov (United States)

    Liu, Xiaogang; Dong, Guojun; Li, Shaopeng; Lu, Gongxuan; Bi, Yingpu

    2016-03-09

    Synchronous illumination X-ray photoelectron spectroscopy (SIXPS) was employed for the first time to directly identify the photogenerated charge separation and transfer on anatase TiO2 single-crystals with selectively etched {001} facets. More specifically, for the TiO2 crystals with intact {001} and {101} facets, most of photogenerated charge carriers rapidly recombined, and no evident electron-hole separation was detected. With selectively etching on {001} facets, high efficient charge separation via hole transfer to titanium and electron to oxygen was clearly observed. However, when the {001} facets were completely etched into a hollow structure, the recombination for photogenerated electron-hole pairs would dominate again. These demonstrations clearly reveal that the appropriate corrosion on {001} facets could facilitate more efficient electron-hole separation and transfer. As expected, the optimized TiO2 microcrystals with etched {001} facets could achieve a hydrogen generation rate of 74.3 μmol/h/g, which is nearly 7 times higher than the intact-TiO2 crystals.

  16. The annealing temperature dependence of anatase TiO2 thin films prepared by the electron-beam evaporation method

    Science.gov (United States)

    Taherniya, Atefeh; Raoufi, Davood

    2016-12-01

    In this paper, we report on titanium dioxide (TiO2) thin films deposited by an electron beam evaporation method on quartz glass substrates (15 × 15 × 2 mm3 in size), followed by post-annealing at 300 °C to 600 °C for an annealing time of up to 2 h. The substrate temperature during the film deposition was kept at 150 °C. The effect of post-growth thermal annealing on the structural and optical properties of TiO2 thin films were systematically studied as a function of annealing temperature. We found that the as-deposited TiO2 films are amorphous in structure, while the films started to crystallize into the anatase phase when annealed at temperatures ≥450 °C. An increase in annealing temperature results in a decrease of transmittance percentage and also in optical band gap energy. The refractive indices of the films were evaluated from the measured transmittance spectra using the envelope method. An increase in the refractive index with an increase of annealing temperature was observed.

  17. Optimization of macropore evolution towards high photocatalytic activity enhancement in meso/macro porous Anatase TiO2

    Science.gov (United States)

    Nair, Radhika V.; Gayathri, P. K.; Siva Gummaluri, Venkata; Vijayan, C.

    2017-01-01

    We report on an optimization strategy for macro pore evolution leading to the design of highly photocatalytic 3D hierarchical meso/macroporous TiO2 via much simpler, faster and cost effective synthesis scheme. Meso/macro porous TiO2 is an excellent candidate material for photocatalytic applications owing to the availability of internal surfaces as active sites for redox reactions. The current research scenario focuses on the design of highly efficient photocatalytic systems as well as rapid, facile and cost effective methods of synthesis and optimization of parameters. The present report is on the gradual evolution of macropores in anatase TiO2 by the effective control of pH of the solvent, reaction time, temperature, solvent ratio and reactant concentration via a facile hydrothermal method in this regard. 3D hierarchical macroporous structures are obtained at pH 7 within a comparatively short reaction time of 5 h and demonstrated to be highly photocatalytic (with rate constant four times that of P25 nanoparticles) through photodegradation of Rhodamine B dye.

  18. THERMALLY STABLE NANOCRYSTALLINE TIO2 PHOTOCATALYSTS SYNTHESIZED VIA SOL-GEL METHODS MODIFIED WITH IONIC LIQUID AND SURFACTANT MOLECULES

    Science.gov (United States)

    Recently, sol-gel methods employing ionic liquids (ILs) have shown significant implications for the synthesis of well-defined nanostructured inorganic materials. Herein, we synthesized nanocrystalline TiO2 particles via an alkoxide sol-gel method employing a water-immi...

  19. THERMALLY STABLE NANOCRYSTALLINE TIO2 PHOTOCATALYSTS SYNTHESIZED VIA SOL-GEL METHODS MODIFIED WITH IONIC LIQUID AND SURFACTANT MOLECULES

    Science.gov (United States)

    Recently, sol-gel methods employing ionic liquids (ILs) have shown significant implications for the synthesis of well-defined nanostructured inorganic materials. Herein, we synthesized nanocrystalline TiO2 particles via an alkoxide sol-gel method employing a water-immi...

  20. Preparation of anatase TiO2 with assistance of surfactant OP-10 and its electrochemical properties as an anode material for lithium ion batteries

    Institute of Scientific and Technical Information of China (English)

    YI Jin; TAN Chunlin; LI Weishan; LEI Jianfei; HAO Liansheng

    2010-01-01

    With the assistance of nonionic surfactant(OP-10)and surface-selective surfactant(CH3COOH),anatase TiO2 was prepared as an anode material for lithium ion batteries.The morphology,the crystal structure,and the electrochemical properties of the prepared anatase TiO2 were characterized by scanning electron microscopy(SEM),X-ray diffraction(XRD),electrochemical impedance spectroscopy(EIS),and galvanostatic charge and discharge test.The result shows that the prepared anatase TiO2 has high discharge capacity and good cyclic stability.The maximum discharge capacity is 313 mAh·g-1,and there is no significant capacity decay from the second cycle.

  1. Photocatalytic degradation of acridine dyes using anatase and rutile TiO2.

    Science.gov (United States)

    Zubieta, C E; Messina, P V; Schulz, P C

    2012-06-30

    The adsorption and photodegradation of acridine orange (AO) and acriflavine (AF) dyes on two mesoporous titania crystalline phases, anatase and rutile, were experimentally studied. Anatase and rutile were characterized by nitrogen adsorption, electron scanning and transmission microscopy, and X-ray diffraction. The adsorption capacity of rutile was higher than that of anatase, while the reverse is observed for photodegradation of both dyes. The adsorption of AF on both adsorbents was higher than that of AO, which was related with the smaller size of AF molecules compared with those of AO, therefore the access of AF to the adsorption sites is favored.

  2. Photovoltaic conversion using Zn chlorophyll derivative assembled in hydrophobic domain onto nanocrystalline TiO2 electrode.

    Science.gov (United States)

    Amao, Yutaka; Yamada, Yuriko

    2007-02-15

    Photovoltaic conversion using zinc chlorin-e6 (ZnChl-e6), which is zinc chlorophyll-a derivative, and fatty acid (myristic acid or cholic acid) co-adsorbed nanocrystalline TiO2 layer onto ITO glass (OTE) electrode is developed. The maximum peaks of photocurrent action spectrum of the ZnChl-e6 adsorbed TiO2 layer onto OTE (ZnChl-e6/TiO2) are 400, 660 and 800 nm, respectively. Especially the IPCE value at 800 nm (7.5%) is larger than that of 660 nm (6.9%). This result indicates that ZnChl-e6 molecules is aggregated or formed dimer on a nanocrystalline TiO2 layer onto OTE and the absorption band is shifted to near IR region. The photocurrent action spectrum of ZnChl-e6 and cholic acid adsorbed TiO2 layer onto OTE (ZnChl-e6-Cho/TiO2 is similar to that of the UV-vis absorption spectrum in methanol solution, and IPCE values at 400 and 660 nm (8.1%) increase and the IPCE value at 800 nm (4.1%) decreases, indicating that the aggregation of ZnChl-e6 molecules on the TiO2 is suppressed by cholic acid. By using ZnChl-e6-Cho/TiO2, the short-circuit photocurrent density and open-circuit photovoltage also increase compared with that of ZnChl-e6 adsorbed nanocrystalline TiO2 electrode.

  3. Diffusivity and Mobility of Adsorbed Water Layers at TiO2 Rutile and Anatase Interfaces

    Directory of Open Access Journals (Sweden)

    Niall J. English

    2015-12-01

    Full Text Available Molecular-dynamics simulations have been carried out to study diffusion of water molecules adsorbed to anatase-(101 and rutile-(110 interfaces at room temperature (300 K. The mean squared displacement (MSD of the adsorbed water layers were determined to estimate self-diffusivity therein, and the mobility of these various layers was gauged in terms of the “swopping” of water molecules between them. Diffusivity was substantially higher within the adsorbed monolayer at the anatase-(101 surface, whilst the anatase-(101 surface’s more open access facilitates easier contact of adsorbed water molecules with those beyond the first layer, increasing the level of dynamical inter-layer exchange and mobility of the various layers. It is hypothesised that enhanced ease of access of water to the anatase-(101 surface helps to rationalise experimental observations of its comparatively greater photo-activity.

  4. Photocatalytic Activity Enhancement of Anatase TiO2 by Using TiO

    OpenAIRE

    Zhenrui Chen; Wei Zhong; Zhutian Liang; Weiqian Li; Guannan He; Yinzhen Wang; Wei Li; Yuandong Xie; Qinyu He

    2014-01-01

    We employed high-energy ball-milling technique to fabricate TiO/TiO2 heterogeneous nanostructures. XRD proved the existence of TiO/TiO2 heterogeneous structures. SEM and HRTEM investigation evidenced that the mean particle size and mean grain size of the as-prepared samples are 23 nm and 13 nm, respectively. UV-Vis spectra exhibited that TiO has enhanced the visible light absorption of TiO2 and has changed the Eg of TiO2. UPS examination indicated that the electron work function (EWF) of TiO ...

  5. Influence of acidic pH on the formulation of TiO2 nanocrystalline powders with enhanced photoluminescence property

    Directory of Open Access Journals (Sweden)

    Moges Tsega

    2017-02-01

    Full Text Available Titanium dioxide (TiO2 nanoparticles were prepared by the sol-gel method at different pH values (3.2–6.8 with a hydrochloric acid (HCl solution. Raw samples were calcined at 500 °C for 2 h. The effects of pH on the structural, morphological and optical properties of TiO2 nanoparticles were investigated. At pH 4.4–6.8, only the anatase phase of TiO2 was observed. Under strong acidic condition at pH 3.2 rutile, brookite and anatase co-exist, but rutile is the predominant phase. The strain value increased and the crystallite size decreased as the HCl content increased. The increased crystallite sizes in the range 21–24 nm and enhanced blue emission intensity around 432 nm was obtained for the sample at pH 5.0. Experimental results showed that TiO2 nanoparticles synthesized at pH 5.0 exhibited the best luminescence property with pure anatase phase.

  6. Influence of acidic pH on the formulation of TiO2 nanocrystalline powders with enhanced photoluminescence property.

    Science.gov (United States)

    Tsega, Moges; Dejene, F B

    2017-02-01

    Titanium dioxide (TiO2) nanoparticles were prepared by the sol-gel method at different pH values (3.2-6.8) with a hydrochloric acid (HCl) solution. Raw samples were calcined at 500 °C for 2 h. The effects of pH on the structural, morphological and optical properties of TiO2 nanoparticles were investigated. At pH 4.4-6.8, only the anatase phase of TiO2 was observed. Under strong acidic condition at pH 3.2 rutile, brookite and anatase co-exist, but rutile is the predominant phase. The strain value increased and the crystallite size decreased as the HCl content increased. The increased crystallite sizes in the range 21-24 nm and enhanced blue emission intensity around 432 nm was obtained for the sample at pH 5.0. Experimental results showed that TiO2 nanoparticles synthesized at pH 5.0 exhibited the best luminescence property with pure anatase phase.

  7. TiO2/palygorskite composite nanocrystalline films prepared by surfactant templating route: synergistic effect to the photocatalytic degradation of an azo-dye in water.

    Science.gov (United States)

    Stathatos, E; Papoulis, D; Aggelopoulos, C A; Panagiotaras, D; Nikolopoulou, A

    2012-04-15

    Microfibrous palygorskite clay mineral and nanocrystalline TiO(2) are incorporating in the preparation of nanocomposite films on glass substrates via sol-gel route at 500°C. The synthesis involves a simple chemical method employing nonionic surfactant molecule as pore directing agent along with the acetic acid-based sol-gel route without direct addition of water molecules. Drying and thermal treatment of composite films lead to the elimination of organic material while ensure the formation of TiO(2) nanoparticles homogeneously distributed on the surface of the palygorskite microfibers. TiO(2) nanocomposite films without cracks consisted of small crystallites in size (12-16 nm) and anatase crystal phase was found to cover palygorskite microfibers. The composite films were characterized by microscopy techniques, UV-vis, IR spectroscopy, and porosimetry methods in order to examine their structural properties. Palygorskite/TiO(2) composite films with variable quantities of palygorskite (0-2 w/w ratio) were tested as new photocatalysts in the photo-discoloration of Basic Blue 41 azo-dye in water. These nanocomposite films proved to be very promising photocatalysts and highly effective to dye's discoloration in spite of the small amount of immobilized palygorskite/TiO(2) catalyst onto glass substrates. 3:2 palygorskite/TiO(2) weight ratio was finally the most efficient photocatalyst while reproducible discoloration results of the dye were obtained after three cycles with same catalyst. It was also found that palygorskite showed a positive synergistic effect to the TiO(2) photocatalysis.

  8. Electronic and optical properties study on Fesbnd B co-doped anatase TiO2

    Science.gov (United States)

    Li, Xuechao; Shi, Jianhao; Chen, Hao; Wan, Rundong; Leng, Chongyan; Lei, Ying

    2016-09-01

    We investigate the density of states and optical properties for Fe, 2B and (Fe, 2B) doped TiO2 with DFT calculations. The calculated results reveal mono-doping introduces midgap states which are half-occupied and easy to become the recombination centers of charge carriers, thus inhibiting the enhancement of photocatalystic activity. The coupling of 2p-3d states in the (Fe, 2B) compensated co-doped TiO2 makes gap states couple with the valence bands edge, thus greatly causing the band gap narrowing and higher visible light absorption. Moreover, the gap states cannot become recombination centers of the photoexcited carriers, thus promoting the separation of electron-hole pairs, prolonging the lifetime of carriers. The analysis of electron density indicates more electrons from Fe transfer to adjacent B, realizing the charge compensation and forming a stronger Fesbnd B bond. Therefore, the (Fe, 2B) compensated co-doped TiO2 exhibits the higher visible-light photocatalystic activity than those of pure and solely doped TiO2.

  9. Controlled formation of anatase and rutile TiO2 thin films by reactive magnetron sputtering

    NARCIS (Netherlands)

    Rafieian, Damon; Ogieglo, Wojciech; Savenije, Tom; Lammertink, Rob G.H.

    2015-01-01

    We discuss the formation of TiO2 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 an

  10. Photodriven spin change of Fe(II) benzimidazole compounds anchored to nanocrystalline TiO(2) thin films.

    Science.gov (United States)

    Xia, Hai-Long; Ardo, Shane; Narducci Sarjeant, Amy A; Huang, Sunxiang; Meyer, Gerald J

    2009-12-01

    Ferrous tris-chelate compounds based on 2-(2'-pyridyl)benzimidazole (pybzim) have been prepared and characterized for studies of spin equilibria in fluid solution and when anchored to the surface of mesoporous nanocrystalline (anatase) TiO(2) and colloidal ZrO(2) thin films. The solid state structure of Fe(pybzim)(3)(ClO(4))(2).CH(3)CN.H(2)O was determined by single-crystal X-ray diffraction at 110 K to be triclinic, P-1, a = 11.6873(18), b = 12.2318(12), c = 14.723(4) A, alpha = 89.864(13) degrees , beta = 71.430(17) degrees , gamma = 73.788(11) degrees , V = 1907.1(6) A(3), Z = 2, and R = 0.0491. The iron compound has a meridional FeN(6) distorted octahedral geometry with bond lengths expected for a low-spin iron center at 110 K. The visible absorption spectra of Fe(pybzim)(3)(2+) and Fe(pymbA)(3)(2+), where pymbA is 4-(2-pyridin-2-yl-benzimidazol-1-ylmethyl)-benzoic acid, in methanol solution were dominated by metal-to-ligand charge-transfer (MLCT) bands. Variable-temperature UV-visible absorption spectroscopy revealed dramatic changes in the extinction coefficient consistent with a high-spin ((1)A) left harpoon over right harpoon low-spin ((5)T) equilibrium. Thermodynamic parameters for the temperature-dependent spin equilibrium of Fe(pymbA)(3)(2+) in methanol were determined to be DeltaH(HL) = 3270 +/- 210 cm(-1) and DeltaS(HL) = 13.3 +/- 0.8 cm(-1) K(-1). The corresponding values for Fe(pybzimEE)(3)(2+), where pybzimEE is (2-pyridin-2-yl-benzimidazol-1-yl)-acetic acid ethyl ester, in acetonitrile solution were determined to be 3072 +/- 34 cm(-1)and 10.5 +/- 0.1 cm(-1) K(-1). The temperature-dependent effective magnetic moments of Fe(pybzimEE)(3)(2+) in acetonitrile solution were also quantified by the Evans method. Pulsed 532 nm light excitation of Fe(pybzim)(3)(2+) or Fe(pymbA)(3)(2+) in solution resulted in an immediate bleach of the MLCT absorption bands. Relaxation back to the equilibrium state followed a first-order reaction mechanism. Arrhenius analysis

  11. Facile synthesis of carbon-mediated porous nanocrystallite anatase TiO2 for improved sodium insertion capabilities as an anode for sodium-ion batteries

    Science.gov (United States)

    Wu, Feng; Luo, Rui; Xie, Man; Li, Li; Zhang, Xiaoxiao; Zhao, Luzi; Zhou, Jiahui; Wang, KangKang; Chen, Renjie

    2017-09-01

    Porous carbon-mediated nanocrystallite anatase TiO2 composites are synthesized successfully via a simple dilatory hydrolysis-calcination method. The structural and morphological characterizations reveal that carbon-mediated TiO2 with a carbon content of 9.9 wt % (C2-TiO2) shows a combination of mesoporous and macroporous structures with a pore volume of 0.20 cm3 g-1 and surface area of 40.3 m2 g-1. Notably, C2-TiO2 delivered enhanced electrochemical performances of a high charge capacity of 259 mA h g-1 at 0.1 C and a high rate performance of 110 mA h g-1 after 150 cycles, even at 1 C. A significant decrease is also observed in the electrochemical impedance of the carbon-mediated samples, which explains superior electrochemical performance. Compared with the bare anatase TiO2 (B-TiO2), improved sodium storage capabilities of carbon-mediated samples are attributed to the participation of carbon to form a symbiotic structure with TiO2, which not only increases pore volume of the samples but serves as highly conductive network to provide a Na+ diffusion path during the insertion/de-insertion of sodium ions. All of these encouraging results suggest that carbon-mediated TiO2 has a great potential for improving sodium insertion capabilities with a facile and low-cost synthesis process.

  12. Low-temperature Preparation of Photocatalytic TiO2 Thin Films on Polymer Substrates by Direct Deposition from Anatase Sol

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    Anatase TiO2 sol was synthesized under mild conditions (75C and ambient pressure) by hydrolysis of titaniumn-butoxide in abundant acidic aqueous solution and subsequent reflux to enhance crystallization. At room temperature and in ambient atmosphere, crystalline TiO2 thin films were deposited on polymethylmethacrylate (PMMA), SiO2-coated PMMA and SiO2-coated silicone rubber substrates from the as-prepared TiO2 sol by a dip-coating process. SiO2 layers prior to TiO2 thin films on polymer substrates could not only protect the substrates from the photocatalytic decomposition of the TiO2 thin films but also enhance the adhesion of the TiO2 thin films to the substrates. Field-emission type scanning electron microscope (FE-SEM) investigations revealed that the average particle sizes of the nanoparticles composing the TiO2 thin films were about 35~47 nm. The TiO2 thin films exhibited high photocatalytic activities in the degradation of reactive brilliant red dye X-3B in aqueous solution under aerated conditions. The preparation process of photocatalytic TiO2 thin films on the polymer substrates was quite simple and a low temperature route.

  13. Where Do Photogenerated Holes Go in Anatase:Rutile TiO2? A Transient Absorption Spectroscopy Study of Charge Transfer and Lifetime.

    Science.gov (United States)

    Kafizas, Andreas; Wang, Xiuli; Pendlebury, Stephanie R; Barnes, Piers; Ling, Min; Sotelo-Vazquez, Carlos; Quesada-Cabrera, Raul; Li, Can; Parkin, Ivan P; Durrant, James R

    2016-02-11

    Anatase:rutile TiO2 junctions are often shown to be more photocatalytically active than anatase or rutile alone, but the underlying cause of this improvement is not fully understood. Herein, we employ transient absorption spectroscopy to study hole transfer across the anatase:rutile heterojunction in films as a function of phase composition. By exploiting the different signatures in the photoinduced absorption of trapped charges in anatase and rutile, we were able to separately track the yield and lifetime of holes in anatase and rutile sites within phase composites. Photogenerated holes transfer from rutile to anatase on submicrosecond time scales. This hole transfer can significantly increase the anatase hole yield, with a 20:80 anatase:rutile composite showing a 5-fold increase in anatase holes observed from the microsecond. Hole transfer does not result in an increase in charge-carrier lifetime, where an intermediate recombination dynamic between that of pure anatase (t1/2 ≈ 0.5 ms) and rutile (t1/2 ≈ 20 ms) is found in the anatase:rutile junction (t1/2 ≈ 4 ms). Irrespective of what the formal band energy alignment may be, we demonstrate the importance of trap-state energetics for determining the direction of photogenerated charge separation across heterojunctions and how transient absorption spectroscopy, a method that can specifically track the migration of trapped charges, is a useful tool for understanding this behavior.

  14. Improved electron-hole separation and migration in anatase TiO2 nanorod/reduced graphene oxide composites and their influence on photocatalytic performance.

    Science.gov (United States)

    Žerjav, Gregor; Arshad, Muhammad Shahid; Djinović, Petar; Junkar, Ita; Kovač, Janez; Zavašnik, Janez; Pintar, Albin

    2017-03-30

    The as-synthesized TiO2 nanorods a-TNR (amorphous TiO2 layer covering the crystalline anatase TiO2 core) and TNR (fully crystalline anatase TiO2) were decorated with reduced graphene oxide (rGO) to synthesize two series of TiO2 + rGO composites with different nominal loadings of GO (from 4 to 20 wt%). The structural, surface and electronic properties of the obtained TiO2 + rGO composites were analyzed and correlated to their performance in the photocatalytic oxidation of aqueous bisphenol A solution. X-ray photoelectron spectroscopy (XPS) analyses revealed that charge separation in TiO2 + rGO composites is improved due to the perfect matching of TiO2 and rGO valence band maxima (VBM). Cyclic voltammetry (CV) experiments revealed that the peak-to-peak separations (ΔEp) are the lowest and the oxidation current densities are the highest for composites with a nominal 10 wt% GO content, meaning that it is much easier for the charge carriers to percolate through the solid, resulting in improved charge migration. Due to the high charge carrier mobility in rGO and perfect VBM matching between TiO2 and rGO, the electron-hole recombination in composites was suppressed, resulting in more electrons and holes being able to participate in the photocatalytic reaction. rGO amounts above 10 wt% decreased the photocatalytic activity; thus, it is critical to optimize its amount in the TiO2 + rGO composites for achieving the highest photocatalytic activity. BPA degradation rates correlated completely with the results of the CV measurements, which directly evidenced improved charge separation and migration as the crucial parameters governing photocatalysis.

  15. Growth of anatase and rutile phase TiO2 nanoparticles using pulsed laser ablation in liquid: Influence of surfactant addition and ablation time variation

    Science.gov (United States)

    Chaturvedi, Amita; Joshi, M. P.; Mondal, P.; Sinha, A. K.; Srivastava, A. K.

    2017-02-01

    Titanium dioxide (TiO2) nanoparticles were grown using nanosecond pulsed laser ablation of Ti target in DI water and in 0.001 M sodium dodecyl sulfate (SDS) surfactant aqueous solution. Growth was carried out with varying ablation times i. e. 30 min, 60 min and 90 min. The objective of our study was to investigate the influence of variations in liquid ambience conditions on the growth of the nanoparticles in a pulsed laser ablation in liquid (PLAL) process. Size, composition and optical properties of the grown TiO2 nanoparticles were investigated using transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), optical absorption, photoluminescence (PL) spectroscopy and X-ray diffraction (XRD) studies. The obtained nanoparticles of TiO2 were found almost spherical in shape and polycrystalline in nature in both the liquid mediums i.e. DI water and aqueous solution of surfactant. Nanoparticles number density was also found to increase with increasing ablation time in both the liquid mediums. However crystalline phase of the grown TiO2 nanoparticles differs with the change in liquid ambience conditions. Selected area electron diffraction (SAED), PL and XRD studies suggest that DI water ambience is favorable for the growth of anatase phase TiO2 nanoparticles for all ablation times. While Surfactant added water ambience is favorable for the growth of rutile phase TiO2 nanoparticles but for shorter ablation times of 30 min and 60 min only, for longer ablation time of 90 min anatase phase was also observed along with the rutile phase TiO2 nanoparticles. The formation of anatase phase in DI water and rutile and anatase phase in aqueous solution of surfactant is explained on the basis of varying thermodynamic conditions with the two different liquid ambiences and different ablation times.

  16. Integration of High-Performance Nanocrystalline TiO2 Photoelectrodes for N719-Sensitized Solar Cells

    Directory of Open Access Journals (Sweden)

    Ke-Jian Jiang

    2013-01-01

    Full Text Available We report on enhanced performance of N719-sensitized TiO2 solar cells (DSCs incorporating size and photoelectron diffusion-controlled TiO2 as sensitizer-matched light-scatter layers on conventional nanocrystalline TiO2 electrodes. The double-layered N719/TiO2 composite electrode with a high dye-loading capacity exhibits the diffused reflectance of more than 50% in the range of λ = 650–800 nm, even when the films are coupled with the titania nanocrystalline underlayer in the device. As a result, the increased near-infrared light-harvesting produces a high light-to-electricity conversion efficiency of over 9% mainly due to the significant increase of Jsc. Such an optical effect of the NIR-light scattering TiO2 electrodes will be beneficial when the sensitizers with low molar extinction coefficients, such as N719, are introduced in the device.

  17. DFT study with inclusion of the Grimme potential on anatase TiO2: structure, electronic, and vibrational analyses.

    Science.gov (United States)

    Albuquerque, Anderson R; Garzim, Marcos L; Santos, Iêda M G dos; Longo, Valeria; Longo, Elson; Sambrano, Julio R

    2012-11-29

    Periodic DFT/B3LYP calculations for TiO(2) anatase bulk were carried out including semiempirical dispersive interactions (DFT-D2) to pure Khon-Sham DFT energy. From this standard methodology, van der Waals (vdW) radii were optimized to 1.4214 Å for titanium and 1.3420 Å for oxygen centers in order to achieve a better structural description. The results from this approach (here named DFT/B3LYP-D*) showed a better description for lattice constants, vibrational IR and Raman, energy band gaps, and bulk modulus than default DFT/B3LYP and DFT/B3LYP-D. The dispersion correction showed more reliable results and was necessary to achieve a good agreement with reported single crystal results, without new formalism or additional computational cost.

  18. Strong out-of-plane magnetic anisotropy in ion irradiated anatase TiO2 thin films

    Directory of Open Access Journals (Sweden)

    M. Stiller

    2016-12-01

    Full Text Available The temperature and field dependence of the magnetization of epitaxial, undoped anatase TiO2 thin films on SrTiO3 substrates was investigated. Low-energy ion irradiation was used to modify the surface of the films within a few nanometers, yet with high enough energy to produce oxygen and titanium vacancies. The as-prepared thin film shows ferromagnetism which increases after irradiation with low-energy ions. An optimal and clear magnetic anisotropy was observed after the first irradiation, opposite to the expected form anisotropy. Taking into account the experimental parameters, titanium vacancies as di-Frenkel pairs appear to be responsible for the enhanced ferromagnetism and the strong anisotropy observed in our films. The magnetic impurities concentrations was measured by particle-induced X-ray emission with ppm resolution. They are ruled out as a source of the observed ferromagnetism before and after irradiation.

  19. Acetylene hydrogenation on anatase TiO2(101) supported Pd4 cluster: oxygen deficiency effect.

    Science.gov (United States)

    Yang, Jie; Cao, Li-Xin; Wang, Gui-Chang

    2012-07-01

    Acetylene hydrogenation on both the perfect and oxygen defective anatase TiO(2)(101) surfaces supported Pd(4) cluster has been studied using density functional theory calculations with a Hubbard U correction (DFT + U). The adsorbed Pd(4) cluster on the perfect surface prefers to form a tetrahedral structure, while it likely moves to the oxygen defective site to form a distorted tetrahedral structure by removing a bridging oxygen atom. For the defective surface, it exhibits a stronger ability to capture Pd(4) cluster as charge transfer is significantly performed due to the oxygen deficiency. Moreover, it is found that the oxygen defective surface shows higher activity for acetylene hydrogenation, and the possible reason may lie in the weaker adsorption strength between the Pd cluster and the adsorbed molecules on the defective surface as compared to the case on the perfect surface.

  20. Inverted organic solar cells based on Cd-doped TiO2 as an electron extraction layer

    Science.gov (United States)

    Ranjitha, A.; Muthukumarasamy, N.; Thambidurai, M.; Velauthapillai, Dhayalan; Madhan Kumar, A.; Gasem, Zuhair M.

    2014-10-01

    Nanocrystalline Cd-doped TiO2 thin films have been prepared by sol-gel method. X-ray diffraction analysis reveals that TiO2 and Cd-doped TiO2 nanocrystalline thin films are of anatase phase. The average grain size of TiO2 and Cd-doped TiO2 nanocrystalline thin films was found to lie in the range of 15-18 nm. Solar cells have been fabricated with a device structure of ITO/Cd-doped TiO2/P3HT:PC71BM/MoO3/Al configuration. The power conversion efficiency of the inverted organic solar cell with Cd-doped TiO2 is 3.06% and is higher than that of TiO2 based organic solar cell (2.64%).

  1. Oxidative trends of TiO2—hole trapping at anatase and rutile surfaces

    DEFF Research Database (Denmark)

    Zawadzki, Pawel; Laursen, Anders B.; Jacobsen, Karsten Wedel;

    2012-01-01

    position is dependent on the type of surface termination. Such variations in hole state energies can lead to differences in photocatalytic activity among rutile and anatase surface facets. We find that the calculated hole state energies correlate with photo-deposition and photo-etching rates. We...

  2. Effect of anatase nanoparticles (TiO2) on parsley seed germination (Petroselinum crispum) in vitro.

    Science.gov (United States)

    Dehkourdi, Elahe Hashemi; Mosavi, Mousa

    2013-11-01

    Nano priming is a new method for the increase of seedling vigor and improvement of germination percentage and seedling growth. The experiments to evaluate the effect of different concentrations of nano-anatase on germination parameters of parsley as a completely randomized design with five replications were performed in a tissue culture laboratory of the Department of Horticulture, Shahid Chamran University of Ahvaz. In addition, nano-anatase at four concentrations (10, 20, 30, and 40 mg/ml) was added to the Murashige and Skoog medium. At the end of the experiment, the percentage of germination, germination rate index, root and shoot length, fresh weight of seedlings, vigor index, and chlorophyll content were evaluated. The results showed that an increase in the concentration of nano-anatase caused a significant increase in the percentage of germination, germination rate index, root and shoot length, fresh weight, vigor index, and chlorophyll content of seedlings. The best concentration of nano-anatase was 30 mg/ml.

  3. Effect of variation of precursor concentration on structural, microstructural, optical and gas sensing properties of nanocrystalline TiO2 thin films prepared by spray pyrolysis techniques

    Indian Academy of Sciences (India)

    Lalchand A Patil; Dinesh N Suryawanshi; Idris G Pathan; Dhanashri G Patil

    2013-12-01

    The objective of the present paper is to investigate the effect of variation of precursor concentration (0.01, 0.02 and 0.03 M) on the structural, microstructural, optical and gas sensing properties of TiO2 thin films. Titanium dioxide (TiO2) films were prepared from aqueous solution of titanium chloride (TiCl3.6H2O, 99.9%pure, Merckmade, Germany) onto the glass substrates heated at a temperature of 350 °C by the spray pyrolysis technique. Bandgap energy of the films vary from 3.28 to 3.29 eV. X-ray diffraction shows that films to be nanocrystalline with anatase phase having tetragonal crystal structure. The values calculated from electron diffraction patterns (TEM) were observed to be matching with values calculated from XRD. Transmission electron microscopy (TEM) reveled that grain sizes were observed to increase (10–29 nm) with an increase in the concentration of precursor solution. The gas sensing performance of the films was tested.

  4. Optimisation of anatase TiO2 thin film growth on LaAlO3(0 0 1) using pulsed laser deposition

    Science.gov (United States)

    Krupski, K.; Sanchez, A. M.; Krupski, A.; McConville, C. F.

    2016-12-01

    Optimisation of epitaxial anatase TiO2 thin films grown on LaAlO3(0 0 1) substrates was performed using ultra-high vacuum based pulsed laser deposition (PLD) and studied by in-situ reflection high-energy electron diffraction (RHEED). In addition, ex-situ X-ray diffraction (XRD), atomic force microscopy (AFM), and scanning transmission electron microscopy (STEM) were performed to characterise the bulk properties of these thin films. The deposited TiO2 thin film is demonstrated to have anatase phase and bonded directly to the LaAlO3(0 0 1) substrate. In a separate ultra-high vacuum system low-energy electron diffraction (LEED) and scanning tunneling microscopy (STM) measurements were performed and a well-ordered two-domain (1 × 4) and (4 × 1) reconstruction of anatase surface was observed. Analysis of the STM measurements indicates the coexistence of atomic steps of both 2.5 Å and 5.0 Å, confirming the existence of two TiO2 domains. The atomic resolution STEM images reveal that the TiO2/LaAlO3 interface to be terminated with LaO layer and that the anatase-TiO2 reconstruction was found to be stable during the film growth.

  5. Chemisorption of CH2O on N-doped TiO2 anatase nanoparticle as modified nanostructure media: A DFT study

    Science.gov (United States)

    Abbasi, Amirali; Sardroodi, Jaber Jahanbin; Ebrahimzadeh, Alireza Rastkar

    2016-12-01

    The structural and electronic properties of N-doped TiO2 anatase nanoparticles and their effects on the adsorption of formaldehyde molecule have been investigated using the density functional theory computations. Given the need to better understand the behavior of the adsorbed CH2O molecule on the anatase nanoparticle, we report results of density functional theory studies of the N-doped nanoparticles, as well as complex systems consisting of the CH2O molecule bound to a TiO2 nanoparticle. N-doped nanoparticle was obtained by substitution of nitrogen atom of TiO2 instead of oxygen atom. Adsorptions of the CH2O molecule on the dangling oxygen atom, twofold coordinated oxygen atom and doped nitrogen atom sites of the pristine and N-doped anatase nanoparticles were investigated. The results presented include structural parameters such as adsorption energies, bond lengths and bond angles and electronic properties such as density of states, spin distribution densities and molecular orbitals. It was found that the adsorption of the CH2O molecule on the dangling oxygen of considered N-doped TiO2 anatase nanoparticles is energetically more favorable than the adsorption on the undoped ones. It means a more stable configuration compared to the undoped nanoparticle adsorption, but not as stable as the CH2O adsorption on the doped nitrogen site of N-doped nanoparticles.

  6. Electronic hole transfer in rutile and anatase TiO2: Effect of a delocalization error in the density functional theory on the charge transfer barrier height

    DEFF Research Database (Denmark)

    Zawadzki, Pawel; Rossmeisl, Jan; Jacobsen, Karsten Wedel

    2011-01-01

    where charge localization is strongly coupled to lattice distortion. As an example we calculate the adiabatic PES for the hole transfer process in rutile and anatase TiO2. (Semi) local DFT leads to qualitatively wrong, barrierless curves. Removal of the nonlinearity improves the PES shape and allows us...

  7. Correlation of the depletion layer with the Helmholtz layer in the anatase TiO2-H2O interface via molecular dynamics simulations.

    Science.gov (United States)

    Sang, Lixia; Zhang, Yudong; Wang, Jun; Zhao, Yangbo; Chen, Yi-Tung

    2016-06-01

    Molecular dynamics simulations have been conducted to study the interaction between anatase TiO2(001), (100), and (101) surfaces and water at room temperature. The dynamic interfacial structure and properties of water on anatase TiO2 surfaces are obtained by analyzing the water density, the diffusion coefficient of water, the surface charge distribution, electric fields and the electrostatic potential distribution. The simulation results have revealed that a highly-ordered water layer structure can be formed near to the anatase TiO2 surface and have also given the Helmholtz layer width and potential drop at the water-TiO2 interface. By correlating the Helmholtz layer with the depletion layer, the depletion layer widths of three surfaces (001), (100), and (101) have been calculated as 474 Å, 237 Å and 99 Å, respectively. The resulting order of the photoelectrochemical activity of the anatase TiO2 surfaces is (001) > (100) > (101), which is consistent with the experimental results. This study may provide a useful correlation of the depletion layer with the Helmholtz layer based on simulations results for the prediction of the behavior and the control of photon-energy conversion devices.

  8. Electronic Structures of S/C-Doped TiO2 Anatase (101 Surface: First-Principles Calculations

    Directory of Open Access Journals (Sweden)

    Qili Chen

    2014-01-01

    Full Text Available The electronic structures of sulfur (S or carbon (C-doped TiO2 anatase (101 surfaces have been investigated by density functional theory (DFT plane-wave pseudopotential method. The general gradient approximation (GGA + U (Hubbard coefficient method has been adopted to describe the exchange-correlation effects. All the possible doping situations, including S/C dopants at lattice oxygen (O sites (anion doping, S/C dopants at titanium (Ti sites (cation doping, and the coexisting of anion and cation doping, were studied. By comparing the formation energies, it was found that the complex of anion and cation doping configuration forms easily in the most range of O chemical potential for both S and C doping. The calculated density of states for various S/C doping systems shows that the synergistic effects of S impurities at lattice O and Ti sites lead a sharp band gap narrowing of 1.35 eV for S-doped system comparing with the pure TiO2 system.

  9. Photocatalytic Anatase TiO2 Thin Films on Polymer Optical Fiber Using Atmospheric-Pressure Plasma.

    Science.gov (United States)

    Baba, Kamal; Bulou, Simon; Choquet, Patrick; Boscher, Nicolas D

    2017-04-06

    Due to the undeniable industrial advantages of low-temperature atmospheric-pressure plasma processes, such as low cost, low temperature, easy implementation, and in-line process capabilities, they have become the most promising next-generation candidate system for replacing thermal chemical vapor deposition or wet chemical processes for the deposition of functional coatings. In the work detailed in this article, photocatalytic anatase TiO2 thin films were deposited at a low temperature on polymer optical fibers using an atmospheric-pressure plasma process. This method overcomes the challenge of forming crystalline transition metal oxide coatings on polymer substrates by using a dry and up-scalable method. The careful selection of the plasma source and the titanium precursor, i.e., titanium ethoxide with a short alkoxy group, allowed the deposition of well-adherent, dense, and crystalline TiO2 coatings at low substrate temperature. Raman and XRD investigations showed that the addition of oxygen to the precursor's carrier gas resulted in a further increase of the film's crystallinity. Furthermore, the films deposited in the presence of oxygen exhibited a better photocatalytic activity toward methylene blue degradation assumedly due to their higher amount of photoactive {101} facets.

  10. Preparation and characterization of highly photoactive nanocrystalline TiO2 powders by solvent evaporation-induced crystallization method

    Institute of Scientific and Technical Information of China (English)

    YU; Jiaguo(余家国); YU; Jimmy; C.(余济美); CHENG; Bei(程蓓); ZHAO; Xiujian(赵修建)

    2003-01-01

    Highly photoactive bi-phase nanocrystalline TiO2 photocatalyst was prepared by a solvent evaporation-induced crystallization (SEIC) method, and calcined at different temperatures. The obtained TiO2 photocatalyst was characterized with X-ray diffraction (XRD), transmission electron microscopy (TEM) and BET surface areas. The photocatalytic activity was evaluated by the photocatalytic oxidation of acetone in air. The results show that solvent evaporation can promote the crystallization and phase transformation of TiO2 at 100℃. When calcination temperatures are below 600℃, the prepared TiO2 powders show bimodal pore size distributions in the mesoporous region. At 700℃, the pore size distributions exhibit monomodal distribution of the inter-aggregated pores due to the collapse of the intra-aggregated pores. At 100℃, the obtained TiO2 photocatalyst by this method shows good photocatalytic activity, and at 400℃, its photocatalytic activity exceeds that of Degussa P25. This may be attributed to the fact that the prepared TiO2 photocatalyst has higher specific surface areas, smaller crystallite size and bimodal pore size distribution.

  11. Influence of cerium ions on the anatase-rutile phase transition of TiO2 prepared by sol-gel auto-igniting synthesis

    Institute of Scientific and Technical Information of China (English)

    YAN Qingzhi; SU Xintai; ZHOU Yanping; GE Changchun

    2005-01-01

    The anatase-rutile phase transformation of TiO2 doped cerium up to 5 mol% was studied by X-ray diffraction and X-ray photoelectron spectroscopy. The samples were prepared by sol-gel auto-igniting synthesis process from a TiO(NO3)2-Ce(NO3)2-NH4NO3-citric acid complex compound system. The combusted amorphous powders were calcined at different temperatures. Significant structural changes were observed during the various stages of the phase transformation.It was concluded that at low dopant contents, cerium ions were incorporated into the TiO2 structure, and the anatase phase was stabilized; but at larger amounts, part of the dopant was segregated on the surface of TiO2 and the rutile formation was accelerated at elevated calcination temperature.

  12. Radially oriented mesoporous TiO2 microspheres with single-crystal-like anatase walls for high-efficiency optoelectronic devices.

    Science.gov (United States)

    Liu, Yong; Che, Renchao; Chen, Gang; Fan, Jianwei; Sun, Zhenkun; Wu, Zhangxiong; Wang, Minghong; Li, Bin; Wei, Jing; Wei, Yong; Wang, Geng; Guan, Guozhen; Elzatahry, Ahmed A; Bagabas, Abdulaziz A; Al-Enizi, Abdullah M; Deng, Yonghui; Peng, Huisheng; Zhao, Dongyuan

    2015-05-01

    Highly crystalline mesoporous materials with oriented configurations are in demand for high-performance energy conversion devices. We report a simple evaporation-driven oriented assembly method to synthesize three-dimensional open mesoporous TiO2 microspheres with a diameter of ~800 nm, well-controlled radially oriented hexagonal mesochannels, and crystalline anatase walls. The mesoporous TiO2 spheres have a large accessible surface area (112 m(2)/g), a large pore volume (0.164 cm(3)/g), and highly single-crystal-like anatase walls with dominant (101) exposed facets, making them ideal for conducting mesoscopic photoanode films. Dye-sensitized solar cells (DSSCs) based on the mesoporous TiO2 microspheres and commercial dye N719 have a photoelectric conversion efficiency of up to 12.1%. This evaporation-driven approach can create opportunities for tailoring the orientation of inorganic building blocks in the assembly of various mesoporous materials.

  13. Comparison of catalytic activities for photocatalytic and sonocatalytic degradation of methylene blue in present of anatase TiO2-CNT catalysts.

    Science.gov (United States)

    Zhang, Kan; Zhang, Feng Jun; Chen, Ming Liang; Oh, Won Chun

    2011-05-01

    Anatase TiO(2)-CNT catalysts with high specific surface areas were prepared by depositing TiO(2) particles on the surface of carbon nanotubes (CNTs) using a modified sol-gel technique. These catalysts prepared with different amounts of CNTs were characterized by nitrogen adsorption, Fourier Transform infrared (FT-IR) spectroscopy, scanning electron microscope (SEM), Transmission Electron Microscope (TEM), X-ray diffraction (XRD), Raman spectroscopy, energy dispersive X-ray (EDX) and ultraviolet-visible (UV-Vis) spectroscopy. The catalytic activity of the anatase TiO(2)-CNT catalysts was assessed by examining the degradation of methylene blue (MB) from model aqueous solutions as a probe reaction under visible light and ultrasonic irradiation. The synergistic effect of the greater surface area and catalytic activities of the composite catalysts was examined in terms of the strong adsorption ability and interphase interaction by comparing the different amounts and roles of CNTs in the catalysts.

  14. Atomic Layer Deposition of p-Type Epitaxial Thin Films of Undoped and N-Doped Anatase TiO2.

    Science.gov (United States)

    Vasu, K; Sreedhara, M B; Ghatak, J; Rao, C N R

    2016-03-01

    Employing atomic layer deposition, we have grown p-type epitaxial undoped and N-doped anatase TiO2(001) thin films on c-axis Al2O3 substrate. From X-ray diffraction and transmission electron microscopy studies, crystallographic relationships between the film and the substrate are found to be (001)TiO2//(0001)Al2O3 and [1̅10]TiO2//[011̅0]Al2O3. N-doping in TiO2 thin films enhances the hole concentration and mobility. The optical band gap of anatase TiO2 (3.23 eV) decreases to 3.07 eV upon N-doping. The epitaxial films exhibit room-temperature ferromagnetism and photoresponse. A TiO2-based homojunction diode was fabricated with rectification from the p-n junction formed between N-doped p-TiO2 and n-TiO2.

  15. Photoanode based on chain-shaped anatase TiO2 nanorods for high-efficiency dye-sensitized solar cells.

    Science.gov (United States)

    Rui, Yichuan; Li, Yaogang; Wang, Hongzhi; Zhang, Qinghong

    2012-10-01

    Anatase TiO(2) nanorods with large specific surface areas and high crystallinity have been synthesized by surfactant-free hydrothermal treatment of water-soluble peroxotitanium acid (PTA). X-ray diffraction and TEM analysis showed that all TiO(2) nanorods derived from PTA in different hydrothermal processes were in the anatase phase, and high aspect ratio TiO(2) nanorods with chain-shaped structures were formed at 150 °C for 24 h by oriented growth. The nanorods were fabricated as photoanodes for high-efficiency dye-sensitized solar cells (DSSCs). DSSCs fabricated from the chain-shaped TiO(2) nanorods gave a highest short-circuit current density of 14.8 mA cm(-2) and a maximum energy conversion efficiency of 7.28 %, as a result of the presence of far fewer surface defects and grain boundaries than are present in commercial P25 TiO(2) nanoparticles. Electrochemical impedance spectroscopy also confirmed that DSSCs based on the TiO(2) nanorods have enhanced electron transport properties and a long electron lifetime. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Photocatalytic antibacterial effects on TiO2-anatase upon UV-A and UV-A/VIS threshold irradiation.

    Science.gov (United States)

    Wu, Yanyun; Geis-Gerstorfer, Jürgen; Scheideler, Lutz; Rupp, Frank

    2016-01-01

    Photocatalysis mediated by the anatase modification of titanium dioxide (TiO2) has shown antibacterial effects in medical applications. The aim of this study was to investigate the possibility of expanding the excitation wavelengths for photocatalytic antibacterial effects from ultraviolet (UV) into the visible light range. After deposition of salivary pellicle and adhesion of Streptococcus gordonii on anatase, different irradiation protocols were applied to induce photocatalysis: ultraviolet A (UV-A) > 320 nm; ultraviolet/visible (UV-A/VIS) light > 380 nm and > 390 nm; and VIS light 400-410 nm. A quartz crystal microbalance with dissipation (QCM-D) tests and microscopic examination were used to observe the photoinduced antibacterial effects. Salivary pellicle could be photocatalytically decomposed under all irradiation protocols. In contrast, effective photocatalytic attack of bacteria could be observed by UV-A as well as by UV-A/VIS at 380 nm < λ < 390 nm only. Wavelengths above 380 nm show promise for in situ therapeutic antifouling applications.

  17. Supercritical Propanol-Water Synthesis and Comprehensive Size Characterisation of Highly Crystalline anatase TiO 2 Nanoparticles

    Science.gov (United States)

    Hald, Peter; Becker, Jacob; Bremholm, Martin; Pedersen, Jan S.; Chevallier, Jacques; Iversen, Steen B.; Iversen, Bo B.

    2006-08-01

    Highly crystalline anatase TiO 2 nanoparticles have been synthesised in less than 1 min in a supercritical propanol-water mixture using a continuous flow reactor. The synthesis parameter space ( T, P, concentration) has been explored and the average particle size can be accurately controlled within 10-18 nm with narrow size distributions (2-3 nm). At subcritical conditions amorphous products are obtained, whereas a broad range of T and P in the supercritical regime gives 11-14 nm particles. At high temperature and pressure, the particles size increase to 18 nm. The nanoparticles have been extensively characterised with powder X-ray diffraction (PXRD), transmission electron microscopy (TEM) and small-angle X-ray scattering (SAXS) with excellent agreement on size and size distribution parameters. The SAXS analysis suggests disk-shaped particles with diameters that are approximately double the height. For comparison, a series of conventional autoclave sol-gel syntheses have been carried out. These also produce phase-pure anatase nanoparticles, but with much broader size distributions and at much longer synthesis times (hours). The study demonstrates that synthesis in supercritical fluids is a very promising method for manipulating the size and size distribution of nanoparticles, thus removing one of the key limitations in many applications of nanomaterials.

  18. Thermodynamically driven one-dimensional evolution of anatase TiO2 nanorods: one-step hydrothermal synthesis for emerging intrinsic superiority of dimensionality.

    Science.gov (United States)

    Chen, Jiazang; Yang, Hong Bin; Miao, Jianwei; Wang, Hsin-Yi; Liu, Bin

    2014-10-29

    In photoelectrochemical cells, there exists a competition between transport of electrons through the porous semiconductor electrode toward the conducting substrate and back-reaction of electrons to recombine with oxidized species on the semiconductor-electrolyte interface, which determines the charge collection efficiency and is strongly influenced by the density and distribution of electronic states in band gap and architectures of the semiconductor electrodes. One-dimensional (1D) anatase TiO2 nanostructures are promising to improve charge transport in photoelectrochemical devices. However, the conventional preparation of 1D anatase nanostructures usually steps via a titanic acid intermediate (e.g., H2Ti3O7), which unavoidably introduces electronic defects into the host lattice, resulting in undesired shielding of the intrinsic role of dimensionality. Here, we manage to promote the 1D growth of anatase TiO2 nanostructures by adjusting the growth kinetics, which allows us to grow single-crystalline anatase TiO2 nanorods through a one-step hydrothermal reaction. The synthesized anatase nanorods possess a lower density of trap states and thus can simultaneously facilitate the diffusion-driven charge transport and suppress the electron recombination. Moreover, the electronically boundary free nanostructures significantly enhance the trap-free charge diffusion coefficient of the anatase nanorods, which enables the emergence of the intrinsic superiority of dimensionality. By virtue of these merits, the anatase nanorods synthesized in this work take obvious advantages over the conventional anatase counterparts in photoelectrochemical systems (e.g., dye-sensitized solar cells) by showing more efficient charge transport and collection and higher energy conversion efficiency.

  19. Synergistic effect of nanocavities in anatase TiO2 nanobelts for photocatalytic degradation of methyl orange dye in aqueous solution.

    Science.gov (United States)

    Praveen Kumar, D; Lakshmana Reddy, N; Karthikeyan, M; Chinnaiah, N; Bramhaiah, V; Durga Kumari, V; Shankar, M V

    2016-09-01

    Nanocavities are empty voids exposed on the surface of one dimensional TiO2 nanostructured material. Often, they exhibited beneficial optical and electrical properties that leads to efficient photocatalytic reactions. This study reports formation of nanocavities on anatase TiO2 nanobelts (TNB) through dehydroxylation of surface hydroxyl groups during calcination process (350-600°C). The morphological and crystal structure analysis of TNB-500, -550 and -600 displayed the nanobelts shape with high density of nano-size cavities and increase in average diameter with calcination temperature. The SAED patterns confirm the anatase TiO2 phase. The enhanced light absorption properties of biphasic anatase/TiO2-B and anatase TiO2 than H2Ti3O7 are attributed to transformation of crystal structure upon calcination process. The catalytic activity was evaluated for degradation of methyl orange dye in aqueous solution under solar light irradiation. The reaction variables such as calcination temperature, amount of catalyst and pH of the methyl orange dye solution were studied and discussed in detail. Under optimal experimental conditions TNB-550 photocatalyst displayed highest degradation performance about 8 folds higher than H2Ti3O7. The high performance is explained as due to synergistic properties of one dimensional anatase TiO2 with high density of nanocavities leading to one dimensional transfer of electrons and high absorption co-efficient in UV-A spectrum are suitable for efficient red-ox reactions. Copyright © 2016 Elsevier Inc. All rights reserved.

  20. Photoelectrochemical Character of TiO2 Nanocrystalline Electrodes Sensitized by Aluminum Phthalocyanines Modified with Sulfonate Groups

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    Particular kinds of TiO2 nanocrystalline electrodes were sensitized by aluminum phthalocyanines modified with sulfonate groups [Al(OH)PcSn]. It was found that in the red region, the electrodes show obvious photoelectrical responses. The surface photovoltage spectra and photocurrent action spectra indicate that in the red region, the monomers of aluminum phthalocyanines have a greater influence on the determination of the photoelectrical response of TiO2 electrodes than the dimers. The dye-sensitized solar cells were obtained by using the aluminum phthalocyanines-sensitized TiO2 electrodes and Pt electrodes, which have an open circuit photovoltage of 360 mV, a short circuit photocurrent of 39.4 μA/cm2, a fill factor of 0.54 and a maximum power output of 7.65 μW/cm2 under a light intensity of 50 mW/cm2.

  1. Nanocrystalline TiO2 Powder Prepared by Sol-Gel Method for Dye-Sensitized Solar Cells

    OpenAIRE

    Dobrzański L. A.; Szindler M. M.; Szindler M.; Lukaszkowicz K.; Drygała A.; Prokopiuk vel Prokopowicz M.

    2016-01-01

    In this study titanium dioxide nanopowder has been manufactured and examined. Nanocrystalline TiO2 powder has been obtained by hydrolysis and peptization of a solution of titanium isopropoxide and isopropanol. Subsequently, produced powder has been subjected to structural analysis by using a transmission electron microscope, X-ray diffractometer, and Raman spectrometer. For comparison purposes, a commercially available titanium dioxide powder (i.e. titanium white) was also used. Thin layers h...

  2. Electrolytic Fixation of CO2 by Electrocarboxylation of RX on Nanocrystalline TiO2-Pt Cathode

    Institute of Scientific and Technical Information of China (English)

    CHU, Dao-Bao(褚道葆); LI, Xiao-Hua(李晓华); LIU, Xin-Yuan(刘心元); YAO, Wen-Li(姚文俐)

    2004-01-01

    Electrolytic fixation of CO2 was investigated by electrocarboxylation of organic halides (RX), and four esters (Ⅰ, Ⅱ, Ⅲ, Ⅳ) were obtained in moderate yields. Electrochemical reduction esterifications of RX in the presence of CO2 were carried out on nanocrystalline TiO2-Pt electrode. The electrochemical behavior of RX in the presence of CO2 was investigated by the technique of cyclic voltammetry, and the probable reaction mechanism was proposed.

  3. Study of 44Ti grain boundary self-diffusion in thin nanocrystalline TiO2 films

    Energy Technology Data Exchange (ETDEWEB)

    Straumal, Petr [Institut fuer Materialphysik, Universitaet Muenster, D-48149 Muenster (Germany); National University of Science and Technology, MISIS, 119049 Moscow (Russian Federation); Divinski, Sergiy; Wilde, Gerhard [Institut fuer Materialphysik, Universitaet Muenster, D-48149 Muenster (Germany)

    2011-07-01

    Titanium dioxide is known for its photo-catalytic properties and enhanced corrosion resistance in aqueous environments. Due to these properties TiO2 is very attractive material for light-induced self-cleaning glass, water-cleaning and producing hydrogen from water applications. Numerous works are dedicated to the diffusion of various dopants like niobium or chromium in TiO2 but so far, none studied the self-diffusion of titanium in nanocrystalline TiO2. The grain boundary self-diffusion in thin nanocrystalline TiO2 films is investigated. The oxide films are produced using a novel deposition method from metal-organic precursors at relatively low (400-500 C) temperatures. A relaxation annealing at 800 C was performed. The diffusion was measured in temperature interval between 200 C and 600 C by means of the radiotracer technique applying the 44Ti isotope and utilizing ion beam sputtering for sectioning. The diffusion was measured at different oxygen pressures. In addition, the microstructure and its possible evaluation during diffusion annealing was investigated using TEM. The results are discussed with respect of the relationship between grain boundary self-diffusion and the synthesis pathway, the oxygen pressure and resulting microstructure of the nanoscale functional oxide films.

  4. 10% Efficiency Dye-sensitized Solar Cells Using P25 TiO2 Nanocrystalline Electrode Prepared by a Bead-milling Method

    National Research Council Canada - National Science Library

    Yamamoto, Yasuhiro; Kawaraya, Masahide; Segawa, Hiroshi; Uchida, Satoshi; Kano, Junya; Saito, Fumio; Tsujimoto, Kazuki; Saito, Tsubasa; Ito, Seigo

    2011-01-01

    ...). The coated nanocrystalline TiO2 electrodes were evaluated using X-ray diffraction (XRD) and a haze meter. The shape and crystallinity of the TiO2 nanoparticles were not changed, but the transparency was improved by the bead-milling process...

  5. Screened coulomb hybrid DFT study on electronic structure and optical properties of anionic and cationic Te-doped anatase TiO2

    KAUST Repository

    Harb, Moussab

    2013-06-27

    The origin of the enhanced visible-light optical absorption in Te-doped bulk anatase TiO2 is investigated in the framework of DFT and DFPT within HSE06 in order to ensure accurate electronic structure and optical transition predictions. Various oxidation states of Te species are considered based on their structural location in bulk TiO2. In fact, TiO (2-x)Tex (with isolated Te2- species at Te-Te distance of 8.28 Å), TiO2Tex (with isolated TeO 2- species at Te-Te distance of 8.28 Å), TiO2Te 2x (with two concomitant TeO2- species at Te-Te distance of 4.11 Å), and Ti(1-2x)O2Te2x (with two neighboring Te4+ species at nearest-neighbor Te-Te distance of 3.05 Å) show improved optical absorption responses in the visible range similarly as it is experimentally observed in Te-doped TiO2 powders. The optical absorption edges of TiO(2-x)Tex, TiO 2Tex, and TiO2Te2x are found to be red-shifted by 400 nm compared with undoped TiO2 whereas that of Ti(1-2x)O2Te2x is red-shifted by 150 nm. On the basis of calculated valence and conduction band edge positions of Te-doped TiO2, only TiO(2-x)Tex and Ti (1-2x)O2Te2x show suitable potentials for overall water splitting under visible-light irradiation. The electronic structure analysis revealed narrower band gaps of 1.12 and 1.17 eV with respect to undoped TiO2, respectively, resulting from the appearance of new occupied electronic states in the gap of TiO2. A delocalized nature of the gap states is found to be much more pronounced in TiO (2-x)Tex than that with Ti(1-2x)O 2Te2x due to the important contribution of numerous O 2p orbitals together with Te 5p orbitals. © 2013 American Chemical Society.

  6. Synthesis and photocatalytic properties of Palladium-loaded three dimensional flower-like anatase TiO2 with dominant {001} facets.

    Science.gov (United States)

    Bai, Xue; Lv, Lingling; Zhang, Xiaoyuan; Hua, Zulin

    2016-04-01

    Palladium-loaded (Pd-loaded) anatase TiO2 with dominant {001} facets used as photocatalysts was prepared by a two-step process. Three dimensional flower-like structures of anatase TiO2 with exposed {001} facets were synthesized by solvothermal method, and then Pd nanoparticles were photodeposited onto the {101} surface of TiO2 by UV reduction. The resulting Pd/TiO2 was characterized by X-ray diffraction, scanning electron microscopy, transmission electron microscopy, X-ray photoelectron spectroscopy, and UV-vis diffuse reflectance spectra. Characterization results indicated that the flower-like structures of anatase TiO2 were assembled by two dimensional nanosheets with a thickness of approximately 10nm and a length of approximately 1.0μm. The Pd/TiO2 nanocomposites with improved visible-light-harvesting capability, high charge-hole mobility, and low electron-hole recombination exhibited improved photocatalytic performance in degrading bisphenol A. This study provided new insights into the fabrication and practical application of high-performance photocatalysts in degrading organic pollutants.

  7. 銳鈦型TiO2性能研究 II.銳鈦型TiO2的光化學活性封閉及表徵%Studies on the Properties of Anatase TiO2 II.The Encapsulation and Characterization of Photochemical Activity of Anatase TiO2

    Institute of Scientific and Technical Information of China (English)

    高丕英; 溫占秀; 方圖南; 於遵巨集; 古巨集晨

    1999-01-01

      In this paper,the hydrothermal surface modification with silica was applied to encapsulate the surface photochemiacl activity of anatase TiO2. The reducing reaction of Cr2O72- was used to evaluate the integraty of the encapsulation layer. Some factors,e.g., TiO2 slurry solid concentration,temperature and pH,as well as reaction time which dominate the encapsulation, were studied too.

  8. The Function of TiO2 with Respect to Sensitizer Stability in Nanocrystalline Dye Solar Cells

    Directory of Open Access Journals (Sweden)

    A. Barkschat

    2008-01-01

    Full Text Available Dyes of characteristically different composition have been tested with respect to long-term stability in operating standardized dye sensitized cells during a time period of up to 3600 hours. Selective solar illumination, the use of graded filters, and imaging of photocurrents revealed that degradation is linked to the density of photocurrent passed. Photoelectrochemical degradation was observed with all sensitizers investigated. Sensitization was less efficient and sensitizers were less photostable with nanostructured ZnO compared to nanostructured TiO2. The best performance was confirmed for cis-RuII(dcbpyH22(NCS2 on TiO2. However, it was 7–10 times less stable under other identical conditions on ZnO. Stability is favored by carboxylate anchoring and metal-centred electron transfer. In presence of TiO2, it is enhanced by formation of a stabilizing charge-transfer complex between oxidized Ru dye and back-bonding interfacial Ti3+ states. This is considered to be the main reason for the ongoing use of expensive Ru complexes in combination with TiO2. The local surface chemistry of the nanocrystalline TiO2 turned out to be a crucial factor for sensitizer stability and requires further investigation.

  9. Fabrication of phase and morphology controlled pure rutile and rutile/anatase TiO2 nanostructures in functional ionic liquid/water

    Science.gov (United States)

    Shahi, Satwant Kaur; Kaur, Navneet; Singh, Vasundhara

    2016-01-01

    In this paper, pure rutile and anatase-rutile TiO2 nanoparticles have been successfully synthesised via a green route by hydrolysis of titanium tetrachloride with room temperature acidic ionic liquid 3-methyl-1-(3-sulfonylpropyl) imidazolium trifluoromethanesulfonate [HO3S(CH2)3MIM][CF3SO3] in aqueous medium. The influence of pH of the solution by varying molar ratio of substrate and ionic liquid has been investigated in both sol⿿gel and hydrothermal synthesis of TiO2 with significant variation in phase, phase composition (ratio of rutile to anatase) and morphology as indicated by various structural analysis such as XRD, TEM, BET, Raman and UV⿿vis absorption spectroscopy. The results indicate formation of a bunch of aligned thin flaky nano-rods of TiO2 which look like nano-flowers with a crystal size of 3⿿5 nm by sol⿿gel method, while in case of hydrothermal method well-defined rutile solid nanorods of TiO2 were formed with variable length in the range of 120⿿170 nm and 20⿿24 nm in width. The photocatalytic activity of the prepared TiO2 samples has been determined by the photodegradation of methyl orange dye (20 ppm) under UV light. Best photocatalytic activity was exhibited by sample S-2 prepared via sol⿿gel method.

  10. Effects of nano anatase-rutile TiO2 volume fraction with natural dye containing anthocyanin on the dye sensitized solar cell performance

    Science.gov (United States)

    Agustini, S.; Wahyuono, R. A.; Sawitri, D.; Risanti, D. D.

    2013-09-01

    Since its first development, efforts to improve efficiency of Dye Sensitized Solar Cell (DSSC) are continuously carried out, either through selection of dye materials, the type of semiconductor, counter electrode design or the sandwiched structure. It is widely known that anatase and rutile are phases of TiO2 that often being used for fabrication of DSSC. Rutile is thermodynamically more stable phase having band-gap suitable for absorption of sunlight spectrum. On the other hand, anatase has higher electrical conductivity, capability to adsorp dye as well as higher electron diffusion coefficient than those of rutile. Present research uses mangosteen pericarp and Rhoeo spathacea extracted in ethanol as natural dye containing anthocyanin. These dyes were characterized by using UV-Vis and FTIR, showing that the absorption maxima peaks obtained at 389 nm and 413 nm, for mangosteen and Rhoeo spathacea, respectively. The nano TiO2 was prepared by means of co-precipitation method. The particle size were 9-11 nm and 54.5 nm for anatase and rutile, respectively, according to Scherrer's equation. DSSCs were fabricated in various volume fractions of anatase and rutile TiO2. The fabricated DSSCs were tested under 17 mW/cm2 of solar irradiation. The current-voltage (I-V) characteristic of DSSCs employing 75%: 25% volume fraction of anatase and rutile TiO2 have outstanding result than others. The highest conversion efficiencies of 0.037% and 0.013% are obtained for DSSC employing natural dye extract from mangosteen pericarp and Rhoeo spathacea, respectively.

  11. Modification of Charge Trapping at Particle/Particle Interfaces by Electrochemical Hydrogen Doping of Nanocrystalline TiO2.

    Science.gov (United States)

    Jiménez, Juan M; Bourret, Gilles R; Berger, Thomas; McKenna, Keith P

    2016-12-14

    Particle/particle interfaces play a crucial role in the functionality and performance of nanocrystalline materials such as mesoporous metal oxide electrodes. Defects at these interfaces are known to impede charge separation via slow-down of transport and increase of charge recombination, but can be passivated via electrochemical doping (i.e., incorporation of electron/proton pairs), leading to transient but large enhancement of photoelectrode performance. Although this process is technologically very relevant, it is still poorly understood. Here we report on the electrochemical characterization and the theoretical modeling of electron traps in nanocrystalline rutile TiO2 films. Significant changes in the electrochemical response of porous films consisting of a random network of TiO2 particles are observed upon the electrochemical accumulation of electron/proton pairs. The reversible shift of a capacitive peak in the voltammetric profile of the electrode is assigned to an energetic modification of trap states at particle/particle interfaces. This hypothesis is supported by first-principles theoretical calculations on a TiO2 grain boundary, providing a simple model for particle/particle interfaces. In particular, it is shown how protons readily segregate to the grain boundary (being up to 0.6 eV more stable than in the TiO2 bulk), modifying its structure and electron-trapping properties. The presence of hydrogen at the grain boundary increases the average depth of traps while at the same time reducing their number compared to the undoped situation. This provides an explanation for the transient enhancement of the photoelectrocatalytic activity toward methanol photooxidation which is observed following electrochemical hydrogen doping of rutile TiO2 nanoparticle electrodes.

  12. Bio-photovoltaic conversion device using chlorine-e6 derived from chlorophyll from Spirulina adsorbed on a nanocrystalline TiO2 film electrode.

    Science.gov (United States)

    Amao, Yutaka; Komori, Tasuku

    2004-03-15

    A bio-photovoltaic conversion device based on dye-sensitised solar cell (DSSC) using the visible light sensitisation of chlorine-e6 (Chl-e6) derived from chlorophyll from Spirulina adsorbed on a nanocrystalline TiO2 film was developed. Form fluorescence spectrum of Chl-e6 adsorbed on a nanocrystalline TiO2 film, the emission of Chl-e6 was effectively quenched by TiO2 nanocrystalline indicating that the effective electron injection from the excited singlet state of Chl-e6 into the conduction band of TiO2 particles occurred. The short-circuit photocurrent density (Isc). the open-circuit photovoltage (Voc). and the fill factor (FF) of solar cell using Chl-e6 adsorbed on a nanocrystalline TiO2 film electrode were estimated to be 0.305 +/- 0.012 mA cm(-2), 426 +/- 10 mV, and 45.0%, respectively. IPCE values were reached a maximum around the wavelength of absorption maximum (7.40% at 400 nm; 1.44% at 514 nm and 2.91% at 670 nm), indicating that the DSSC using visible light sensitisation of nanocrystalline TiO2 film by Chl-e6 was developed.

  13. Probing the charge recombination in rGO decorated mixed phase (anatase-rutile) TiO2 multi-leg nanotubes

    Science.gov (United States)

    Rambabu, Y.; Jaiswal, Manu; Roy, Somnath C.

    2016-11-01

    Recombination of photo-generated charges is one of the most significant challenges in designing efficient photo-anode for photo electrochemical water oxidation. In the case of TiO2, mixed phase (anatase-rutile) junctions often shown to be more effective in suppressing electron-hole recombination compared to a single (anatase or rutile) phase. Here, we report the study of bulk and surface recombination process in TiO2 multi-leg nanotube (MLNTs) anatase-rutile (A-R) junctions decorated with reduced graphene oxide (rGO) layers, through an analysis of the photo-current and impedance characteristics. To quantify the charge transport/transfer process involved in these junctions, holes arriving at the interface of semiconductor/electrolyte were collected by adding H2O2 to the electrolyte. This enabled us to interpret the bulk and surface recombination process involved in anatase/rutile/rGO junctions for photo-electrochemical water oxidation. We correlated this quantification to the electrochemical impedance spectroscopy (EIS) measurements, and showed that in anatase/rutile junction the increase in PEC performance was due to suppression in electron-hole recombination rate at the surface states that effectively enhances the hole transfer rate to the electrolyte. On the other hand, in rGO wrapped A-R MLNTs junction it was due to both phenomenon i.e decrease in bulk recombination rate as well as increase in hole transfer rate to the electrolyte at the semiconductor/electrolyte interface.

  14. Synthesis of [111]- and {010}-faceted anatase TiO2 nanocrystals from tri-titanate nanosheets and their photocatalytic and DSSC performances.

    Science.gov (United States)

    Chen, Changdong; Ikeuchi, Yasushi; Xu, Linfeng; Sewvandi, Galhenage A; Kusunose, Takafumi; Tanaka, Yasuhiro; Nakanishi, Shunsuke; Wen, Puhong; Feng, Qi

    2015-05-07

    [111]- and {010}-faceted anatase nanocrystals with controllable crystal size and morphology were synthesized from tri-titanate H2Ti3O7 nanosheets by hydrothermal reaction. The nanostructures and the formation reaction mechanism of the obtained TiO2 nanocrystals were investigated using XRD, FE-SEM, and TEM. Furthermore, the photocatalytic and dye-sensitized solar cell (DSSC) performances of the synthesized anatase nanocrystals were also characterized. Two types of reactions occur in the formation process of the anatase nanocrystals. One is an in situ topochemical conversion reaction of the layered titanate structure to an anatase structure, and another is the dissolution-deposition reaction on the particle surface, which splits the formed nanosheet-like particles into small TiO2 nanocrystals. The surface photocatalytic activity and the DSSC performance of the anatase nanocrystals are dependent on the crystal facet exposed on the particle surface, which increases in the order of non-facet DSSC performance, which is enhanced in the order of non-facet < [111]-facet < {010}-facet.

  15. Effect Of Non-metal Elements (C, N, S) As Anionic Dopants On Electronic Structure Of Tio2-Anatase By Density-Functional Theory Approach

    OpenAIRE

    Hari Sutrisno

    2016-01-01

    This article is a theoritical approach to calculate the electronic structure of undoped- and non-metal anions doped-TiO2-anatase. The objective of the research is to calculate abinitio the band structure and the density of states (DOS) of undoped-, C-, N-, and S-doped TiO2-anatase. Kohn-Sham equations are performed with the density functional theory (DFT) using the local density approximation (LDA) for exchange-correlation functional. The first-principle calculations were done using supercell...

  16. Formation of TiO2 photoanodes by simultaneous electrophoretic deposition of anatase and rutile particles for photoassisted electrolytic copper ions removal

    Directory of Open Access Journals (Sweden)

    Yeimmy Y. Peralta-Ruiz

    2012-01-01

    Full Text Available The influence of Anatasa/Rutile ratio on TiO2 films, grown by electrophoretic deposition was studied in the photoassisted electrolytic copper ions removal from cyanide solutions. The proper dispersant dosage allowing the simultaneous electrophoretic deposition of Anatase and Rutile was chosen based on electrokinetic measurements; evidenced by the XRD spectra of the formed films. The evaluation of films photoassisted electrolytic copper ion removal showeds that it is possible to enhance the activity of Anatase films by adding some Rutile exploiting the synergetic interaction between these two materials, achieve by its proper deposition.

  17. Anomalous behavior of B1g mode in highly transparent anatase nano-crystalline Nb-doped Titanium Dioxide (NTO thin films

    Directory of Open Access Journals (Sweden)

    Subodh K. Gautam

    2015-12-01

    Full Text Available The effect of Niobium doping and size of crystallites on highly transparent nano-crystalline Niobium doped Titanium Dioxide (NTO thin films with stable anatase phase are reported. The Nb doping concentration is varied within the solubility limit in TiO2 lattice. Films were annealed in controlled environment for improving the crystallinity and size of crystallites. Elemental and thickness analysis were carried out using Rutherford backscattering spectrometry and cross sectional field emission scanning electron microscopy. Structural characteristics reveal a substitutional incorporation of Nb+5 in the TiO2 lattice which inhibits the anatase crystallites growth with increasing the doping percentage. The micro-Raman (MR spectra of films with small size crystallites shows stiffening of about 4 cm−1 for the Eg(1 mode and is ascribed to phonon confinement and non-stoichiometry. In contrast, B1g mode exhibits a large anomalous softening of 20 cm−1 with asymmetrical broadening; which was not reported for the case of pure TiO2 crystallites. This anomalous behaviour is explained by contraction of the apical Ti-O bonds at the surface upon substitutional Nb5+ doping induced reduction of Ti4+ ions also known as hetero-coordination effect. The proposed hypotheses is manifested through studying the electronic structure and phonon dynamics by performing the near edge x-ray absorption fine structure (NEXAFS and temperature dependent MR down to liquid nitrogen temperature on pure and 2.5 at.% doped NTO films, respectively.

  18. Mechanisms of Visible Light Photocatalysis in N-Doped Anatase TiO2 with Oxygen Vacancies from GGA+U Calculations

    Directory of Open Access Journals (Sweden)

    Hsuan-Chung Wu

    2013-01-01

    Full Text Available We have systematically studied the photocatalytic mechanisms of nitrogen doping in anatase TiO2 using first-principles calculations based on density functional theory, employing Hubbard U (8.47 eV on-site correction. The impurity formation energy, charge density, and electronic structure properties of TiO2 supercells containing substitutional nitrogen, interstitial nitrogen, or oxygen vacancies were evaluated to clarify the mechanisms under visible light. According to the formation energy, a substitutional N atom is better formed than an interstitial N atom, and the formation of an oxygen vacancy in N-doped TiO2 is easier than that in pure TiO2. The calculated results have shown that a significant band gap narrowing may only occur in heavy nitrogen doping. With light nitrogen doping, the photocatalysis under visible light relies on N-isolated impurity states. Oxygen vacancies existence in N-doped TiO2 can improve the photocatalysis in visible light because of a band gap narrowing and n-type donor states. These findings provide a reasonable explanation of the mechanisms of visible light photocatalysis in N-doped TiO2.

  19. The influence of anatase-rutile mixed phase and ZnO blocking layer on dye-sensitized solar cells based on TiO2nanofiberphotoanodes

    Science.gov (United States)

    Ding, Jianning; Li, Yan; Hu, Hongwei; Bai, Li; Zhang, Shuai; Yuan, Ningyi

    2013-01-01

    High performance is expected in dye-sensitized solar cells (DSSCs) that utilize one-dimensional (1-D) TiO2 nanostructures owing to the effective electron transport. However, due to the low dye adsorption, mainly because of their smooth surfaces, 1-D TiO2 DSSCs show relatively lower efficiencies than nanoparticle-based ones. Herein, we demonstrate a very simple approach using thick TiO2 electrospun nanofiber films as photoanodes to obtain high conversion efficiency. To improve the performance of the DSCCs, anatase-rutile mixed-phase TiO2 nanofibers are achieved by increasing sintering temperature above 500°C, and very thin ZnO films are deposited by atomic layer deposition (ALD) method as blocking layers. With approximately 40-μm-thick mixed-phase (approximately 15.6 wt.% rutile) TiO2 nanofiber as photoanode and 15-nm-thick compact ZnO film as a blocking layer in DSSC, the photoelectric conversion efficiency and short-circuit current are measured as 8.01% and 17.3 mA cm-2, respectively. Intensity-modulated photocurrent spectroscopy and intensity-modulated photovoltage spectroscopy measurements reveal that extremely large electron diffusion length is the key point to support the usage of thick TiO2 nanofibers as photoanodes with very thin ZnO blocking layers to obtain high photocurrents and high conversion efficiencies.

  20. Soft-Templated Self-Assembly of Mesoporous Anatase TiO2/Carbon Composite Nanospheres for High-Performance Lithium Ion Batteries.

    Science.gov (United States)

    Wu, Ruofei; Shen, Shuiyun; Xia, Guofeng; Zhu, Fengjuan; Lastoskie, Christian; Zhang, Junliang

    2016-08-10

    Mesoporous anatase TiO2/carbon composite nanospheres (designated as meso-ATCCNs) were successfully synthesized via a facile soft-templated self-assembly followed by thermal treatment. Structural and morphological analyses reveal that the as-synthesized meso-ATCCNs are composed of primary TiO2 nanoparticles (∼5 nm), combined with in situ deposited carbon either on the surface or between the primary TiO2 nanoparticles. When cycled in an extended voltage window from 0.01 to 3.0 V, meso-ATCCNs exhibit excellent rate capabilities (413.7, 289.7, and 206.8 mAh g(-1) at 200, 1000, and 3000 mA g(-1), respectively) as well as stable cyclability (90% capacity retention over 500 cycles at 1000 mA g(-1)). Compared with both mesoporous TiO2 nanospheres and bulk TiO2, the superior electrochemical performance of the meso-ATCCNs electrode could be ascribed to a synergetic effect induced by hierarchical structure that includes uniform TiO2 nanoparticles, the presence of hydrothermal carbon derived from phenolic resols, a high surface area, and open mesoporosity.

  1. A DFT study on the interaction of Co with an anatase TiO2 (001)-(1×4) surface

    Institute of Scientific and Technical Information of China (English)

    Zhijun Zuo; Wei Huang; Peide Han; Zhihong Li; Jian Huang

    2009-01-01

    The substitution/adsorption structures of Co on an anatase TiO2 (001)-(1×4) surface are investigated using the DFT/local density approximation (LDA) method.Theoretical calculation shows that the Co ion prefers to be adsorbed on the surface of anatase TiO2.The density of states (DOS) analysis finds that the Co 3d is located mainly in the energy gap region.The Co 3d partial density of states (PDOS) indicates that there is a substantial degree of hybridization between O 2s and Co 3d in valence band (VB) regions in the substitution models.The conclusion is that the mode of substitution is more active when the catalyst is a higher-energy surface.

  2. Anomalous Hall effect suppression in anatase Co:TiO2 by the insertion of an interfacial TiO2 buffer layer

    NARCIS (Netherlands)

    Lee, Y.J.; Jong, de M.P.; Wiel, van der W.G.; Kim, Y.; Brock, J.D.

    2010-01-01

    We present the effect of introducing a TiO2 buffer layer at the SrTiO3/Co:TiO2 interface on the magnetic and structural properties of anatase Co:TiO2 (1.4 at. % Co). Inserting the buffer layer leads to suppression of the room-temperature anomalous Hall effect, accompanied by a reduced density of Co

  3. High-temperature superconductivity in single-unit-cell FeSe films on anatase TiO2(001)

    OpenAIRE

    Ding, Hao; Lv, Yan-Feng; Zhao, Kun; Wang, Wen-Lin; Wang, Lili; Song, Can-Li; Chen, Xi; Ma, Xu-Cun; Xue, Qi-Kun

    2016-01-01

    We report on the observation of high-temperature ($T_\\textrm{c}$) superconductivity and magnetic vortices in single-unit-cell FeSe films on anatase TiO$_2$(001) substrate by using scanning tunneling microscopy. A systematic study and engineering of interfacial properties has clarified the essential roles of substrate in realizing the high-$T_\\textrm{c}$ superconductivity, probably via interface-induced electron-phonon coupling enhancement and charge transfer. By visualizing and tuning the oxy...

  4. Anomalous Hall effect suppression in anatase Co:TiO2 by the insertion of an interfacial TiO2 buffer layer

    NARCIS (Netherlands)

    Lee, Y.J.; de Jong, Machiel Pieter; van der Wiel, Wilfred Gerard; Kim, Y.; Brock, J.D.

    2010-01-01

    We present the effect of introducing a TiO2 buffer layer at the SrTiO3 /Co:TiO2 interface on the magnetic and structural properties of anatase Co:TiO2 1.4 at. % Co. Inserting the buffer layer leads to suppression of the room-temperature anomalous Hall effect, accompanied by a reduced density of Co

  5. Adsorption of croconate dyes on TiO2 anatase (101) surface: A periodic DFT study to understand the binding of diketo groups

    Indian Academy of Sciences (India)

    Avinash L Puyad; Ch Ramesh Kumar; K Bhanuprakash

    2012-01-01

    The adsorption of model croconate dyes on the stoichiometric TiO2 anatase (101) surface has been studied by means of periodic density functional calculations to understand the adsorption of the diketo (-COCO-) groups. Past experimental and theoretical results have shown the strong binding ability of the acid group (-COOH) to the TiO2 surface but here the theoretical studies predicts the binding strength of the diketo group to be also significant and comparable with that of the -COOH group. This may cause a competitive binding between the keto groups and the acid groups on the TiO2 surface in the case of croconate dyes and cause a reduction in the efficiency of the DSSC.

  6. Multifunctional nature of UV-irradiated nanocrystalline anatase thin films for biomedical applications.

    Science.gov (United States)

    Rupp, F; Haupt, M; Klostermann, H; Kim, H-S; Eichler, M; Peetsch, A; Scheideler, L; Doering, C; Oehr, C; Wendel, H P; Sinn, S; Decker, E; von Ohle, C; Geis-Gerstorfer, J

    2010-12-01

    Anatase is known to decompose organic material by photocatalysis and to enhance surface wettability once irradiated by ultraviolet (UV) light. In this study, pulse magnetron-sputtered anatase thin films were investigated for their suitability with respect to specific biomedical applications, namely superhydrophilic and biofilm degrading implant surfaces. UV-induced hydrophilicity was quantified by static and dynamic contact angle analysis. Photocatalytic protein decomposition was analyzed by quartz crystal microbalance with dissipation. The surfaces were characterized by X-ray diffraction, atomic force microscopy, scanning electron microscopy and X-ray photoelectron spectroscopy. The radical formation on anatase, responsible for photocatalytic effects, was analyzed by electron spin resonance spectroscopy. Results have shown that the nanocrystalline anatase films, in contrast to reference titanium surfaces, were sensitive to UV irradiation and showed rapid switching towards superhydrophilicity. The observed decrease in carbon adsorbents and the increase in the fraction of surface hydroxyl groups upon UV irradiation might contribute to this hydrophilic behavior. UV irradiation of anatase pre-conditioned with albumin protein layers induces the photocatalytic decomposition of these model biofilms. The observed degradation is mainly caused by hydroxyl radicals. It is concluded that nanocrystalline anatase films offer different functions at implant interfaces, e.g. bedside hydrophilization of anatase-coated implants for improved osseointegration or the in situ decomposition of conditioning films forming the basal layer of biofilms in the oral cavity.

  7. Research on the Electrochemical Performance of Rutile and Anatase Composite TiO2 Nanotube Arrays in Lithium-Ion Batteries.

    Science.gov (United States)

    Wei, Jiang; Liu, Jian-Xiong; Wu, Zheng-Yu; Zhan, Zhao-Lin; Shi, Jin; Xu, Kun

    2015-07-01

    Titanium dioxide is considered as an ideal anode material for lithium-ion batteries. It has many different polymorphs such as anatase and rutile, etc. Both nano-scale rutile and anatase exhibit large potential in accommodating Li ions. Although the electrochemical performance of the rutile or anatase has been studied very well, their combined effect in lithium battery is still unclear at present. In our work, a kind of rutile and anatase composite TiO2 nanotube arrays was synthesized by two steps: anodization and heat treatment. The characteristics of the composite arrays were examined by XRD, SEM, and TEM. The first discharge capacity and charge capacity at 0.1 C (1C = 335 mA h g(-1)) of the composite is about 230 mA h g(-1), and 210 mA h g(-1), which are higher than pure anatase of 180 mA h g(-1) and 173 mA h g(-1). The composite remain about 80% of its initial capacities (185 mA h g(-1)) after 100 cycles. Two anodic peaks around 1.8 V and 2.2 V can be found in the composite in the cyclic voltammetry curves, while there is only one anodic peak in anatase. The separation of anodic and cathodic peak potentials of composite is less than that of anantase, indicating a better charge/discharge reversibility. The electrochemical impedance spectrum test shows the resistance of the composite is larger than that of pure anatase due to that the composite have more grain boundaries. The higher specific capacities of composite arrays may ascribe to the rutile's larger amount of lithium ions insertion and the defects facilitate lithium ions migration. Our work demonstrates that a better electrochemical performance of TiO2 can be achieved by synthesizing the composite material.

  8. Novel Approach for the Synthesis of Nanocrystalline Anatase Titania and Their Photovoltaic Application

    Directory of Open Access Journals (Sweden)

    Pavuluri Srinivasu

    2011-01-01

    Full Text Available High surface area titania with crystalline anatase walls has been synthesized using ordered large mesoporous carbon as a template. The pore structure of mesoporous carbon is infiltrated with titanium tetraisopropoxide solution at room temperature and the mixture is subjected to heat treatment at 550oC in presence of air to complete removal of the template. The prepared crystalline anatase frameworks are characterized by XRD, N2 adsorption and HR-TEM. The nitrogen adsorption-desorption analysis of the prepared anatase titania particles exhibits BET specific surface area of 28 m2/g. The dye-sensitized solar cells performance of this anatase titania material has been tested and energy conversion efficiency of 3.0% is achieved under AM 1.5 sunlight. This work reports a new approach for fabrication of nanocrystalline anatase titania by simple hard templating technique for the first time and their applications for dye-sensitized solar cell.

  9. Fabrikasi Dye Sensitized Solar Cell (DSSC Berdasarkan Fraksi Volume TiO2 Anatase-Rutile dengan Garcinia mangostana dan Rhoeo Spathacea sebagai Dye Fotosensitizer

    Directory of Open Access Journals (Sweden)

    Sustia Agustini

    2013-09-01

    Full Text Available Sejak pertama kali dikembangkan, usaha untuk meningkatkan efisiensi Dye Sensitized Solar Cell (DSSC terus dilakukan. Mulai dari pemilihan bahan pewarna, jenis semikonduktor yang digunakan, desain counter elektroda, struktur sandwich atau yang lainnya. Anatase dan rutile adalah fase dari TiO2 yang sering digunakan untuk fabrikasi DSSC. Penelitian ini menggunakan kulit manggis dan Rhoeo spathacea yang diekstrak menggunakan ethanol sebagai pewarna alami yang mengandung antosianin. Pewarna tersebut dikarakterisasi menggunakan UV-Vis dan FTIR, dan menunjukkan absorpsi pada panjang gelombang 392 nm untuk kulit manggis dan 413 nm untuk Rhoeo spathacea. TiO2 disintesis menggunakan metode co-precipitation. Ukuran partikel yang dihasilkan adalah 11 nm untuk anatase and 54,5 nm untuk rutile dengan menggunakan persamaan Scherrer. DSSC difabrikasi dengan variasi fraksi volume TiO2 anatase dan rutile. DSSC diuji dibawah cahaya matahari dengan daya sebesar 17 mW/cm2. Kurva arus-tegangan (I-V DSSC yang dihasilkan fraksi volume 75%:25% memperlihatkan hasil terbaik dibanding yang lain. Efisiensi tertinggi adalah 0.037% dan 0.013% dihasilkan oleh DSSC dengan pewarna alami dari kulit manggis dan Rhoeo spathacea.

  10. Effect of Tb2O3 additive on structure of anatase and photocatalytic activity of TiO2/(O'+β')-Sialon multi-phase ceramics

    Institute of Scientific and Technical Information of China (English)

    YANG Jian; PAN Limei; XUE Xiangxin; WANG Mei; QIU Tai

    2009-01-01

    Effect of rare earth oxide Tb2O3 additive on transformation behavior and grain growth of anatase and photocatalytic activity for TiO2/(O'+β')-Sialon multi-phase ceramic was investigated and the mechanism was discussed. X-ray diffractometer (XRD) was employed for the analysis of phase composition, grain size and lattice parameters of anatase. Photocatalyfic activity of the composites was investigated through its photocatalytic degradation to methylene blue (MB) solution. The results showed that Tb2O3 significantly inhibited the transfor-marion process, which displayed an appreciably intensified effect with increasing Tb203 content. It could be attributed to the coaction of the active and passive influence mechanisms. For Tb3+ entering TiO2 lattice, replacing Ti4+ accelerated the transformation, whereas the lattice distortion caused by it was unfavorable for the process. On the other hand, the redox reaction between Tb3+ and TiO2 as well as the Tb2O3 deposited on the surface of TiO2 inhibited the transformation. The addition of Tb2O3 effectively restrained the grain growth of TiO2 and the effect became significant with the increase of its content. With the increase of Tb2O3 addition, the photocatalytic activity of the catalysts in-creased and then dropped after reaching the maximum at about 2%. The action mechanism of Tb2O3 could be attributed to its optical proper-ties and its effect on phase transformation, grain growth and crystal structure of TiO2.

  11. Photocatalytic degradation of coking wastewater by nanocrystalline (Fe,N) co-doped TiO2 powders

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    The yellowish nitrogen and iron co-doped nanocrystalline titanium dioxide ((Fe,N) co-doped TiO2) powders have been prepared by hydrothermal method using TiOSO4 and CO(NH2)2 as starting materials.The grain size of the synthesized powders was estimated as 11 nm by Scherrer’s method.The UV-Vis diffuse reflectance spectra indicated that the light absorption edge of the powders was red-shifted up to 605 nm.And the doped TiO2 powders exhibited good photocatalytic activities during the photo-degradation of coking wastewater under sunshine irradiation.The biotreatability of the coking wasterwater after photocatalytic degradation was improved greatly and it is more suitable to be further treated by biochemical method.

  12. Dye-sensitized solar cells based on nanocrystalline TiO2 films surface treated with Al3+ ions: photovoltage and electron transport studies.

    Science.gov (United States)

    Alarcón, H; Boschloo, G; Mendoza, P; Solis, J L; Hagfeldt, A

    2005-10-06

    Nanocrystalline TiO2 films, surface modified with Al3+, were manufactured by depositing a TiO2 suspension containing small amounts of aluminum nitrate or aluminum chloride onto conducting glass substrates, followed by drying, compression, and finally heating to 530 degrees C. Electrodes prepared with TiO2 nanoparticles coated with less than 0.3 wt % aluminum oxide with respect to TiO2 improved the efficiency of the dye sensitized solar cell. This amount corresponds to less than a monolayer of aluminum oxide. Thus, the Al ions terminate the TiO2 surface rather than form a distinct aluminum oxide layer. The aluminum ion surface treatment affects the solar cell in different ways: the potential of the conduction band is shifted, the electron lifetime is increased, and the electron transport is slower when aluminum ions are present between interconnected TiO2 particles.

  13. Effect of Annealing on Structure, Morphology, Electrical and Optical Properties of Nanocrystalline TiO2 Thin Films

    Directory of Open Access Journals (Sweden)

    B.T. Raut

    2011-01-01

    Full Text Available Semi-transparent and highly conducting nanostructured titanium oxide thin films have been prepared by sol-gel method. Thin films of TiO2 deposited on glass substrates using spin coating technique and the effect of annealing temperature (400 - 700 °C on structural, microstructural, electrical and optical properties were studied. The X-ray diffraction and Atomic force microscopy measurements confirmed that the films grown by this technique have good crystalline tetragonal mixed anatase and rutile phase structure and homogeneous surface. The study also reveals that the rms value of thin film roughness increases from 7 to 19 nm. HRTEM image of TiO2 thin film (annealed at 700 °C shows that a grain of about 50 - 60 nm in size is really aggregate of many small crystallites of around 10 - 15 nm. Electron diffraction pattern shows that the TiO2 films exhibited tetragonal structure. The surface morphology (SEM of the TiO2 film showed that the nanoparticles are fine with an average grain size of about 50 - 60 nm. The optical band gap slightly decreases from 3.26 - 3.24 eV and the dc electrical conductivity was found in the range of 10-6 to 10-5(Ω·cm-1 when the annealing temperature is changed from 400 to 700 °C. It is observed that TiO2 thin film annealed at 700 °C after deposition provide a smooth and flat texture suited for optoelectronic applications.

  14. Quasi-solid-state nanocrystalline TiO2 solar cells using gel network polymer electrolytes based on polysiloxanes

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    A quasi-solid-state dye-sensitized nanocrystalline porous TiO2 film solar cell was fabricated using a novel gel network polymer electrolyte based on polysiloxanes with both polyethylene oxide internal plasticized side chains and quaternary ammonium groups. The cell exhibited better photoelectrical conversion performance under 60 mW/cm2 irradiation. The short photocurrent (Isc) of 5.0 mA/cm2 and open voltage (Voc) of 0.68 V were achieved, and the energy conversion efficiency (η) and fill factor (ff) were 3.4% and 0.60, respectively.

  15. Interaction of Photoactive[Fe(CN)6]4-with TiO2 Anatase(101) Surface:A Periodic Density Functional Theory Study

    Institute of Scientific and Technical Information of China (English)

    XU Ying; CHEN Wen-Kai; CAO Mei-Juan; LIU Shu-Hong; LI Jun-Qian

    2007-01-01

    The plane-wave pseudopotential function method, based on density-functional theory, has been used to calculate the adsorption, electronic band structures, orbitals and optical absorption spectrum of [Fe(CN)6]4- on TiO2 anatase(101) surface. Our calculations reveal that the surface-modified anatase system has large adsorption energy and a much narrower band gap.[Fe(CN)6]4- adsorption on the (101) surface could lead to a large red shift of the anatase optical absorption threshold, which extends into a visible region significantly. The calculated results are in agreement with the experiment and other theoretical studies reasonably. It is very important for the understanding and further development ofphotovoltaic materials that are active under visible light.

  16. Structural and optical characterization of electrodeposited CdSe in mesoporous anatase TiO2 for regenerative quantum-dot-sensitized solar cells.

    Science.gov (United States)

    Sauvage, Frédéric; Davoisne, Carine; Philippe, Laetitia; Elias, Jamil

    2012-10-05

    We investigated CdSe-sensitized TiO(2) solar cells by means of electrodeposition under galvanostatic control. The electrodeposition of CdSe within the mesoporous film of TiO(2) gives rise to a uniform, thickness controlled, conformal layer of nanostructured CdSe particles intimately wrapping the anatase TiO(2) nanoparticles. This technique has the advantage of providing not only a fast method for sensitization ( panels. XRD together with SAED analysis highlight that the deposit of CdSe is exclusively constituted of the hexagonal polymorph. In addition, hierarchical growth has also been shown, starting from the formation of a TiO(2)-CdSe core-shell structure followed by the growth of an assembly of CdSe nanoparticles resembling cauliflowers. This assembly exhibits at its core a mosaic texture with crystallites of about 3 nm in size, in contrast to a shell composed of well-crystallized single crystals between 5 and 10 nm in size. Preliminary results on the photovoltaic performance of such a nanostructured composite of TiO(2) and CdSe show 0.8% power conversion efficiency under A.M.1.5 G conditions-100 mW cm(-2) in association with a new regenerative redox couple based on cobalt(+III/+II) polypyridil complex (V(oc ) = 485 mV, J(sc ) = 4.26 mA cm (-2), ff=0.37).

  17. A one-step thermal decomposition method to prepare anatase TiO2 nanosheets with improved adsorption capacities and enhanced photocatalytic activities

    Science.gov (United States)

    Li, Wenting; Shang, Chunli; Li, Xue

    2015-12-01

    Anatase TiO2 nanosheets (NSs) with high surface area have been prepared via a one-step thermal decomposition of titanium tetraisopropoxide (TTIP) in oleylamine (OM), and their adsorption capacities and photocatalytic activities are investigated by using methylene blue (MB) and methyl orange (MO) as model pollutants. During the synthesis procedure, only one type of surfactant, oleylamine (OM), is used as capping agents and no other solvents are added. Structure and properties of the TiO2 NSs were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), N2 adsorption analysis, UV-vis spectrum, X-ray photoelectron spectroscopy (XPS) and Photoluminescence (PL) methods. The results indicate that the TiO2 NSs possess high surface area up to 378 m2 g-1. The concentration of capping agents is found to be a key factor controlling the morphology and crystalline structure of the product. Adsorption and photodegradation experiments reveal that the prepared TiO2 NSs possess high adsorption capacities of model pollutants MB and high photocatalytic activity, showing that TiO2 NSs can be used as efficient pollutant adsorbents and photocatalytic degradation catalysts of MB in wastewater treatment.

  18. Nanocrystalline TiO2 Powder Prepared by Sol-Gel Method for Dye-Sensitized Solar Cells

    Directory of Open Access Journals (Sweden)

    Dobrzański L. A.

    2016-06-01

    Full Text Available In this study titanium dioxide nanopowder has been manufactured and examined. Nanocrystalline TiO2 powder has been obtained by hydrolysis and peptization of a solution of titanium isopropoxide and isopropanol. Subsequently, produced powder has been subjected to structural analysis by using a transmission electron microscope, X-ray diffractometer, and Raman spectrometer. For comparison purposes, a commercially available titanium dioxide powder (i.e. titanium white was also used. Thin layers have been made from this powder and further have been examined by using a UV/VIS spectrometer. Completed research shows the nanocrystalline structure of obtained layers and their good properties such as absorbance at the range of wavelength equal 200 - 1000 nm.

  19. Origin of the Enhanced Visible-Light Absorption in N-Doped Bulk Anatase TiO 2 from First-Principles Calculations

    KAUST Repository

    Harb, M.

    2011-10-06

    Extension of the absorption properties of TiO2 photocatalytic materials to the visible part of the solar spectrum is of major importance for energy and cleaning up applications. We carry out a systematic study of the N-doped anatase TiO2 material using spin-polarized density functional theory (DFT) and the range-separated hybrid HSE06 functional. The thermodynamic stability of competitive N-doped TiO2 structural configurations is studied as a function of the oxygen chemical potential and of various chemical doping agents: N2, (N2 + H2), NH3, N2H4. We show that the diamagnetic TiO (2-3x)N2x system corresponding to a separated substitutional N species (with 2-4% N impurities) and formation of one-half concentration of O vacancies (1-2 atom %) is an optimal configuration thermodynamically favored by NH3, N2H4, and (N2 + H2) chemical doping agents presenting a dual nitrating-reducing character. The simulated UV-vis absorption spectra using the perturbation theory (DFPT) approach demonstrates unambiguously that the diamagnetic TiO(2-3x)N2x system exhibits the enhanced optical absorption in N-doped TiO2 under visible-light irradiation. Electronic analysis further reveals a band gap narrowing of 0.6 eV induced by delocalized impurity states located at the top of the valence band of TiO 2. A fruitful comparison with experimental data is furnished. © 2011 American Chemical Society.

  20. Ultrafast-Charging and Long-Life Li-Ion Battery Anodes of TiO2-B and Anatase Dual-Phase Nanowires.

    Science.gov (United States)

    Li, Kaikai; Li, Baohua; Wu, Junxiong; Kang, Feiyu; Kim, Jang-Kyo; Zhang, Tong-Yi

    2017-10-06

    Ideal lithium-ion batteries (LIBs) should possess a high power density, be charged extremely fast (e.g., 100C), and have a long service life. To achieve them all, all battery components, including anodes, cathodes, and electrolytes should have excellent structural and functional characteristics. The present work reports ultrafast-charging and long-life LIB anodes made from TiO2-B/anatase dual-phase nanowires. The dual-phase nanowires are fabricated with anatase TiO2 nanoparticles through a facile and cost-effective hydrothermal process, which can be easily scaled up for mass production. The anodes exhibit remarkable electrochemical performance with reversible capacities of ∼225, 172, and 140 mAh g(-1) at current rates of 1C, 10C, and 60C, respectively. They deliver exceptional capacity retention of not less than 126 and 93 mAh g(-1) after 1000 cycles at 60C and 100C, respectively, potentially worthwhile for high-power applications. These values are among the best when the high-rate capabilities are compared with the literature data for similar TiO2-based anodes. The Ragone plot confirms both the exceptionally high energy and power densities of the devices prepared using the dual-phase nanowires. The electrochemical tests and operando Raman spectra present fast electrochemical kinetics for both Li(+) and electron transports in the TiO2 dual-phase nanowires than in anatase nanoparticles due to the excellent Li(+) diffusion coefficient and electronic conductivity of nanowires.

  1. New insight into the enhanced visible-light photocatalytic activities of B-, C- and B/C-doped anatase TiO2 by first-principles.

    Science.gov (United States)

    Yu, Jiaguo; Zhou, Peng; Li, Qin

    2013-08-07

    The geometry structures, formation energies and electronic properties of the B-, C- and B/C-doped anatase TiO2 were investigated by the density functional theory (DFT) calculations of first-principles. The results indicated that the visible-light absorption and photocatalytic activities of the B-, C- and B/C-doped anatase TiO2 were not only influenced by the energy gaps (Eg) and the distributions of impurity states, but also affected by the locations of Fermi levels (EF) and the energies of the edges of band gaps (Ev for the top of valence bands and Ec for the bottom of conduction bands). However, the above four factors changed with the doped models of TiO2. The impurity states in the band gaps reduced the maximum energy gaps in the band gaps, which is responsible for the absorption of visible light. The Fermi levels at the bottom of conduction bands indicated the existence of Ti(3+) ions, which enhanced the separation rates of photogenerated electrons and holes. Further, the energies of the edges of band gaps, determining the dominant types of oxidants (O2(-), hole, ˙OH) in the photocatalytic degradation, were discussed. Moreover, the stability of the doped TiO2 depended on its growth conditions (O-rich or Ti-rich environment). The O-rich growth condition is beneficial to the substitutional B and C atoms to Ti atoms, while the Ti-rich growth condition is favorable to the other doped TiO2 including the most stable co-doped TiO2 with the interstitial B atom and the substitutional C atom to O atom. In addition, our results also showed that the B/C-doped TiO2 inherited the partial electronic properties of single-doped TiO2, but also exhibited many new electronic properties, implying that the electronic properties of co-doped systems are not a mechanical mixture of those of both single-doped systems.

  2. Characterisation, phase stability and surface chemical properties of photocatalytic active Zr and Y co-doped anatase TiO2 nanoparticles

    Science.gov (United States)

    Mattsson, Andreas; Lejon, Christian; Bakardjieva, Snejana; Štengl, Vaclav; Österlund, Lars

    2013-03-01

    We report on the characterization, phase stability, surface chemical and photocatalytic properties of Zr and Y co-doped anatase TiO2 nanoparticles prepared by homogenous hydrolysis methods using urea as precipitating agent. The materials were analyzed by scanning electron microscopy, X-ray diffraction, Raman spectroscopy, BET isotherm and BJH pore size distribution measurements. It is shown that Y and Zr ions replace Ti ions in the anatase TiO2 structures up to a critical total dopant concentration of approximately 13 wt%. The co-doped particles show increased phase stability compared to pure anatase TiO2 nanoparticles. The anatase to rutile phase transformation is shown to be preceded by cation segregation and dissolution with concomitant precipitation of Y2Ti2-xZrxO7 and ZrTiO4. Co-doping modifies the optical absorption edge with a resulting attenuation of the Urbach tail. The band gap is slightly blue-shifted at high doping concentrations, and red shifted at lower doping concentrations. Formic acid adsorption was used as a probe molecule to investigate surface chemical properties and adsorbate structures. It was found that the relative abundance of monodentate formate compared to bidentate coordinated formate decreases with increasing doping concentration. This is attributed to an increased surface acidity with increasing dopant concentration. Photodegradation of formic acid occurred on all samples. With mode-resolved in situ FTIR spectroscopy it is shown that the rate of photodegradation of monodentate formate species are higher than for bidentate formate species. Thus our results show that the trend of decreasing photo-degradation rate with increasing dopant concentration can be explained by the adsorbate structure, which is controlled by the acidity of the surface.

  3. Acid-assisted hydrothermal synthesis of nanocrystalline TiO2 from titanate nanotubes: influence of acids on the photodegradation of gaseous toluene.

    Science.gov (United States)

    Chen, Kunyang; Zhu, Lizhong; Yang, Kun

    2015-01-01

    In order to efficiently remove volatile organic compounds (VOCs) from indoor air, one-dimensional titanate nanotubes (TiNTs) were hydrothermally treated to prepare TiO2 nanocrystals with different crystalline phases, shapes and sizes. The influences of various acids such as CH3COOH, HNO3, HCl, HF and H2SO4 used in the treatment were separately compared to optimize the performance of the TiO2 nanocrystals. Compared with the strong and corrosive inorganic acids, CH3COOH was not only safer and more environmentally friendly, but also more efficient in promoting the photocatalytic activity of the obtained TiO2. It was observed that the anatase TiO2 synthesized in 15 mol/L CH3COOH solution exhibited the highest photodegradation rate of gaseous toluene (94%), exceeding that of P25 (44%) by a factor of more than two. The improved photocatalytic activity was attributed to the small crystallite size and surface modification by CH3COOH. The influence of relative humidity (20%-80%) on the performance of TiO2 nanocrystals was also studied. The anatase TiO2 synthesized in 15 mol/L CH3COOH solution was more tolerant to moisture than the other TiO2 nanocrystals and P25. Copyright © 2014. Published by Elsevier B.V.

  4. Electrochemical Behavior of TiO2 Nanoparticle Doped WO3 Thin Films

    Directory of Open Access Journals (Sweden)

    Suvarna R. Bathe

    2014-01-01

    Full Text Available Nanoparticle TiO2 doped WO3 thin films by pulsed spray pyrolysis technique have been studied on fluorine tin doped (FTO and glass substrate. XRD shows amorphous nature for undoped and anatase phase of TiO2 having (101 plane for nanoparticle TiO2 doped WO3 thin film. SEM shows microfibrous reticulated porous network for WO3 with 600 nm fiber diameter and nanocrystalline having size 40 nm for TiO2 nanoparticle doped WO3 thin film. TiO2 nanoparticle doped WO3 thin film shows ~95% reversibility due to may be attributed to nanocrystalline nature of the film, which helpful for charge insertion and deinsertion process. The diffusion coefficient for TiO2 nanoparticle doped WO3 film is less than undoped WO3.

  5. A New Heteroleptic Biquinoline Ruthenium(II Sensitizer for Near-IR Sensitization of Nanocrystalline TiO2

    Directory of Open Access Journals (Sweden)

    Surya Prakash Singh

    2013-01-01

    Full Text Available Ruthenium(II complex containing cis-[Ru(H2dcbiq(L(NCS2], where H2dcbiq = 4,4′-dicarboxy-2,2′-biquinoline and L = 4,4′-di-tert-butyl-2-2′-dipyridyl coded as SPS-02, was synthesized and fully characterized. This complex showed appreciably broad absorption range. The new complex was used as photosensitizer in nanocrystalline TiO2 dye-sensitized solar cell application. cis-[Ru(H2dcbiq(L(NCS2] (SPS-02 achieved efficient sensitization of nanocrystalline TiO2 over the whole visible range, extending into the near-IR region (ca. 1000 nm with superior short-circuit photocurrent density ( = 9.13 mA cm−2 and conversion efficiency (η = 2.09% compared with complex cis-[Ru(H2dcbiq2(NCS2] (1 under an irradiation of full sunlight (100 mW cm−2.

  6. Phase transformation of nanocrystalline anatase powders during high energy planetary ball milling

    Institute of Scientific and Technical Information of China (English)

    潘晓燕; 陈怡; 马学鸣; 朱丽慧

    2003-01-01

    The microstructure evolution of nanocrystalline anatase during high energy planetary milling was studied by X-ray diffraction and transmission electron microscopy. The results show that mechanical activation induces the transformations from anatase to srilankite and rutile at room temperature and under ambient pressure, which should primarily be attributed to the rise of local temperature and pressure at the collision sites of the powders and the balls. In addition, the additional energy caused by defects, lattice distortion and the refinement of the crystallite is responsible for the transformations. As milling time increases, anatase phase content reduces and the amounts of both srilankite and rutile phase increase. And the transformation from srilankite to rutile phase takes place by further milling. In anatase phase, the crystallite size decreases and lattice strain rises with milling time. There is no indication of the formation of amorphous phase during milling.

  7. Spectroelectrochemical studies of hole percolation on functionalised nanocrystalline TiO2 films: a comparison of two different ruthenium complexes.

    Science.gov (United States)

    Li, Xiaoe; Nazeeruddin, Mohammad K; Thelakkat, Mukundan; Barnes, Piers R F; Vilar, Ramón; Durrant, James R

    2011-01-28

    We report the application of spectroelectrochemical techniques to compare the hole percolation dynamics of molecular networks of two ruthenium bipyridyl complexes adsorbed onto mesoporous, nanocrystalline TiO(2) films. The percolation dynamics of the ruthenium complex cis-di(thiocyanato)(2,2'-bipyridyl-4,4'-dicarboxylic acid)-(2,2'-bipyridyl-4,4'-tridecyl) ruthenium(II), N621, is compared with those observed for an analogous dye with an additional tri-phenyl amine (TPA) donor moiety, cis-di(thiocyanato)(2,2'-bipyridyl-4,4'-dicarboxylic acid)-(2,2'-bipyridyl-4,4'-bis(vinyltriphenylamine)) ruthenium(II), HW456. The in situ oxidation of these ruthenium complexes adsorbed to the TiO(2) films is monitored by cyclic voltammetry and voltabsorptometry, whilst the dynamics of hole (cation) percolation between adsorbed ruthenium complexes is monitored by potentiometric spectroelectrochemistry and chronoabsorptometry. The hole diffusion coefficient, D(eff), is shown to be dependent on the dye loading on the nanocrystalline TiO(2) film, with a threshold observed at ∼60% monolayer surface coverage for both dyes. The hole diffusion coefficient of HW456 is estimated to be 2.6 × 10(-8) cm(2)/s, 20-fold higher than that obtained for the control N621, attributed to stronger electronic coupling between the TPA moieties of HW456 accelerating the hole percolation dynamics. The presence of mercuric ions, previously shown to bind to the thiocyanates of analogous ruthenium complexes, resulted in a quenching of the hole percolation for N621/TiO(2) films and an enhancement for HW456/TiO(2) films. These results strongly suggest that the hole percolation pathway is along the overlapped neighbouring -NCS groups for the N621 molecules, whereas in HW456 molecules cation percolation proceeds between intermolecular TPA ligands. These results are discussed in the context of their relevance to the process of dye regeneration in dye sensitised solar cells, and to the molecular wiring of wide

  8. (0 0 1) Facet-exposed anatase-phase TiO2 nanotube hybrid reduced graphene oxide composite: Synthesis, characterization and application in photocatalytic degradation

    Science.gov (United States)

    Zhou, Xun; Shi, Tiejun; Wu, Jing; Zhou, Haiou

    2013-12-01

    Reduced graphene oxide (RGO) and TiO2 nanotube (TNT) with (0 0 1) facet-exposed anatase phase are covalently bonded together to synthesize TNT hybrid RGO (RGO-TNT) through consecutive process such as hydrothermal reaction, HCl washing, lyophilization and heat treatment with graphene oxide (GO), TiO2 powder and high concentration NaOH solution as the starting materials. The TNT with the diameter between 10 and 20 nm characterized by high resolution transmission electron microscopy (HRTEM) is in anatase phase proven by X-ray diffraction (XRD) and HRTEM. Additionally, the more active (0 0 1) facet is exposed identified by HRTEM. More significantly, TNT is bridged to RGO by Csbnd Ti bond by the measurement of X-ray photoelectron spectroscopy (XPS). The photoluminescence (PL) spectra has testified that RGO in RGO-TNT can transfer and accept photoelectrons from TNT. The photocatalytic activity of RGO-TNT for degrading methylene blue (MB) is enhanced by contrast with pure TNT, and changeable by adjusting the mass ratios of GO to TiO2 powder. Simultaneously, lyophilization is benefit for maintaining the high active surface area of RGO-TNT, which is deeply in relationship with a higher photocatalytic activity. After four running cycles of photocatalytic degradation, RGO-TNT has shown a high stability and perfect reproducibility.

  9. Hydrothermal fabrication of quasi-one-dimensional single-crystalline anatase TiO2 nanostructures on FTO glass and their applications in dye-sensitized solar cells.

    Science.gov (United States)

    Liao, Jin-Yun; Lei, Bing-Xin; Wang, Yu-Fen; Liu, Jun-Min; Su, Cheng-Yong; Kuang, Dai-Bin

    2011-01-24

    One-dimensional and quasi-one-dimensional semiconductor nanostructures are desirable for dye-sensitized solar cells (DSSCs), since they can provide direct pathways for the rapid collection of photogenerated electrons, which could improve the photovoltaic performance of the device. Quasi-1D single-crystalline anatase TiO(2) nanostructures have been successfully prepared on transparent, conductive fluorine-doped tin oxide (FTO) glass with a growth direction of [101] through a facile hydrothermal approach. The influences of the initial titanium n-butoxide (TBT) concentration, hydrothermal reaction temperature, and time on the length of quasi-1D anatase TiO(2) nanostructures and on the photovoltaic performance of DSSCs have been investigated in detail. A power conversion efficiency of 5.81% has been obtained based on the prepared TiO(2) nanostructure photoelectrode 6.7 μm thick and commercial N719 dye, with a short-circuit current density of 13.3 mA cm(-2) , an open-circuit voltage of 810 mV, and a fill factor of 0.54. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Synthesis of mesoporous anatase TiO2 nanotubes by a hydrothermal treatment and their use in solid-state dye-sensitized solar cells.

    Science.gov (United States)

    Seo, Min-Kang; Park, Soo-Jin

    2011-05-01

    Mesoporous anatase TiO2 nanotubes (NTs) with the diameter of about 7 12 nm and the length of several hundred nanometers were synthesized by a hydrothermal method on commercial TiO2 particles in NaOH followed by HCI washing. The samples were characterized by X-ray diffraction (XRD), transmitting electron microscopy (TEM), and Brunauer-Emmet-Teller (BET) measurements. The hydrothermal treatment temperature at 130 degrees C was shown to affect not only the extent of particle-to-sheet conversion, and thus the resulting structures of the NTs, but also the anatase-to-rutile transformation. The surface area of the NTs was 200 m2g(-1). This value was much higher in comparison to TiO2 nanoparticles of 50 m2g(-1). It was also found that the NT photoelectrodes had a pronounced impact on the performance of solar cells as compared to nanoparticle ones. This was probably due to lead to a significantly higher specific dye loading and, for certain hydrothermal treatments, resulting in a doubling of the solar cell efficiency (in our case from 2.84% to 4.03% of AM 1.5 conditions).

  11. Probing the charge recombination in rGO decorated mixed phase (anatase-rutile TiO2 multi-leg nanotubes

    Directory of Open Access Journals (Sweden)

    Y. Rambabu

    2016-11-01

    Full Text Available Recombination of photo-generated charges is one of the most significant challenges in designing efficient photo-anode for photo electrochemical water oxidation. In the case of TiO2, mixed phase (anatase-rutile junctions often shown to be more effective in suppressing electron-hole recombination compared to a single (anatase or rutile phase. Here, we report the study of bulk and surface recombination process in TiO2 multi-leg nanotube (MLNTs anatase-rutile (A-R junctions decorated with reduced graphene oxide (rGO layers, through an analysis of the photo-current and impedance characteristics. To quantify the charge transport/transfer process involved in these junctions, holes arriving at the interface of semiconductor/electrolyte were collected by adding H2O2 to the electrolyte. This enabled us to interpret the bulk and surface recombination process involved in anatase/rutile/rGO junctions for photo-electrochemical water oxidation. We correlated this quantification to the electrochemical impedance spectroscopy (EIS measurements, and showed that in anatase/rutile junction the increase in PEC performance was due to suppression in electron-hole recombination rate at the surface states that effectively enhances the hole transfer rate to the electrolyte. On the other hand, in rGO wrapped A-R MLNTs junction it was due to both phenomenon i.e decrease in bulk recombination rate as well as increase in hole transfer rate to the electrolyte at the semiconductor/electrolyte interface.

  12. New insights into the origin of visible-light photocatalytic activity in Se-modified anatase TiO2 from screened coulomb hybrid DFT calculations

    KAUST Repository

    Harb, Moussab

    2013-12-05

    We report a systematic study on the optoelectronic properties of Se-modified anatase TiO2 investigated by DFT (including the perturbation theory approach DFPT) within the screened coulomb hybrid HSE06 formalism to guarantee accurate band gap and electronic excitation predictions. Various selenium species at substitutional sites for O or Ti, at interstitial sites, as well as at mixed substitutional/interstitial sites are studied. Among the explored structures, Ti(1-2x)O2Se2x (containing Se4+ species), TiO(2-x)Sex (containing Se2- species), and TiO(2-x)Se2x (containing Se2 2- species) reveal significant enhanced visible-light optical absorption spectra with new absorption features appearing at 500, 600, and 690 nm, respectively. Our calculated spectra are found to be in good agreement with those obtained in available experimental works. The band gap narrowing in these materials originates from incorporation of newly occupied electronic levels within 0.5-1.5 eV above the original valence band of TiO 2, leading to new narrowed band gaps of 2.5, 2.0, and 1.8 eV respectively. Our calculations also reveal suitable band positions of Ti (1-2x)O2Se2x and TiO(2-x)Se x for overall water splitting, whereas TiO(2-x)Se 2x shows an unsuitable valence band position for the oxygen evolution reaction. In contrast, the localized electronic character of the new occupied states on the Se 4p orbitals and only on the O 2p orbitals linked to the Se species makes the holes mobility limited in this material and the recombination rate of charge carriers greatly increased in the bulk. © 2013 American Chemical Society.

  13. Nanocrystalline Anatase Titania Supported Vanadia Catalysts: Facet-dependent Structure of Vanadia

    Energy Technology Data Exchange (ETDEWEB)

    Li, Wei-Zhen; Gao, Feng; Li, Yan; Walter, Eric D.; Liu, Jun; Peden, Charles HF; Wang, Yong

    2015-07-09

    Titania supported vanadia, a classic heterogeneous catalyst for redox reactions, typically has nonhomogeneous vanadia species on various titania facets, making it challenging not only to determine and quantify each species but also to decouple their catalytic contributions. We prepared truncated tetragonal bipyramidal (TiO2-TTB) and rod-like (TiO2-Rod) anatase titania with only {101} and {001} facets at ratios of about 80:20 and 93:7, respectively, and used them as supports of sub-monolayer vanadia. The structure and redox properties of supported vanadia were determined by XRD, TEM, XPS, EPR, Raman, FTIR and TPR, etc. It was found that vanadia preferentially occupy TiO2 {001} facets and form isolated O=V4+(O-Ti)2 species, and with further increase in vanadia surface coverage, isolated O=V5+(O-Ti)3 and oligomerized O=V5+(O-M)3 (M = Ti or V) species form on TiO2 {101} facets. The discovery on support facet-dependent structure of vanadia on anatase titania is expected to enable the elucidation of structure-function correlations on high surface area TiO2 supported vanadia catalysts. This work was supported by U. S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Biosciences and Geosciences. The research was performed in the Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the DOE Office of Biological and Environmental Research, and located at Pacific Northwest National Laboratory (PNNL). PNNL is operated for DOE by Battelle.

  14. Neodymium-Doped TiO2 with Anatase and Brookite Two Phases: Mechanism for Photocatalytic Activity Enhancement under Visible Light and the Role of Electron

    Directory of Open Access Journals (Sweden)

    Douga Nassoko

    2012-01-01

    Full Text Available Titanium dioxide (TiO2 doped with neodymium (Nd, one rare earth element, has been synthesized by a sol-gel method for the photocatalytic degradation of rhodamine-B under visible light. The prepared samples are characterized by X-ray diffractometer, Raman spectroscopy, UV-Vis diffuse reflectance spectroscopy, X-ray photoelectron spectroscopy, and Brunauer-Emmett-Teller measurement. The results indicate that the prepared samples have anatase and brookite phases. Additionally, Nd as Nd3+ may enter into the lattice of TiO2 and the presence of Nd3+ substantially enhances the photocatalytic activity of TiO2 under visible light. In order to further explore the mechanism of photocatalytic degradation of organic pollutant, photoluminescence spectrometer and scavenger addition method have been employed. It is found that hydroxide radicals produced by Nd-doped TiO2 under visible light are one of reactive species for Rh-B degradation and photogenerated electrons are mainly responsible for the formation of the reactive species.

  15. Photocatalytic degradation of phenanthrene on soft surfaces in the presence of nanometer anatase TiO2 under UV-light

    Institute of Scientific and Technical Information of China (English)

    Jiali Gu; Dianbo Dong; Lingxue Kong; Yong Zheng; Xiaojun Li

    2012-01-01

    The effect of nanometer anatasc TiO2 was investigated on the photocatalytic degradation of phcnanthrene on soil surfaces under a variety of conditions.After being spiked with phenanthrene,soil samples loaded with different amounts of TiO2 (0 wt.%,1 wt.%,2wt.%,3 wt.%,and 4 wt.%) were exposed to UV-light irradiation for 25 hr.The results indicated that the photocatalytic degradation of phenanthrene followed the pseudo first-order kinetics.TiO2 significantly accelerated the degradation of phenanthrene with the half-life reduced from 45.90 to 31.36 hr for TiO2 loading of 0 wt.% and 4 wt.%,respectively.In addition,the effects of H2O2,light intensity and humie acid on the degradation of phenanthrene were investigated.The degradation of phenanthrene increased with the concentration of H2O2,light intensity and the concentration of humic acids.It has been demonstrated that the photocatalytic method in the presence of nanometer anatase TiO2 was a very promising technology for the treatments of soil polluted with organic substances in the future.

  16. High performance, environmentally friendly and low cost anodes for lithium-ion battery based on TiO 2 anatase and water soluble binder carboxymethyl cellulose

    Science.gov (United States)

    Mancini, M.; Nobili, F.; Tossici, R.; Wohlfahrt-Mehrens, M.; Marassi, R.

    The challenge of producing lithium-ion batteries meeting performance requirements and low environmental impact is strictly related to the choice of materials as well as to the manufacturing processes. Most electrodes are currently prepared using poly(vinilydene fluoride) (PVDF) as binder. This fluorinated polymer is expensive and requires the use of a volatile and toxic organic solvent such as N-methyl-pyrrolidone (NMP) in the processing. Water soluble sodium carboxymethyl cellulose (CMC) can be a suitable substitute for PVDF as binder for both anodes and cathodes eliminating the necessity of NMP and thus decreasing the cost and the environmental impact of battery production. In this work, CMC has been successfully used to prepare efficient and stable anatase TiO 2 anodes by optimizing the electrode manufacturing process in terms of composition and compression. The stability and the high rate performances of the TiO 2/CMC are described and compared with those of TiO 2/PVDF electrodes. The compatibility of the TiO 2/CMC with a LiFePO 4 cathode in a full-cell is also reported.

  17. Visible-light photocatalytic properties of Mo-C codoped anatase TiO2 films prepared by magnetron sputtering

    Science.gov (United States)

    Zhe-Peng, Zhang; Biao, Yu; Hai-Bo, Fan; Xin-Liang, Zheng; He-Bao, Yao

    2015-12-01

    A range of different contents of Mo-C codoped TiO2 films were sputtered by using home-made Mo-C codoped TiO2 targets, which were sintered by mixing the Mo2C and TiO2 powder with different mole ratio. We found that the Mo and C ions were successfully incorporated into the lattice of TiO2 films. As a result, the band gap of TiO2 was reduced and the visible-light photocatalytic property was enhanced. The photocatalytic performance of Mo-C codoped TiO2 films was strictly relevant with the band gap and there was a best codoping concentration of 0.01% for the TiO2 film, which processed the smallest band gap and the best photocatalytic property. If the codoping concentration increased, the photocatalytic performance decreased dramatically. Our results suggest that sputtering technique is a convenient method to prepare Mo-C codoped TiO2 films with tunable doping content and high photocatalytic performance.

  18. A new preparation of doped photocatalytic TiO2 anatase nanoparticles: a preliminary study for the removal of pollutants in confined museum areas

    Science.gov (United States)

    Greco, Enrico; Ciliberto, Enrico; Cirino, Antonio M. E.; Capitani, Donatella; Di Tullio, Valeria

    2016-05-01

    The use of nanotechnology in conservation is a relatively new concept. Usually, classical cleanup methods take into account the use of other chemicals: On the one hand they help the environment destroying pollutants, but on the other hand they often become new pollutants. Among the new oxidation methods called advanced oxidation processes, heterogeneous photocatalysis has appeared an emerging technology with several economic and environmental advantages. A new sol-gel method of synthesis of TiO2 anatase is reported in this work using lithium and cobalt (II) salts. The activation energy of the doped photocatalyst was analyzed by solid-state UV-Vis spectrophotometer. The mobility of Li ions on TiO2 NPs surface was studied by 7Li MAS NMR spectroscopy. Use of doped nanotitania is suggested from authors for the removal of pollutants in confined areas containing goods that must be preserved from decomposition and aging phenomena.

  19. Effect of Electronegativity and Charge Balance on the Visible-Light-Responsive Photocatalytic Activity of Nonmetal Doped Anatase TiO2

    Directory of Open Access Journals (Sweden)

    Jibao Lu

    2012-01-01

    Full Text Available The origin of visible light absorption and photocatalytic activity of nonmetal doped anatase TiO2 were investigated in details in this work based on density functional theory calculations. Our results indicate that the electronegativity is of great significance in the band structures, which determines the relative positions of impurity states induced by the doping species, and further influences the optical absorption and photocatalytic activities of doped TiO2. The effect of charge balance on the electronic structure was also discussed, and it was found that the charge-balance structures may be more efficient for visible light photocatalytic activities. In addition, the edge positions of conduction band and valence band, which determine the ability of a semiconductor to transfer photoexcited electrons to species adsorbed on its surface, were predicted as well. The results may provide a reference to further experimental studies.

  20. Ellipsoidal TiO2 hierarchitectures with enhanced photovoltaic performance.

    Science.gov (United States)

    Peng, Wenqin; Yanagida, Masatoshi; Chen, Han; Han, Liyuan

    2012-04-23

    Hierarchical TiO(2) ellipsoids 250-500 nm in size have been synthesized on a large scale by a template-free hydrothermal route. The submicrometer-sized hierarchitectures are assembled from highly crystallized anatase nanorods about 17 nm in diameter with macroporous cavities on the outer shells. Based on the time-dependent morphological evolution under hydrothermal conditions, an oriented attachment process is proposed to explain formation of the hierarchical structures. Such hierarchical TiO(2) not only adsorbs large amounts of dye molecules due to high surface area, but also shows good light scattering caused by the submicrometer size. The TiO(2) hierarchitectures were deposited on top of a transparent TiO(2) nanocrystalline main layer to construct a double-layered photoanode for dye-sensitized solar cell (DSC) application, exhibiting enhanced light harvesting and power-conversion efficiency compared to a commercial TiO(2)-based electrode.

  1. A spectroscopic study of dyes decomposition by irradiated nanocrystalline TiO2

    Science.gov (United States)

    Rosu, M. C.; Suciu, R. C.; Kasco, I.; Dreve, S. V.; Indrea, E.; Silipas, T. D.

    2009-08-01

    The photocatalytic activity of the TiO2 films prepared by wet-chemical techniques and deposited on the ITO glass was tested by examining the decomposition of violet gentian (VG), methylen blue (MB) and methyl green (MG) aqueous solutions under UV light illumination. The photodegradation processes of dyes have been studied using UV-VIS spectrophotometry and spectrofluorimetry. The comparative results of the present study demonstrate the capability of UV irradiation of the TiO2/ITO photocatalytic system to degrade studied organic dyes from aqueous solutions.

  2. Doping anatase TIO_{2} with group V-b and VI-b transition metal atoms : a hybrid functional first-principles study

    OpenAIRE

    Matsubara, Masahiko; Saniz, Rolando; Partoens, Bart; Lamoen, Dirk

    2017-01-01

    Abstract: We investigate the role of transition metal atoms of group V-b (V, Nb, and Ta) and VI-b (Cr, Mo, and W) as n- or p-type dopants in anatase TiO2 using thermodynamic principles and density functional theory with the HeydScuseriaErnzerhof HSE06 hybrid functional. The HSE06 functional provides a realistic value for the band gap, which ensures a correct classification of dopants as shallow or deep donors or acceptors. Defect formation energies and thermodynamic transition levels are calc...

  3. Green synthesis of anatase TiO(2) nanocrystals with diverse shapes and their exposed facets-dependent photoredox activity.

    Science.gov (United States)

    Roy, Nitish; Park, Yohan; Sohn, Youngku; Leung, Kam Tong; Pradhan, Debabrata

    2014-10-08

    The exposed facets of a crystal are known to be one of the key factors to its physical, chemical and electronic properties. Herein, we demonstrate the role of amines on the controlled synthesis of TiO2 nanocrystals (NCs) with diverse shapes and different exposed facets. The chemical, physical and electronic properties of the as-synthesized TiO2 NCs were evaluated and their photoredox activity was tested. It was found that the intrinsic photoredox activity of TiO2 NCs can be enhanced by controlling the chemical environment of the surface, i.e.; through morphology evolution. In particular, the rod shape TiO2 NCs with ∼25% of {101} and ∼75% of {100}/{010} exposed facets show 3.7 and 3.1 times higher photocatalytic activity than that of commercial Degussa P25 TiO2 toward the degradation of methyl orange and methylene blue, respectively. The higher activity of the rod shape TiO2 NCs is ascribed to the facetsphilic nature of the photogenerated carriers within the NCs. The photocatalytic activity of TiO2 NCs are found to be in the order of {101}+{100}/{010} (nanorods) > {101}+{001}+{100}/{010} (nanocuboids and nanocapsules) > {101} (nanoellipsoids) > {001} (nanosheets) providing the direct evidence of exposed facets-depended photocatalytic activity.

  4. Enhanced dye-sensitized solar cells performance using anatase TiO2 mesocrystals with the Wulff construction of nearly 100% exposed {101} facets as effective light scattering layer.

    Science.gov (United States)

    Zhou, Yu; Wang, Xinyu; Wang, Hai; Song, Yeping; Fang, Liang; Ye, Naiqing; Wang, Linjiang

    2014-03-28

    Anatase TiO2 mesocrystals with a Wulff construction of nearly 100% exposed {101} facets were successfully synthesized by a facile, green solvothermal method. Their morphology, and crystal structure are characterized by powder X-ray diffraction (XRD), Field emission scanning electron microscopy (FESEM) and high-resolution transmission electron microscopy (HRTEM). Accordingly, a possible growth mechanism of anatase TiO2 mesocrystals is elucidated in this work. The as-prepared single anatase TiO2 mesocrystal's mean center diameter is about 500 nm, and the length is about 1 μm. They exhibit high light adsorbance, high reflectance and low transmittance in the visible region due to the unique nearly 100% exposed {101} facets. When utilized as the scattering layer in dye-sensitized solar cells (DSSCs), such mesocrystals effectively enhanced light harvesting and led to an increase of the photocurrent of the DSSCs. As a result, by using an anatase TiO2 mesocrystal film as a scattering overlayer of a compact commercial P25 TiO2 nanoparticle film, the double layered DSSCs show a power conversion efficiency of 7.23%, indicating a great improvement compared to the DSSCs based on a P25 film (5.39%) and anatase TiO2 mesocrystal films, respectively. The synergetic effect of P25 and the mesocrystals as well as the latters unique feature of a Wulff construction of nearly 100% exposed (101) facets are probably responsible for the enhanced photoelectrical performance. In particular, we explore the possibility of the low surface area and exposed {101} facets as an efficient light scattering layer of DSSCs. Our work suggests that anatase TiO2 mesocrystals with the Wulff construction is a promising candidate as a superior scattering material for high-performance DSSCs.

  5. Excellent photocatalytic degradation activities of ordered mesoporous anatase TiO2-SiO2 nanocomposites to various organic contaminants.

    Science.gov (United States)

    Dong, Weiyang; Sun, Yaojun; Ma, Qingwei; Zhu, Li; Hua, Weiming; Lu, Xinchun; Zhuang, Guoshun; Zhang, Shicheng; Guo, Zhigang; Zhao, Dongyuan

    2012-08-30

    Ordered 2-D hexagonal mesoporous TiO(2)-SiO(2) nanocomposites consisted of anatase TiO(2) nanocrystals and amorphous SiO(2) nanoparticles, with large mesochannels and high specific surface areas, have been extensively and detailedly evaluated using various cationic dyes (methylene blue, safranin O, crystal violet, brilliant green, basic fuchsin and rhodamine-6G), anionic dyes (acid fuchsin, orange II, reactive brilliant red X3B and acid red 1) and microcystin-LR. We use mesoporous 80TiO(2)-20SiO(2)-900 for the degradation of cationic dyes and MC-LR, due to the dominant adsorption of SiOH groups and synergistic role of coupled adsorption and photocatalytic oxidation. For anionic dyes, due to the adsorption results predominantly from TiOH groups, our strategy realizes the enhanced photocatalytic oxidation by strong surface acids and larger available specific surface area. Based on this, we prepared 90TiO(2)-10SiO(2)-700 to degrade them. The results show that our samples exhibit excellent degradation activities to all the contaminants, which are much higher than that of P25 photocatalyst. The dyes are not only decolorized promptly but degraded readily as well. It is strongly indicated that our mesoporous nanocomposites are considerably stable and reusable. These results demonstrate that our mesoporous TiO(2)-SiO(2) nanocomposites present extensive and promising application in the fast and highly efficient degradation of various organic pollutants. Copyright © 2012 Elsevier B.V. All rights reserved.

  6. Development of a New Class of Thiocyanate-Free Cyclometalated Ruthenium(II Complex for Sensitizing Nanocrystalline TiO2 Solar Cells

    Directory of Open Access Journals (Sweden)

    Surya Prakash Singh

    2011-01-01

    Full Text Available We designed and developed a new class of thiocyanate-free cyclometalated ruthenium sensitizers for sensitizing nanocrystalline TiO2 solar cells. This complex shows appreciably broad absorption range. Anchoring to nanocrystalline TiO2 films for light to electrical energy conversion in regenerative photoelectrochemical cells achieves efficient sensitization to TiO2 electrode. With this new sensitizer, there were a power conversion efficiency of 4.76%, a short-circuit photocurrent density of 11.21 mA/cm2, an open-circuit voltage of 0.62 V, and a fill factor of 0.68 obtained under standard AM 1.5 sunlight.

  7. Thin Film Nanocrystalline TiO2 Electrodes: Dependence of Flat Band Potential on pH and Anion Adsorption.

    Science.gov (United States)

    Minella, M; Maurino, V; Minero, C; Pelizzetti, E

    2015-05-01

    Thin nanocrystalline TiO2 films were produced on ITO conductive glass by dip-coating of a sol-gel TiO2 precursor. The transparent films were characterized from the optical and structural point of view with UV-Vis, Spectroscopic Ellipsometry, Raman and X-ray photoelectron spectroscopies, the roughness of the coating by AFM. The changes in the electrochemical properties features of ITO/TiO2 electrodes were evaluated in the presence of different electrolytes (KCI, Na2SO4 and phosphate buffer) with the aim to clarify the role of the ion adsorption on the structure of the electrical double layer. Electrochemical tests (Cyclic Voltammetry, CV, and Impedance Electrochemical Spectroscopy, EIS) showed a strong influence of the electrolyte properties on the semiconductor band edge position in the electrochemical scale and on band bending. The CV profiles recorded can be explained by considering that the interface capacity is due to the charging of surface states (e.g., Ti(IV) surface sites coordinated by oxygen atoms, ≡Ti-OH or Ti-O-Ti). The surface charge is strongly affected also by the density and nature of adsorbed ions and by dissociation of surficial OH. Of interest the fact that for the produced nanocrystalline electrodes the flat band potential, measured from the Mott-Schottky analysis of the space charge layer capacity obtained with EIS, showed a non Nernstian behavior with the pH probably caused by a change in the surface acidity as a consequence of specific anion adsorption. The modulation of flat band potential with adsorbed ions is of interest for many applications, in particular for photocatalysis (change in the redox potential of photogenerated carriers) and for photovoltaic applications like DSSC (change in the photopotentials).

  8. Electrochemical deposition of nano-structured ZnO on the nanocrystalline TiO2 film and its characterization

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    One-dimensional structure of ZnO nanorod arrays on nanocrystalline TiO2/ITO conductive glass substrates has been fabricated by cathodic reduction electrochemical deposition methods in the three-electrode system,with zinc nitrate aqueous solution as the electrolyte,and were characterized by X-ray diffraction (XRD),scanning electron microscopy (SEM),energy-dispersive X-ray (EDX) and photoluminescence (PL) spectra.The effects of film substrates,electrolyte concentration,deposition time,and methenamine (HMT) addition on ZnO deposition and its luminescent property were investigated in detail.The results show that,compared with on the ITO glass substrate,ZnO is much easily achieved by electrochemical deposition on the TiO2 nanoparticle thin films.ZnO is hexagonally structured wurtzite with the c-axis preferred growth,and further forms nanorod arrays vertically on the substrates.It is favorable to the growth of ZnO to extend the deposition time,to increase the electrolyte concentration,and to add a certain amount of HMT in the system,consequently improving the crystallinity and orientation of ZnO arrays.It is demonstrated that the obtained ZnO arrays with high crystallinity and good orientation display strong band-edge UV (375 nm) and weak surface-state-related green (520 nm) emission peaks.

  9. Yttrium-substituted nanocrystalline TiO 2 photoanodes for perovskite based heterojunction solar cells

    KAUST Repository

    Qin, Peng

    2014-01-01

    We report the use of Y3+-substituted TiO2 (0.5%Y-TiO2) in solid-state mesoscopic solar cells, consisting of CH3NH3PbI3 as the light harvester and spiro-OMeTAD as the hole transport material. A power conversion efficiency of 11.2% under simulated AM 1.5 full sun illumination was measured. A 15% improvement in the short-circuit current density was obtained compared with pure TiO2, due to the effect of Y3+ on the dimensions of perovskite nanoparticles formed on the semiconductor surface, showing that the surface modification of the semiconductor is an effective way to improve the light harvesters\\' morphology and electron transfer properties in the solid-state mesoscopic solar cells. © 2013 The Royal Society of Chemistry.

  10. Low-Temperature Preparation of Amorphous-Shell/Nanocrystalline-Core Nanostructured TiO2 Electrodes for Flexible Dye-Sensitized Solar Cells

    Directory of Open Access Journals (Sweden)

    Dongshe Zhang

    2008-01-01

    Full Text Available An amorphous shell/nanocrystalline core nanostructured TiO2 electrode was prepared at low temperature, in which the mixture of TiO2 powder and TiCl4 aqueous solution was used as the paste for coating a film and in this film amorphous TiO2 resulted from direct hydrolysis of TiCl4 at 100∘C sintering was produced to connect the particles forming a thick crack-free uniform nanostructured TiO2 film (12 μm, and on which a photoelectrochemical solar cell-based was fabricated, generating a short-circuit photocurrent density of 13.58 mA/cm2, an open-circuit voltage of 0.647 V, and an overall 4.48% light-to-electricity conversion efficiency under 1 sun illumination.

  11. The Electronic Structures and Optical Properties of Alkaline-Earth Metals Doped Anatase TiO2: A Comparative Study of Screened Hybrid Functional and Generalized Gradient Approximation

    Directory of Open Access Journals (Sweden)

    Jin-Gang Ma

    2015-08-01

    Full Text Available Alkaline-earth metallic dopant can improve the performance of anatase TiO2 in photocatalysis and solar cells. Aiming to understand doping mechanisms, the dopant formation energies, electronic structures, and optical properties for Be, Mg, Ca, Sr, and Ba doped anatase TiO2 are investigated by using density functional theory calculations with the HSE06 and PBE functionals. By combining our results with those of previous studies, the HSE06 functional provides a better description of electronic structures. The calculated formation energies indicate that the substitution of a lattice Ti with an AEM atom is energetically favorable under O-rich growth conditions. The electronic structures suggest that, AEM dopants shift the valence bands (VBs to higher energy, and the dopant-state energies for the cases of Ca, Sr, and Ba are quite higher than Fermi levels, while the Be and Mg dopants result into the spin polarized gap states near the top of VBs. The components of VBs and dopant-states support that the AEM dopants are active in inter-band transitions with lower energy excitations. As to optical properties, Ca/Sr/Ba are more effective than Be/Mg to enhance absorbance in visible region, but the Be/Mg are superior to Ca/Sr/Ba for the absorbance improvement in near-IR region.

  12. TiO2 anatase's bulk and (001) surface, structural and electronic properties: A DFT study on the importance of Hubbard and van der Waals contributions

    Science.gov (United States)

    Araujo-Lopez, Eduard; Varilla, Luis Alcala; Seriani, Nicola; Montoya, Javier A.

    2016-11-01

    Theoretical ab initio studies done so far on the structural properties of the titanium dioxide anatase (001) surface, have not reported simultaneously the complete set of cell and interatomic parameters for this system or its bulk. Here we present a complete report of these quantities within a spin polarized Density Functional Theory calculation, including also the Hubbard term and the van der Waals dispersion contribution. We show that within this approach it is possible to find a description of TiO2 anatase using DFT, that correlates better with experimental results than most theoretical studies reported previously. This good level of agreement has an advantage with respect to other very accurate studies which have performed computationally expensive calculations involving hybrid functionals, in that our method tends to be faster while also including the van der Waals dispersion contributions in addition to the treatment of correlations. The observed high-quality description of a system like TiO2 within this approach is important and encouraging; specially because it treats properly a d-shell element that is possibly going to have, for many applications of interest, long-range interaction with molecules, e.g. in studies of photocatalysis, where one needs all the relevant physics of the system to be included. We support this claim with an example of the effects that long-range interactions have on a CO2 molecule at the (001) surface.

  13. Rational design of anatase TiO2 architecture with hierarchical nanotubes and hollow microspheres for high-performance dye-sensitized solar cells

    Science.gov (United States)

    Gu, Jiuwang; Khan, Javid; Chai, Zhisheng; Yuan, Yufei; Yu, Xiang; Liu, Pengyi; Wu, Mingmei; Mai, Wenjie

    2016-01-01

    Large surface area, sufficient light-harvesting and superior electron transport property are the major factors for an ideal photoanode of dye-sensitized solar cells (DSSCs), which requires rational design of the nanoarchitectures and smart integration of state-of-the-art technologies. In this work, a 3D anatase TiO2 architecture consisting of vertically aligned 1D hierarchical TiO2 nanotubes (NTs) with ultra-dense branches (HTNTs, bottom layer) and 0D hollow TiO2 microspheres with rough surface (HTS, top layer) is first successfully constructed on transparent conductive fluorine-doped tin oxide glass through a series of facile processes. When used as photoanodes, the DSSCs achieve a very large short-current density of 19.46 mA cm-2 and a high overall power conversion efficiency of 8.38%. The remarkable photovoltaic performance is predominantly ascribed to the enhanced charge transport capacity of the NTs (function as the electron highway), the large surface area of the branches (act as the electron branch lines), the pronounced light harvesting efficiency of the HTS (serve as the light scattering centers), and the engineered intimate interfaces between all of them (minimize the recombination effect). Our work demonstrates a possibility of fabricating superior photoanodes for high-performance DSSCs by rational design of nanoarchitectures and smart integration of multi-functional components.

  14. A mixture of anatase and rutile TiO2 nanoparticles induces histamine secretion in mast cells

    Directory of Open Access Journals (Sweden)

    Chen Eric Y

    2012-01-01

    Full Text Available Abstract Background Histamine released from mast cells, through complex interactions involving the binding of IgE to FcεRI receptors and the subsequent intracellular Ca2+ signaling, can mediate many allergic/inflammatory responses. The possibility of titanium dioxide nanoparticles (TiO2 NPs, a nanomaterial pervasively used in nanotechnology and pharmaceutical industries, to directly induce histamine secretion without prior allergen sensitization has remained uncertain. Results TiO2 NP exposure increased both histamine secretion and cytosolic Ca2+ concentration ([Ca2+]C in a dose dependent manner in rat RBL-2H3 mast cells. The increase in intracellular Ca2+ levels resulted primarily from an extracellular Ca2+ influx via membrane L-type Ca2+ channels. Unspecific Ca2+ entry via TiO2 NP-instigated membrane disruption was demonstrated with the intracellular leakage of a fluorescent calcein dye. Oxidative stress induced by TiO2 NPs also contributed to cytosolic Ca2+ signaling. The PLC-IP3-IP3 receptor pathways and endoplasmic reticulum (ER were responsible for the sustained elevation of [Ca2+]C and histamine secretion. Conclusion Our data suggests that systemic circulation of NPs may prompt histamine release at different locales causing abnormal inflammatory diseases. This study provides a novel mechanistic link between environmental TiO2 NP exposure and allergen-independent histamine release that can exacerbate manifestations of multiple allergic responses.

  15. Sythesis of TiO2 Nanocrystalline Nanoporous Films with Polyethylene Glycol in Hydrothermal Reaction%聚乙二醇共水热合成TiO2纳米晶多孔薄膜

    Institute of Scientific and Technical Information of China (English)

    杨兵初; 梁丽杰; 周聪华; 王丽丽; 童思超

    2011-01-01

    TiO2 nanocrystallines were prepared by hydrothermal reaction using tetrabutyl titanate as the starting material and poly (ethylene glycol) (PEG, MW = 2 000) as the additive. TiO2 nanoporous thin films were fabricated using the synthesized nanocrystallines and used to assemble dye-sensitized solar cells. The crystallographic structure of the nanocrystalline was characterized by X-ray diffraction, while the thickness, surface morphology and optical properties of the films were studied by scanning electron microscopy, profiler measuring system and UV-vis spectroscopy respectively. The photovoltaic performance of the solar cells was studied. The influence of addition of PEG on the crystallite structure and average crystal size was analyzed. It was found that the growth of the anatase nanocrystallines was inhibited by PEG. When the content of PEG is about 5% of TiO2, the rutile appears, and the best photo-to-electric energy conversion efficiency of 2.86% is reached using liquid state electrolyte without 4-tert-pyridine.%以钛酸丁酯为原料,在水热过程中加入聚乙二醇(分子量2000) 合成TiO2纳米晶,并制备多孔薄膜用于染料敏化太阳能电池(DSSCs).采用X射线衍射仪(XRD)、扫描电子显微镜(SEM)、台阶仪、紫外-可见分光光度计(UV-vis)对纳米晶粒的晶体结构、薄膜的表面形貌、厚度和光学吸收性能以及电池的光电能量转换性能随聚乙二醇的加入量变化的规律进行了探索.结果表明,聚乙二醇的加入抑制了锐钛矿相TiO2晶粒的生长,诱导了金红石相的形成.当聚乙二醇的加入量为TiO2质量的5%时性能达到最佳,采用单层多孔薄膜以及不添加四-叔丁基吡啶的电解质组装的电池获得了2.86%的光电能量转换效率.

  16. A Long-Lived Mononuclear Cyclopentadienyl Ruthenium Complex Grafted onto Anatase TiO2 for Efficient CO2 Photoreduction.

    Science.gov (United States)

    Huang, Haowei; Lin, Jinjin; Zhu, Gangbei; Weng, Yuxiang; Wang, Xuxu; Fu, Xianzhi; Long, Jinlin

    2016-07-11

    This work shows a novel artificial donor-catalyst-acceptor triad photosystem based on a mononuclear C5 H5 -RuH complex oxo-bridged TiO2 hybrid for efficient CO2 photoreduction. An impressive quantum efficiency of 0.56 % for CH4 under visible-light irradiation was achieved over the triad photocatalyst, in which TiO2 and C5 H5 -RuH serve as the electron collector and CO2 -reduction site and the photon-harvester and water-oxidation site, respectively. The fast electron injection from the excited Ru(2+) cation to TiO2 in ca. 0.5 ps and the slow backward charge recombination in half-life of ca. 9.8 μs result in a long-lived D(+) -C-A(-) charge-separated state responsible for the solar-fuel production.

  17. Nanocrystalline Titanium Dioxide for Solar Cells and Lithium Batteries

    Institute of Scientific and Technical Information of China (English)

    Ladislav; Kavan; J.Heyrovsky

    2007-01-01

    1 Results Nanocrystalline TiO2 (anatase) has attracted considerable interest for applications in regenerative photoelectrochemical solar cells[1]. This device is based on charge injection from photoexcited organometallic dye which is adsorbed on the TiO2 surface. A considerable enhancement of the solar cell efficiency was demonstrated on highly organized mesoporous TiO2 thin films made by supramolecular templating with amphiphilic triblock copolymer Pluronic[2]. Titanium dioxide can electrochemically ac...

  18. Ab initio study on the band structure of P-doped anatase TiO2%磷掺杂锐钛矿二氧化钛能带结构的从头计算研究

    Institute of Scientific and Technical Information of China (English)

    王丽丽; 李阳; 刘颖; 刘跃

    2012-01-01

    The microstructures of pure and P-doped anatase TiO2 were optimized by ab initio method. Evidences for the possibility of studying band structures and density states using the density functional theory (DFT) with super cell model of P-doped anatase TiO2 were investigated. The results obtained by the calculations on the P-doped anatase TiO2 are significant for analyzing the mechanism of photo-catalysis of TiO2 and for improving catalytic activity of anatase TiO2.%用密度泛函方法优化了锐钛矿二氧化钛及其磷掺杂锐钛矿二氧化钛的晶体结构.研究揭示了用超胞模型研究未掺杂和P掺杂锐钛矿TiO2能带结构和态密度的可行性.计算结果对于提高TiO2光催化活性有意义.

  19. Electronic and transport properties of reduced and oxidized nanocrystalline TiO2 films

    Science.gov (United States)

    Rothschild, A.; Komem, Y.; Levakov, A.; Ashkenasy, N.; Shapira, Yoram

    2003-01-01

    Electronic properties of reduced (vacuum-annealed) and oxidized (air-annealed) TiO2 films were investigated by in situ conductivity and current-voltage measurements as a function of the ambient oxygen pressure and temperature, and by ex situ surface photovoltage spectroscopy. The films were quite conductive in the reduced state but their resistance drastically increased upon exposure to air at 350 °C. In addition, the surface potential barrier was found to be much larger for the oxidized versus the reduced films. This behavior may be attributed to the formation of surface and grain boundary barriers due to electron trapping at interface states associated with chemisorbed oxygen species.

  20. A method for adjusting nitrogen doping amount in anatase TiO2 single crystals with well-faceted shape and micron size

    Science.gov (United States)

    Shen, Shaishai; Niu, Jinan; Shen, Shitai; Zhou, Lu; Chen, Hui; Zhang, Shenghui; Ling, Yihan; Liu, Zhangsheng; Feng, Peizhong; Ou, Xuemei; Qiang, Yinghuai

    2017-08-01

    A new approach was developed to adjust N doping amount in anatase single crystals with well-faceted shape and micron size, using a novel liquid dopant from the chemical recycling of the wasted supernatant solution in our previous experiments. The dependence of microstructure and property evolution on N doping amount was investigated systematically. The results show that all prepared N-doped samples are pure anatase with the morphology of truncated octahedral bipyramid including both {001} and {110} reactive facets. With the increase of N doping, the single crystals become angular and the thickness decreases, the aggregation of crystals increases, the photo-absorption capacity in visible region is enhanced and the absorption band edge is gradually red-shifted. The photocatalytic efficiency of the samples for the degradation of methylene blue (MB) or phenol under visible light irradiation gradually increases, but when the volume of dopant increases to 2 ml, the photoactivity of TiO2 decreases. The optimal volume of N dopant is 1 ml and A(6:1) shows the highest photodegradation rate. The effective N doping of wasted supernatant is mainly due to the previously formation of Ti-N linkage, and hence a N doping mechanism is proposed. This work provides a new opportunity for in-situ modification of anatase single crystals with well-faceted shape and micron size, and hence, a basis for development of some advanced materials, for example porous single crystals.

  1. Release of Phosphorous Impurity from TiO2 Anatase and Rutile Nanoparticles in Aquatic Environments and Its Implications

    Science.gov (United States)

    Phosphorus-bearing materials as an additive have been popularly used in nanomaterial synthesis and the residual phosphorus within the nanoparticles (NPs) can be of an environmental concern. For instance, phosphorus within pristine commercial TiO2 NPs greatly influences the surfac...

  2. Bilayer hollow/spindle-like anatase TiO2 photoanode for high efficiency dye-sensitized solar cells

    Science.gov (United States)

    Wang, Guanxi; Zhu, Xunjin; Yu, Jiaguo

    2015-03-01

    Derived from a hollow TiO2 nanoparticle (HNP) as underlayer and a TiO2 spindle (SP) as light scattering overlayer, a new bilayer single-crystalline photoanode (HNP/SP) is fabricated for dye-sensitized solar cell (DSSC) application. The prepared bilayer TiO2 photoanode and two comparative HNP/HNP and SP/SP ones are fully characterized by scanning electron microscopy, transmission electron microscopy, X-ray diffraction, UV-vis absorption spectroscopy and N2 adsorption-desorption isotherms. An overall photoelectric conversion efficiency of 8.65% has been achieved for HNP/SP DSSC, which is 25% higher than that of HNP/HNP DSSC, and also far superior to that of SP/SP or conventional P25 DSSC. The improved photovoltaic performance of HNP/SP DSSC is attributed to the synergic effects, i.e. the single-crystalline bilayer structure favoring for rapid interfacial electron transport, the relatively large specific surface area of HNP for effective dye adsorption, and the 1D geometry of single-crystalline TiO2 spindles for direct electron transport pathway and strong light scattering effect.

  3. Silicon Impurity Release and Surface Transformation of TiO2 Anatase and Rutile Nanoparticles in Water Environments

    Science.gov (United States)

    Surface transformation can affect the stability, reactivity, and toxicity of titanium dioxide (TiO2) nanoparticles (NPs) when released to water environments. Herein, we investigated the release kinetics of Si impurity frequently introduced during NP synthesis and the resulting ef...

  4. Artificial photosynthesis based on ruthenium(II) tetrazole-dye-sensitized nanocrystalline TiO2 solar cells.

    Science.gov (United States)

    Shahroosvand, Hashem; Najafi, Leyla; Khanmirzaei, Leyla; Tarighi, Sara

    2015-11-01

    We have demonstrated the optical and morphological properties of a novel TiO2 nanoparticle as photoanode in order to apply in dye sensitized solar cells. The nanoparticles were synthesized through hydrothermal method in Tri-n-octyl amine (TOA) as capping agent. From the results it is concluded that the molar ratio of TiCl4 and TOA has remarkable influence on the size and homogeneity of the nanoparticles. The optimized nanoparticles structure for photoanode incorporated into dye-sensitized solar cell was obtained via the molar ratio of 1:10 for TiCl4:TOA. It has also studied the photovoltaic properties of different synthesized TiO2 nanocrystalline (1-4) anchored to ruthenium(II) complexes. 4-(1H-tetrazole-5-yl) benzoic acid (TzBA) applied as an anchoring ligand and 2,2-bipyridine (bpy), 1,10-phenanthroline (phen) and pyridine tetrazole (pyTz) used as ancillary ligands. A solar energy to electricity conversion efficiency (η) of 1.06% was obtained for [Ru(TzBA)(bpy)(pyTz)(NCS)] (5) under the standard AM 1.5 irradiation with a Jsc of 2.29 mA cm(-2), a Voc of 0.51 V, and FF of 55% which are the highest values among Ru(TzBA) complexes. DSSC study reveals that pyTz as an auxiliary ligand exhibits improved current generating capacity than the bpy and phen, which are introduced by dye (5).

  5. Characterization and Photocatalytic Activity ofMixed Nanocrystalline TiO2 Powders Prepared by Xerogel-Hydrothermal Method in Different Acid Solutions

    Institute of Scientific and Technical Information of China (English)

    刘翠萍; 于涛; 谭欣

    2016-01-01

    TiO2 nanoparticles(NPs)were prepared via the hydrothermal route of TiO2 xerogel in nitric acid, hy-drochloric acid and acetic acid. The physico-chemical properties of the powders were characterized by X-ray dif-fraction(XRD)and N2 adsorption desorption techniques. The effects of the different acids on the structure(crystal phase)and texture(primary particle size and porosity)of the TiO2 powders were explored. Results indicated that acetic acid facilitated the formation and stability of pure anatase phase. On the other hand, nitric acid and hydro-chloric acid led to the transformation from anatase to rutile. The catalyst synthesized via the hydrothermal route of TiO2 xerogel in the low concentration hydrochloric acid solution(Ti-HCl-0.15)had the highest photocatalytic activ-ity than the catalysts obtained in the other two acid solutions. The effects of the different acids were discussed in terms of acid strength, chelating effect and the thermal stability of the adsorbed acidic anions.

  6. Effect of the specific surface area on thermodynamic and kinetic properties of nanoparticle anatase TiO2 in lithium-ion batteries

    Science.gov (United States)

    Madej, Edyta; Klink, Stefan; Schuhmann, Wolfgang; Ventosa, Edgar; La Mantia, Fabio

    2015-11-01

    Anatase TiO2 nanoparticles with a specific surface area of 100 m2 g-1 and 300 m2 g-1 have been investigated as negative insertion electrode material for lithium-ion batteries. Galvanostatic intermittent titration (GITT) and electrochemical impedance spectroscopy (EIS) were used to investigate the effect of the specific surface area on the performance of the material. GITT was performed at C/10 rate, followed by an EIS measurement after each relaxation step. Separation of kinetic and thermodynamic contributions to the overpotential of the phase transformation on Li+ (de-)insertion allowed revealing a dependency of both terms on the specific surface area. The material with higher surface area undergoes intrinsic transformation during the initial cycles affecting the thermodynamics of (de-)insertion while the sample with lower surface area shows large and asymmetric kinetic hindrances. For the material with 15 nm particles, Li+ de-insertion appears to have a higher resistance than lithium insertion.

  7. Tailoring the electronic structure of anatase TiO2(001) surface through W and N codoping: a DFT calculation

    Science.gov (United States)

    Li, Zongbao; Wang, Xia; Xing, Xiaobo; Wang, Ying

    2017-02-01

    Using density functional theory, we calculated the geometries, band structures and densities of states of W-doped, N-doped, and W/N-codoped anatase TiO4 (001) and (101) surfaces, as well as while the formation energies, based on the overall reaction energy diagram. The calculated results reveal that, on the two surfaces, the absorption of W atoms are more stable than that of N atoms while a larger energy barrier blocks the transfer of W atoms from the surfaces to the body. For TiO2(001), the W-doping and the N/W-codoping lead to a visible lattice distortion while the recombination of photo-generated electron-holes pairs is reduced. A comprehensive analysis of the electronic structures show that the band-gap narrows and a new W-N bond appears, which obviously enhance the photocatalytic activity.

  8. High-Temperature Superconductivity in Single-Unit-Cell FeSe Films on Anatase TiO_{2}(001).

    Science.gov (United States)

    Ding, Hao; Lv, Yan-Feng; Zhao, Kun; Wang, Wen-Lin; Wang, Lili; Song, Can-Li; Chen, Xi; Ma, Xu-Cun; Xue, Qi-Kun

    2016-08-05

    We report on the observation of high-temperature (T_{c}) superconductivity and magnetic vortices in single-unit-cell FeSe films on anatase TiO_{2}(001) substrate by using scanning tunneling microscopy. A systematic study and engineering of interfacial properties has clarified the essential roles of substrate in realizing the high-T_{c} superconductivity, probably via interface-induced electron-phonon coupling enhancement and charge transfer. By visualizing and tuning the oxygen vacancies at the interface, we find their very limited effect on the superconductivity, which excludes interfacial oxygen vacancies as the primary source for charge transfer between the substrate and FeSe films. Our findings have placed severe constraints on any microscopic model for the high-T_{c} superconductivity in FeSe-related heterostructures.

  9. Central role of TiO2 anatase grain boundaries on resistivity of CaCu3Ti4O12-based materials probed by Raman spectroscopy

    Science.gov (United States)

    De Almeida-Didry, Sonia; Autret, Cécile; Honstettre, Christophe; Lucas, Anthony; Zaghrioui, Mustapha; Pacreau, François; Gervais, François

    2016-11-01

    This study focuses on characterization and control of grain boundaries to enhance the properties of CaCu3Ti4O12 (CCTO) ceramics capacitors for industrial applications. A novel factor deals with TiO2 anatase revealed by Raman scattering in grain boundaries, found as a dominant parameter of largest sample resistivity, consistent with higher grain boundary resistivity and higher breakdown voltage. Four selected samples of CCTO-based compositions showing very different properties in terms of permittivity ranging from 1000 to 684 000 measured at 1 kHz, capacitance of grain boundaries ranging from 8 10-10 to 4.5 10-7 F cm-1, grain boundary resistivity ranging from 193 to 30,000,000 Ω cm and sample resistivity extending from 450 to 1011 Ω cm. The relationship between permittivity weighted by grain size and capacitance of grain boundaries confirms the internal barrier layer capacitance model over 5 orders of magnitude.

  10. A periodic density functional theory investigation of tetrazole derivatives adsorbed on anatase TiO2 surface applied in dye-sensitized solar cell

    Science.gov (United States)

    Karami, Marzieh; Beni, Ali Reza Salimi; Hosseinzadeh, Behzad

    2017-10-01

    In the current investigation, four different additives namely 2H-tetrazole (2HTz), 2H-tetrazole-5-amine (5ATz), 2H-tetrazole-5-thiol (5TTz) and 4-tert-butylpyridine (TBP) are utilized to examine the interaction of these additives with anatase TiO2 (101), (100) and (001) surfaces under vacuum condition. In addition, analyses of adsorption mode and electronic structure using a periodic density functional theory method is performed to find the interaction of acetonitrile solvent. The obtained results revealed that these four additives are adsorbed into the sorbent surface as the following order of (100) open-circuit photovoltage of dye-sensitized solar cells. Besides, the obtained results demonstrated that although addition of the acetonitrile solvent leads to a reduction in adsorption energy, it improves the shift trend of Fermi energy except for 2HTz and 5TTz-TiO2 (001) systems.

  11. Low Temperature Coating of Anatase Thin Films on Silica Glass Fibers by Liquid Phase Deposition

    Institute of Scientific and Technical Information of China (English)

    LI Shun; LIU Jiachen; FENG Tiecheng

    2007-01-01

    Uniform crystalline TiO2 thin films were coated on silica glass fibers by liquid phase deposition from aqueous solution of ammonium hexafluorotitanate at low temperature. TiO2 thin films and nanopowders were prepared by adding H3BO3 into (NH4)2TiF6 solution supersaturated with anatase nano-crystalline TiO2 at 40 ℃. The effects of the deposition conditions on the surface morphology, section morphology, thickness of the deposited TiO2 thin films were investigated. The results indicate that the growth rate and particle size of the thin films were controlled by both the deposition conditions and the amount of anatase nano-crystalline TiO2.

  12. Low temperature biosynthesis of Li2O-MgO-P2O5-TiO2 nanocrystalline glass with mesoporous structure exhibiting fast lithium ion conduction.

    Science.gov (United States)

    Du, Xiaoyong; He, Wen; Zhang, Xudong; Ma, Jinyun; Wang, Chonghai; Li, Chuanshan; Yue, Yuanzheng

    2013-04-01

    We demonstrate a biomimetic synthesis methodology that allows us to create Li2O-MgO-P2O5-TiO2 nanocrystalline glass with mesoporous structure at lower temperature. We design a 'nanocrystal-glass' configuration to build a nanoarchitecture by means of yeast cell templates self-assembly followed by the controlled in-situ biomineralization of materials on the cell wall. Electrochemically active nanocrystals are used as the lamellar building blocks of mesopores, and the semiconductive glass phase can act both as the 'glue' between nanocrystals and functionalized component. The Li2O-MgO-P2O5-TiO2 nanocrystalline glass exhibits outstanding thermal stability, high conductivity and wide potential window. This approach could be applied to many other multicomponent glass-ceramics to fabricate mesoporous conducting materials for solid-state lithium batteries.

  13. The effects of copper doping on photocatalytic activity at (101) planes of anatase TiO2: A theoretical study

    Science.gov (United States)

    Assadi, M. Hussein N.; Hanaor, Dorian A. H.

    2016-11-01

    Copper dopants are varyingly reported to enhance photocatalytic activity at titanium dioxide surfaces through uncertain mechanisms. In order to interpret how copper doping might alter the performance of titanium dioxide photocatalysts in aqueous media we applied density functional theory methods to simulate surface units of doped anatase (101) planes. By including van der Waals interactions, we consider the energetics of adsorbed water at anatase surfaces in pristine and copper doped systems. Simulation results indicate that copper dopant at anatase (101) surfaces is most stable in a 2+ oxidation state and a disperse configuration, suggesting the formation of secondary CuO phases is energetically unfavourable. In agreement with previous reports, water at the studied surface is predicted to exhibit molecular adsorption with this tendency slightly enhanced by copper. Results imply that the enhancement of photoactivity at anatase surfaces through Cu doping is more likely to arise from electronic interactions mediated by charge transfer and inter-bandgap states increasing photoexcitation and extending surface-hole lifetimes rather than through the increased density of adsorbed hydroxyl groups.

  14. Meso-structured coatings of TiO2-anatase obtained by EISA method with photovoltaic activity; Recubrimientos meso-estructurados de TiO2-anatasa obtenido por el metodo EISA con actividad fotovoltaica

    Energy Technology Data Exchange (ETDEWEB)

    Arconada, N.; Castro, Y.; Duran, A.

    2010-07-01

    This paper reports the preparation of mesoporous and meso-structured TiO2-anatase thin films using the sol-gel route combining with the evaporation induced self-assembly method (EISA). Titania sols were prepared from TiCl4 using different no-ionic pore generating agents: Pluronic F127, Brij58 and Triton X100. The films were deposited by dipping and then characterised was performed by Fourier Transform Infrared Spectroscopy, Low angle and Graxing X-Ray Diffraction and Transmission Electronic Microscopy to analyse the crystallization of the inorganic network and the direction order of the meso-structured porosity. Spectral Ellipsometry studies were performed to obtain the absorption-desorption isotherms and to determine pore size distribution, pore volume and specific surface area and exposed surface area of the films. The photocatalytic activity was studied through the degradation of methyl orange in aqueous solution (c= 3mg/L) under ultraviolet-visible light exposure. Thickness, refraction index and contact angles change with the type of substrate used to deposit the films. Higher thickness and low refraction index and contact angle were obtained onto glass-slides substrate. The best photocatalytic activity was obtained for the 0.005 F127 at RH 20-70% and 0.3 Triton at RH 50%, which correspond with lowest pore size and highest Sexp. The TiO2 films obtained with 0.005 F127 at RH 20 and 20-70% and Brij58 at RH 50% show a perfect meso-structured order. (Author).

  15. Size-Tunable Olive-Like Anatase TiO2 Coated with Carbon as Superior Anode for Sodium-Ion Batteries.

    Science.gov (United States)

    Chen, Jun; Zhang, Yan; Zou, Guoqiang; Huang, Zhaodong; Li, Simin; Liao, Hanxiao; Wang, Jufeng; Hou, Hongshuai; Ji, Xiaobo

    2016-10-01

    Olive-shaped anatase TiO2 with tunable sizes in nanoscale are designed employing polyvinyl alcohol (PVA) as structure directing agents to exert dramatic impacts on structure shaping and size manipulation. Notably, the introduced PVA simultaneously serves as carbon sources, bringing about a homogenous carbon layer with intimate coupling interfaces for boosted electronic conductivity. Constructed from tiny crystalline grains, the uniformly dispersed carbon-coated TiO2 nano-olives (TOC) possess subtle loose structure internally for prompt Na(+) transportations. When utilized for sodium-ion storage, the size effects are increasingly significant at high charge-discharge rates, leading to the much superior rate performances of TOC with the smallest size. Bestowed by the improved Na(+) adsorption and diffusion kinetics together with the promoted electron transfer, it delivers a high specific capacity of 267 mAh g(-1) at 0.1 C (33.6 mA g(-1) ) and sustains 110 mAh g(-1) at a rather high rate of 20 C. Even after cycled at 10 C over 1000 cycles, a considerable capacity of 125 mAh g(-1) with a retention of 94.6% is still obtained, highlighting its marvelous long-term cyclability and high-rate capabilities. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Morphology-controlled cactus-like branched anatase TiO2 arrays with high light-harvesting efficiency for dye-sensitized solar cells

    Science.gov (United States)

    Wu, Wu-Qiang; Rao, Hua-Shang; Feng, Hao-Lin; Guo, Xin-Dong; Su, Cheng-Yong; Kuang, Dai-Bin

    2014-08-01

    The present work establishes a facile process for one-step hydrothermal growth of vertically aligned anatase cactus-like branched TiO2 (CBT) arrays on a transparent conducting oxide (TCO) substrate. Various CBT morphologies are obtained by adjusting the potassium titanium oxide oxalate (PTO) reactant concentration (from 0.05 M to 0.15 M) and this yields a morphologically-controllable branched TiO2 arrays geometry. The CBT arrays consist of a vertically oriented nanowire (NW) or nanosheet (NS) stem and a host of short nanorod (NR) branches. The hierarchical CBT arrays demonstrate their excellent candidatures as photoanodes, which are capable of exhibiting high light-harvesting efficiency in dye-sensitized solar cells (DSSCs). Consequently, DSSCs based on 7 μm long optimized CBT arrays (0.05 M PTO), which are assembled with high density and high aspect-ratio NR branches, exhibit an impressive power conversion efficiency of 6.43% under AM 1.5G one sun illumination. The high performance can be attributed to the prominent light-harvesting efficiency, resulting from larger surface area and superior light-scattering capability.

  17. Anionic or Cationic S-Doping in Bulk Anatase TiO 2 : Insights on Optical Absorption from First Principles Calculations

    KAUST Repository

    Harb, Moussab

    2013-05-02

    Using first principles calculations, we investigate the structural, electronic, optical, and energetic properties of S-doped anatase TiO2 bulk systems. To ensure accurate band gap predictions, we use the HSE06 exchange correlation functional, and the absorption spectra are obtained with density functional perturbation (DFPT) theory by employing HSE06. Various oxidation states (anionic and cationic) of sulfur are considered depending on the location in bulk TiO2: in interstitial position or in substitution for either oxygen or titanium atoms. Among the explored structures, two anionic and one cationic configurations induce an improved optical absorption response in the visible region as observed experimentally. Moreover, we undertake a thermodynamic analysis as a function of the chemical potential of oxygen and considering three relevant sulfur chemical doping agents (S 2, H2S, and thiourea). It highlights that cationic configurations (S4+ and S6+) are strongly stabilized in a wide range of oxygen chemical potential (including standard conditions), whereas anionic species are stabilized only at very low chemical potential of oxygen. The metastable cationic Ti(1-2x)O2S2x system involving the presence of S4+ species in substitution for Ti 4+, with the formation of SO2 units, should offer the best compromise between the thermodynamic conditions and the expected optical properties. © 2013 American Chemical Society.

  18. Comparative density functional theory and density functional tight binding study of arginine and arginine-rich cell penetrating peptide TAT adsorption on anatase TiO2.

    Science.gov (United States)

    Li, Wenxuan; Kotsis, Konstantinos; Manzhos, Sergei

    2016-07-20

    We present a comparative density functional theory (DFT) and density functional tight binding (DFTB) study of geometries and electronic structures of arginine (Arg), arginine adsorbed on the anatase (101) surface of titania in several adsorption configurations, and of an arginine-rich cell penetrating peptide TAT and its adsorption on the surface of TiO2. Two DFTB parameterizations are considered, tiorg-0-1/mio-1-1 and matsci-0-3. While there is good agreement in the structures and relative energies of Arg and peptide conformers between DFT and DFTB, both adsorption geometries and energies are noticeably different for Arg adsorbed on TiO2. The tiorg-0-1/mio-1-1 parameterization performs better than matsci-0-3. We relate this difference to the difference in electronic structures resulting from the two methods (DFT and DFTB) and specifically to the band alignment between the molecule and the oxide. We show that the band alignment of TAT and TiO2 modeled with DFTB is qualitatively correct but that with DFT using the PBE functional is not. This is specific to the modeling of large molecules where the HOMO is close to the conduction band of the oxide. We therefore report a case where the approximate DFT-based method - DFTB (with which the correct band structure can be effectively obtained) - performs better than the DFT itself with a functional approximation feasible for the modeling of large bio-inorganic interfaces, i.e. GGA (as opposed to hybrid functionals which are impractical at such a scale). Our results highlight the utility of the DFTB method for the modeling of bioinorganic interfaces not only from the CPU cost perspective but also from the accuracy point of view.

  19. Organic-skinned inorganic nanoparticles: surface-confined polymerization of 6-(3-thienylhexanoic acid bound to nanocrystalline TiO2

    Directory of Open Access Journals (Sweden)

    Saji Viswanathan

    2011-01-01

    Full Text Available Abstract There are many practical difficulties in direct adsorption of polymers onto nanocrystalline inorganic oxide surface such as Al2O3 and TiO2 mainly due to the insolubility of polymers in solvents or polymer agglomeration during adsorption process. As an alternative approach to the direct polymer adsorption, we propose surface-bound polymerization of pre-adsorbed monomers. 6-(3-Thienylhexanoic acid (THA was used as a monomer for poly[3-(5-carboxypentylthiophene-2,5-diyl] (PTHA. PTHA-coated nanocrystalline TiO2/FTO glass electrodes were prepared by immersing THA-adsorbed electrodes in FeCl3 oxidant solution. Characterization by ultraviolet/visible/infrared spectroscopy and thermal analysis showed that the monolayer of regiorandom-structured PTHA was successfully formed from intermolecular bonding between neighbored THA surface-bound to TiO2. The anchoring functional groups (-COOH of the surface-crawling PTHA were completely utilized for strong bonding to the surface of TiO2.

  20. Synthesis, surface morphology, and photoluminescence properties of anatase iron-doped titanium dioxide nano-crystalline films.

    Science.gov (United States)

    Zhang, Jinzhong; Chen, Xiangui; Shen, Yude; Li, Yawei; Hu, Zhigao; Chu, Junhao

    2011-07-28

    Iron (Fe)-doped (0 to 4%) TiO(2) nano-crystalline (nc) films with the grain size of about 25 nm have been deposited on n-type Si (100) substrates by a facile nonhydrolytic sol-gel processing. X-ray diffraction measurements prove that the films are polycrystalline and present the pure anatase phase. X-ray photoelectron spectroscopy spectra indicate that the chemical valent state of Fe element is +3 and the Fe(3+) ions replace the Ti(4+) sites. The Fe dopant effects on the surface morphology, microstructure, and dielectric functions of the nc-Fe/TiO(2) films have been studied by atomic force microscope, ultraviolet Raman scattering and spectroscopic ellipsometry. With increasing Fe composition, the intensity of Raman-active mode B(1g) increases, while that of the A(1g) phonon mode decreases. The dielectric functions have been uniquely extracted by fitting ellipsometric spectra with the Adachi's dielectric function model and a four-phase layered model. It is found that the real part of dielectric functions in the transparent region and the optical band gap slightly decrease with the Fe composition due to the introduction of acceptor level Fe t(2g). Finally, the composition and temperature dependence of the surface and lattice defects in the Fe/TiO(2) films have been investigated by photoluminescence spectra in detail. At room temperature, the emission intensities decrease with increasing Fe compositions since the Fe incorporation could prolong the radiative lifetime and/or shorten the non-radiative lifetime. By analyzing the low temperature photoluminescence spectra, the intensities and positions of five emission peaks and shoulder structure can be unambiguously assigned. The phenomena could be reasonably explained by the physical mechanisms such as oxygen vacancies, localized excitons, self-trapped excitons, and indirect transitions, which are strongly related to the electronic band structure perturbed by the Fe doping.

  1. Deposition of transparent, hydrophobic polydimethylsiloxane - nanocrystalline TiO2 hybrid films on glass substrate

    Directory of Open Access Journals (Sweden)

    On-uma Nimittrakoolchai

    2010-05-01

    Full Text Available Transparent, hydrophobic hybrid films were deposited on glass substrate from solution containing hydroxyl-terminatedpolydimethylsiloxane (PDMS and TiO2 sol by using a dip coating method. The effects of the film heat-treatment temperatureand PDMS/TiO2 component on surface properties of the hybrid films were investigated by water drop contact angle measurement,and by atomic force microscopy (AFM and scanning electron microscope (SEM analyses. Surface morphology of the hybrid film changed from smooth surface containing tiny spikes to rougher surface containing large protrusions during heattreatmenttemperatures of 60 - 300°C and became smooth surface containing very fine spikes at 500°C, corresponding to a change hydrophobicity behavior from contact angle measurement. The suitable condition for preparation of hydrophobic coating from this current recipe was at the PDMS/TiO2 volume ratio of 1.00 - 2.33 and heat-treatment temperature of 60°C. All the films were transparent regardless of post heat-treatment temperature. However, the films containing higher content of PDMS were slightly more transparent.

  2. Direct Low-Temperature Growth of Single-Crystalline Anatase TiO2 Nanorod Arrays on Transparent Conducting Oxide Substrates for Use in PbS Quantum-Dot Solar Cells.

    Science.gov (United States)

    Chung, Hyun Suk; Han, Gill Sang; Park, So Yeon; Shin, Hee-Won; Ahn, Tae Kyu; Jeong, Sohee; Cho, In Sun; Jung, Hyun Suk

    2015-05-20

    We report on the direct growth of anatase TiO2 nanorod arrays (A-NRs) on transparent conducting oxide (TCO) substrates that can be directly applied to various photovoltaic devices via a seed layer mediated epitaxial growth using a facile low-temperature hydrothermal method. We found that the crystallinity of the seed layer and the addition of an amine functional group play crucial roles in the A-NR growth process. The A-NRs exhibit a pure anatase phase with a high crystallinity and preferred growth orientation in the [001] direction. Importantly, for depleted heterojunction solar cells (TiO2/PbS), the A-NRs improve both electron transport and injection properties, thereby largely increasing the short-circuit current density and doubling their efficiency compared to TiO2 nanoparticle-based solar cells.

  3. Photocatalytic activity enhancing for TiO2 photocatalyst by doping with La

    Institute of Scientific and Technical Information of China (English)

    WEN Chen; DENG Hua; TIAN Jun-ying; ZHANG Ji-mei

    2006-01-01

    La doped nanocrystalline TiO2 photocatalyst was developed by sol-gel method. The prepared La-TiO2 photocatalysts with anatase phases were characterized by X-ray diffractometry (XRD),UV-Vis absorption spectroscopy,and photoluminescence spectra (PL). The photocatalytic activity was evaluated by the photocatalytic degradation of phenol in solution under sunlight irradiation. The results show that the crystallinity of anatase is improved by La doping. Moreover,La not only suppresses phase transition from anatase to rutile but also exhibits an absorption in the λ≥ 400 nm range. The photocatalytic activity of La-doped TiO2 photocatalysts exceeds that of pure TiO2 photocatalyst prepared by the same method when the molar ratio of La to Ti is kept at 0.3%.

  4. Density functional theory analysis of the structural and electronic properties of TiO2 rutile and anatase polytypes: performances of different exchange-correlation functionals.

    Science.gov (United States)

    Labat, Frédéric; Baranek, Philippe; Domain, Christophe; Minot, Christian; Adamo, Carlo

    2007-04-21

    The two polymorphs of TiO2, rutile and anatase, have been investigated at the ab initio level using different Hamiltonians with all-electron Gaussian and projector augmented plane wave basis sets. Their equilibrium lattice parameters, relative stabilities, binding energies, and band structures have been evaluated. The calculations have been performed at the Hartree-Fock, density functional theory (DFT), and hybrid (B3LYP and PBE0) levels. As regards DFT, the local density and generalized gradient (PBE) approximations have been used. Our results show an excellent agreement with the experimental band structures and binding energies for the B3LYP and PBE0 functionals, while the best structural descriptions are obtained at the PBE0 level. However, no matter which Hamiltonian and method are used, anatase is found more stable than rutile, in contrast with recent experimental reports, although the relative stabilities of the two phases are very close to each other. Nevertheless, based on the overall results, the hybrid PBE0 functional appears as a good compromise to obtain an accurate description of both structural and electronic properties of solids.

  5. Interaction between Human Serum Albumin and Different Anatase TiO2 Nanoparticles: A Nano-bio Interface Study

    Directory of Open Access Journals (Sweden)

    Viviana Vergaro

    2015-10-01

    was different for the diverse range of nanocrystals tested. Surface roughness measurements showed that on some of the nanocrystals, HSA were arranged in a more globular manner. A lower protein affinity was found for nanocrys‐ tals that had a smaller primary particle size, which may correspond to their higher biocompatibility. This nano-bio interface research aimed to study the HSA protein-TiO2 anatase nanocrystals under conditions similar to those for in vitro and in vivo toxicity analyses.

  6. Structural and electronic properties of Mg and Mg-Nb co-doped TiO2 (101) anatase surface

    Energy Technology Data Exchange (ETDEWEB)

    Sasani, Alireza [Department of Science, Karaj Islamic Azad University, Karaj, Alborz, P.O. Box 31485-313 (Iran, Islamic Republic of); Baktash, Ardeshir [Institute of Nano Science and Nano Technology, University of Kashan, Kashan, P.O. Box 87317-51167 (Iran, Islamic Republic of); Mirabbaszadeh, Kavoos, E-mail: mirabbas@aut.ac.ir [Department of Energy Engineering and Physics, Amirkabir University of Technology, Tehran, P. O. Box 15875-4413 (Iran, Islamic Republic of); Khoshnevisan, Bahram [Institute of Nano Science and Nano Technology, University of Kashan, Kashan, P.O. Box 87317-51167 (Iran, Islamic Republic of)

    2016-10-30

    Highlights: • Formation energy of Mg and Mg-Nb co-doped TiO{sub 2} anatase surface (101) is studied. • Effect of Mg defect to the TiO{sub 2} anatase (101) surface and bond length distribution of the surface is studied and it is shown that Mg defects tend to stay far from each other. • Effect of Mg and Nb to the bond length distribution of the surface studied and it is shown that these defects tend to stay close to each other. • Effects of Mg and Mg-Nb defects on DSSCs using TiO{sub 2} anatase hosting these defects are studied. - Abstract: In this paper, by using density functional theory, Mg and Nb-Mg co-doping of TiO{sub 2} anatase (101) surfaces are studied. By studying the formation energy of the defects and the bond length distribution of the surface, it is shown that Mg defects tend to stay as far as possible to induce least possible lattice distortion while Nb and Mg defects stay close to each other to cause less stress to the surface. By investigating band structure of the surface and changes stemmed from the defects, potential effects of Mg and Mg-Nb co-doping of TiO{sub 2} surface on dye-sensitized solar cells are investigated. In this study, it is shown that the Nb-Mg co-doping could increase J{sub SC} of the surface while slightly decreasing V{sub OC} compared to Mg doped surface, which might result in an increase in efficiency of the DSSCs compared to Nb or Mg doped surfaces.

  7. Comparison of electrode structures and photovoltaic properties of porphyrin-sensitized solar cells with TiO2 and Nb, Ge, Zr-added TiO2 composite electrodes.

    Science.gov (United States)

    Imahori, Hiroshi; Hayashi, Shinya; Umeyama, Tomokazu; Eu, Seunghun; Oguro, Akane; Kang, Soonchul; Matano, Yoshihiro; Shishido, Tetsuya; Ngamsinlapasathian, Supachai; Yoshikawa, Susumu

    2006-12-19

    Electrode structures and photovoltaic properties of porphyrin-sensitized solar cells with TiO2 and Nb-, Ge-, and Zr-added TiO2 composite electrodes were examined to disclose the effects of partial substitution of Ti atom by the other metals in the composite electrodes. The TiO2 and Nb-, Ge-, and Zr-added TiO2 composite electrodes were prepared by sol-gel process using laurylamine hydrochloride as a template for the formation of micellar precursors yielding well-defined mesoporous nanocrystalline structures, as in the cases of the formation of silica and titania tubules and nanoparticles by the templating mechanism. The TiO2 and Nb-, Ge-, and Zr-added TiO2 composite electrodes were characterized by transmission electron microscopy, BET surface area analysis, X-ray diffraction analysis, Raman spectroscopy, and impedance measurements. The TiO2 anatase nanocrystalline structure is retained after doping a small amount (5 mol %) of Nb, Ge, or Zr into the TiO2 structure, suggesting the homogeneous distribution of the doped metals with replacing Ti atom by the doped metal. The power conversion efficiency of the porphyrin-sensitized solar cells increases in the order Zr-added TiO2 (0.8%) TiO2 (1.2%) TiO2 (2.0%) TiO2 cells (2.4%) under the same conditions. The improvement of cell performance of the Ge-added TiO2 cell results from the negative shift of the conduction band of the Ge-added TiO2 electrode. The Ge-added TiO2 cell exhibited a maximum power conversion efficiency of 3.5% when the porphyrin was adsorbed onto the surface of the Ge-added TiO2 electrode with a thickness of 4 microm in MeOH for 1 h.

  8. Low-temperature fabrication of TiO2 nanocrystalline film electrodes for dye-sensitized solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Shan, G.; Lee, K.E.; Charboneau, C.; Demopoulos, G.P.; Gauvin, R. [McGill Univ., Montreal, PQ (Canada). Dept. of Materials Engineering; Savadogo, O. [Ecole Polytechnique de Montreal, PQ (Canada). Dept. de Genie Chimique

    2008-07-01

    Dye-sensitized solar cells (DSSCs) have the potential to render solar energy widely accessible. The deposition of titania nano-crystalline powders on a substrate is an important step in the manufacture of the DSSC. The deposition forms a mesoporous thin film that is followed by thermal treatment and sensitization. Usually titania films are deposited on glass by screen printing and then annealed at temperatures as high as 530 degrees C to provide a good electrical contact between the semiconductor particles and crystallization of the anatase phase. Several research and development efforts have focused on the deposition of titania film on flexible plastic substrates that will simplify the whole manufacturing process in terms of flexibility, weight, application and cost. Lower temperature processing is needed for the preparation of plastic-based titania film electrodes, but this has proven to be counterproductive when it comes to the cell's conversion efficiency. This paper presented a comprehensive evaluation of the different coating and annealing techniques at low temperature as well as important processing factors for improvement. To date, these techniques include pressing, hydrothermal process, electrodeposition, electrophoretic deposition, microwave or UV irradiation, and lift-off technique.

  9. Dye Sensitized Solar Cell with Conventionally Annealed and Post-Hydrothermally Treated Nanocrystalline Semiconductor Oxide TiO2 Derived from Sol-Gel Process

    Directory of Open Access Journals (Sweden)

    Akhmad Yuwono

    2011-05-01

    Full Text Available Dye-sensitized solar cell (DSSC is one of the very promising alternative renewable energy sources to anticipate the declination in the fossil fuel reserves in the next few decades and to make use of the abundance of intensive sunlight energy in tropical countries like Indonesia. In the present study, TiO2 nanoparticles of different nanocrystallinity was synthesized via sol−gel process with various water to inorganic precursor ratio (Rw of 0.85, 2.00 and 3.50 upon sol preparation, followed with subsequent drying, conventional annealing and post-hydrothermal treatments. The resulting nanoparticles were integrated into the DSSC prototype and sensitized with an organic dye made of the extract of red onion. The basic performance of the fabricated DSSC has been examined and correlated to the crystallite size and band gap energy of TiO2 nanoparticles. It was found that post-hydrothermally treated TiO2 nanoparticles derived from sol of 2.00 Rw, with the most enhanced nanocrystalline size of 12.46 nm and the lowest band gap energy of 3.48 eV, showed the highest open circuit voltage (Voc of 69.33 mV.

  10. 乙烯在纳米催化剂InVO4-TiO2上的可见光降解%Degradation of Ethylene on Nano-crystalline InVO4-TiO2 under Visible Light Iradiation

    Institute of Scientific and Technical Information of China (English)

    肖光参; 鲁文升; 李旦振; 付贤智; 王绪绪

    2005-01-01

    The InVO4-TiO2 nano-crystalline photocatalyst was prepared by sol-gel method and characterized by DRS, FFIR, Raman and XRD. The photocatalytic activities of the prepared sample were investigated by photocatalytic degradation of ethylene in the gaseous phase under visible light irradiation (3.>450 nm). The results indicate that both of pure TiO2 and InVO4 or their simple mixture show no photocatalytic activities for degradation of ethylene under visible light irradiation. However, as-synthesized InVO4-TiO2 catalyzes the degradation of ethylene into CO2 under visible light irradiation. In addition, the interaction between InVO4 and TiO2 results in some structural distortion to all the crystal forms of TiO2 in as-synthesized catalyst InVO4-TiO2.

  11. Electronic and optical properties of anatase and rutile TiO_2:Nb%锐钛矿相和金红石相TiO_2:Nb的光电性能研究

    Institute of Scientific and Technical Information of China (English)

    章瑞铄; 刘涌; 滕繁; 宋晨路; 韩高荣

    2012-01-01

    采用基于密度泛函理论的第一性原理计算了锐钛矿相和金红石相TiO_2:Nb的晶体结构、电子结构和光学性质.结果表明,在相等的摩尔掺杂浓度下(6.25%),锐钛矿相TiO_2:Nb的导带底电子有效质量小于金红石相TiO_2:Nb,且前者室温载流子浓度是后者的两倍左右,即具有更大的施主杂质电离率,从而解释了锐钛矿相TiO_2:Nb比金红石相TiO_2:Nb具有更优异电学性能的实验现象.光学计算也表明锐钛矿相在可见光区有更大的透过率,从而在理论上解释了锐铁矿相TiO_2:Nb比金红石相'riO_2:Nb更适于做透明导电材料的原因.计算结果与实验数据能较好符合.%First-principles calculations based on the density functional theory are used to study the crystal structure,electronic and optical properties of Nb doped anatase and rutile TiO_2.The calculated results reveal that anatase TiO_2:Nb has a smaller effective mass and carriers nearly twice lager than those of rutile TiO_2:Nb under the same doping concentration.And anatase TiO_2:Nb also exhibits a greater room-temperature ionization of donors.Besides,the calculated optical properties indicate that anatase TiO_2:Nb has a more excellent transparency than rutile TiO_2:Nb.All the results suggest that anatase TiO_2:Nb is more applicable to transparent conductive oxides.The calculated results consist well with the available experimental results.

  12. Tuning the Photocatalytic Activity of Anatase TiO2 Thin Films by Modifying the Preferred <001> Grain Orientation with Reactive DC Magnetron Sputtering

    Directory of Open Access Journals (Sweden)

    B. Stefanov

    2014-08-01

    Full Text Available Anatase TiO2 thin films were deposited by DC reactive magnetron sputtering on glass substrates at 20 mTorr pressure in a flow of an Ar and O2 gas mixture. The O2 partial pressure (PO2 was varied from 0.65 mTorr to 1.3 mTorr to obtain two sets of films with different stoichiometry. The structure and morphology of the films were characterized by secondary electron microscopy, atomic force microscopy, and grazing-angle X-ray diffraction complemented by Rietveld refinement. The as-deposited films were amorphous. Post-annealing in air for 1 h at 500 °C resulted in polycrystalline anatase film structures with mean grain size of 24.2 nm (PO2 = 0.65 mTorr and 22.1 nm (PO2 = 1.3 mTorr, respectively. The films sputtered at higher O2 pressure showed a preferential orientation in the <001> direction, which was associated with particle surfaces exposing highly reactive {001} facets. Films sputtered at lower O2 pressure exhibited no, or very little, preferential grain orientation, and were associated with random distribution of particles exposing mainly the thermodynamically favorable {101} surfaces. Photocatalytic degradation measurements using methylene blue dye showed that <001> oriented films exhibited approximately 30% higher reactivity. The measured intensity dependence of the degradation rate revealed that the UV-independent rate constant was 64% higher for the <001> oriented film compared to randomly oriented films. The reaction order was also found to be higher for <001> films compared to randomly oriented films, suggesting that the <001> oriented film exposes more reactive surface sites.

  13. Rose Bengal sensitized bilayered photoanode of nano-crystalline TiO2-CeO2 for dye-sensitized solar cell application

    Science.gov (United States)

    Sayyed, Suhail A. A. R.; Beedri, Niyamat I.; Kadam, Vishal S.; Pathan, Habib M.

    2016-08-01

    The present work deals with the study of TiO2-CeO2 bilayered photoanode with low-cost Rose Bengal (RB) dye as sensitizer for dye-sensitized solar cell application. The recombination reactions are reduced in bilayered TiO2-CeO2 photoanode as compared to the single-layered CeO2 photoanode. Once the electrons get transferred from lowest unoccupied molecular orbital level of RB dye to the conduction band (CB) of TiO2, then the possibilities of recombination of electrons with oxidized dye molecules or oxidized redox couple are reduced. This is because the CB position of CeO2 is higher than that of TiO2, which blocks the path of electrons. The electrochemical impedance spectroscopy (EIS) analysis shows negative shift in frequency for bilayered TiO2-CeO2 photoanode as compared to CeO2 photoanode. Hence, in bilayered photoanode lifetime of electrons is more than in single-layered photoanode, confirming reduction in recombination reactions. The X-ray diffraction patterns confirm both anatase TiO2 and CeO2 with crystalline size using Scherrer formula as 24 and 10 nm, respectively. The scanning electron microscopy images of photoanode show the porous structure useful for dye adsorption. The presence of Ti and Ce is confirmed by electron diffraction studies. The band gap values for TiO2 and CeO2 were calculated as 3.20 and 3.11 eV, respectively, using diffused reflectance spectroscopy. The bilayered TiO2-CeO2 photoanode showed open-circuit voltage ( V OC) ~500 mV and short-circuit photocurrent density ( J SC) ~0.29 mA/cm2 with fill factor (FF) ~62.17 %. There is increase in V OC and J SC values by 66.67 and 38.10 %, respectively, compared to RB-sensitized CeO2 photoanode.

  14. Explanation of Effect of Added Water on Dye-Sensitized Nanocrystalline TiO2 Solar Cell: Correlation between Performance and Carrier Relaxation Kinetics

    Science.gov (United States)

    Zhao, Hui; Yin, Xiong; Li, Heng; Lin, Yuan; Weng, Yu-Xiang

    2007-11-01

    Time-resolved mid-IR transient absorption spectroscopy is employed to explore the mechanism of improving the performance of dye-sensitized TiO2 solar cell (DSSC) when a certain amount of H2O is added into the electrolyte. The relaxation kinetics of dye-sensitized TiO2 nanocrystalline film and the corresponding DSSC performance are investigated under different conditions. It is found that the interfacial charge recombination is retarded and electron injection efficiency is increased in the water vapour and in the electrolyte when D2O is added. The values of open-circuit photovoltage Voc and the short-circuit photocurrent Jsc of the cells are linearly correlated to the product of the two decay time constants. We also observed that Voc well correlates with electron injection efficiency. It provides a preliminary microscopic account for the function of the added water in improving the performance of DSSCs.

  15. Unexpected observation of spatially separated Kondo scattering and ferromagnetism in Ta alloyed anatase TiO2 thin films.

    Science.gov (United States)

    Sarkar, T P; Gopinadhan, K; Motapothula, M; Saha, S; Huang, Z; Dhar, S; Patra, A; Lu, W M; Telesio, F; Pallecchi, I; Ariando; Marré, D; Venkatesan, T

    2015-08-12

    We report the observation of spatially separated Kondo scattering and ferromagnetism in anatase Ta0.06Ti0.94O2 thin films as a function of thickness (10-200 nm). The Kondo behavior observed in thicker films is suppressed on decreasing thickness and vanishes below ~25 nm. In 200 nm film, transport data could be fitted to a renormalization group theory for Kondo scattering though the carrier density in this system is lower by two orders of magnitude, the magnetic entity concentration is larger by a similar magnitude and there is strong electronic correlation compared to a conventional system such as Cu with magnetic impurities. However, ferromagnetism is observed at all thicknesses with magnetic moment per unit thickness decreasing beyond 10 nm film thickness. The simultaneous presence of Kondo and ferromagnetism is explained by the spatial variation of defects from the interface to surface which results in a dominantly ferromagnetic region closer to substrate-film interface while the Kondo scattering is dominant near the surface and decreasing towards the interface. This material system enables us to study the effect of neighboring presence of two competing magnetic phenomena and the possibility for tuning them.

  16. Effects of adsorbed F, OH, and Cl ions on formaldehyde adsorption performance and mechanism of anatase TiO2 nanosheets with exposed {001} facets.

    Science.gov (United States)

    Zhou, Peng; Zhu, Xiaofeng; Yu, Jiaguo; Xiao, Wei

    2013-08-28

    Formaldehyde (HCHO), as the main indoor air pollutant, is highly needed to be removed by adsorption or catalytic oxidation from the indoor air. Herein, the F(-), OH(-), and Cl(-)-modified anatase TiO2 nanosheets (TNS) with exposed {001} facets were prepared by a simple hydrothermal and post-treatment method, and their HCHO adsorption performance and mechanism were investigated by the experimental analysis and theoretical simulations. Our results indicated that the adsorbed F(-), OH(-), and Cl(-) ions all could weaken the interaction between the HCHO and TNS surface, leading to the serious reduction of HCHO adsorption performance of TNS. However, different from F(-) and Cl(-) ions, OH(-) ion could induce the dissociative adsorption of HCHO by capturing one H atom from HCHO, resulting in the formation of one formyl group and one H2O-like group. This greatly reduced the total energy of the HCHO adsorption system. Thus, the adsorbed OH(-) ions could provide the additional active centers for HCHO adsorption. As a result, the NaOH-treated TNS showed the best HCHO adsorption performance mainly because its surface F(-) was replaced by OH(-). This study will provide new insight into the design and fabrication of high performance adsorbents for removing indoor HCHO and, also, will enhance the understanding of the HCHO adsorption mechanism.

  17. Role of molar concentration in structural, optical and gas sensing performance of anatase phase TiO2 nanofilms: automated nebulizer spray pyrolysis (ANSP) technique

    Science.gov (United States)

    Gopala Krishnan, V.; Elango, P.; Ganesan, V.

    2017-07-01

    TiO2 nanofilms were deposited on a glass substrate at 500 °C using automated nebulizer spray pyrolysis. The anatase polycrystalline structure with increased grain size and variations of surfactant planes ( T c) were influenced by molar concentration on XRD study. AFM study shows the average roughness values were increased with increase in molar concentration. A granular domain like microstructure with crack and void-free particle was examined by FESEM. The maximum transmittance 95.5% (529.6 nm) for x = 0.05 M/L, further increment of molar concentration showed the decremented transmittance with red shift absorption edge and the calculated band gap values ( E g = 3.53-3.20 eV) also noted. The gas sensing performances of films were studied with respect to various gas sensing parameters and the ammonia (NH3) gas showed better sensing response ( S max = 89%) at 150 °C for 300 ppm gas concentration against other gases (C2H6O, CH4O, C3H8O and C3H6O).

  18. Anatase TiO2 pillar-nanoparticle composite fabricated by layer-by-layer assembly for high-efficiency dye-sensitized solar cells.

    Science.gov (United States)

    Zhang, Guoliang; Pan, Kai; Zhou, Wei; Qu, Yang; Pan, Qingjing; Jiang, Baojiang; Tian, Guohui; Wang, Guofeng; Xie, Ying; Dong, Youzhen; Miao, Xiaohuan; Tian, Chungui

    2012-11-07

    The anatase TiO(2) pillar (PL)-TiO(2) nanoparticle (NP) composite is fabricated via layer-by-layer assembly. The composition of the nanostructures (i.e. the pillar-to-nanoparticle ratio) can be conveniently tuned by controlling the experimental conditions of the layer-by-layer assembly. It has been used to fabricate photoelectrodes for high-efficiency dye-sensitized solar cells (DSSCs), which combine the advantages of the rapid electron transport in PLs with the high surface area of NPs. It was found that, with optimum preparation conditions, DSSCs with the composite photoelectrode show a better photoelectrical conversion efficiency (8.06%) than those with either the naked PL photoelectrode or the mechanically mixed PL-NP photoelectrode. This is explained by the photoelectron injection drive force and the interfacial electron transport of the DSSCs, which are quantitatively characterized using the surface photovoltage spectra and electrochemical impedance spectroscopy measurements. It is evident that the DSSC with the optimal PL/NP ratio displays the largest photoelectron injection drive force and the fastest interfacial electron transfer.

  19. A novel photoelectrochemical flow cell with online mass spectrometric detection: oxidation of formic acid on a nanocrystalline TiO2 electrode.

    Science.gov (United States)

    Reichert, Robert; Jusys, Zenonas; Behm, R Jürgen

    2014-12-07

    A novel thin-layer photoelectrochemical flow cell allowing the online mass spectrometric detection of volatile reaction products during photoelectrocatalytic reactions has been developed and applied for separating the contributions from photoelectrochemical water splitting and photoelectrooxidation of formic acid to the overall photocurrent in formic acid containing aqueous solution, using a nanocrystalline TiO2 (P25) thin-film electrode. The data reveal a clear suppression of the water oxidation reaction to O2 in the presence of formic acid. Advantages of this flow cell design over conventional photoelectrochemical cells with stagnant electrolyte in terms of mass transport will be demonstrated and discussed.

  20. Effect of high energy electron beam irradiation on the optical properties of nanocrystalline TiO 2

    OpenAIRE

    Priyanka, K. P.; SUNNY JOSEPH; ANUTRESA SUNNY; THOMAS VARGHESE

    2013-01-01

    The effect of high energy electron beam irradiation on the optical properties of TiO 2 nanoparticles was studied in order to improve the optical absorption performance and photoactivity. Electron beam irradiation may have resulted in size reduction, which in turn caused an increase of the optical band gap and photoluminescence intensity. Irradiation at a suitable dose rate was found to enhance the optical absorption performance and photoactivity of the tested TiO 2 nanoparticles.

  1. Photodecomposition of volatile organic compounds using TiO2 nanoparticles.

    Science.gov (United States)

    Jwo, Ching-Song; Chang, Ho; Kao, Mu-Jnug; Lin, Chi-Hsiang

    2007-06-01

    This study examined the photodecomposition of volatile organic compounds (VOCs) using TiO2 catalyst fabricated by the Submerged Arc Nanoparticle Synthesis System (SANSS). TiO2 catalyst was employed to decompose volatile organic compounds and compare with Degussa-P25 TiO2 in terms of decomposition efficiency. In the electric discharge manufacturing process, a Ti bar, applied as the electrode, was melted and vaporized under high temperature. The vaporized Ti powders were then rapidly quenched under low-temperature and low-pressure conditions in deionized water, thus nucleating and forming nanocrystalline powders uniformly dispersed in the base solvent. The average diameter of the TiO2 nanoparticles was 20 nm. X-ray diffraction analysis confirmed that the nanoparticles in the deionized water were Anatase type TiO2. It was found that gaseous toluene exposed to UV irradiation produced intermediates that were even harder to decompose. After 60-min photocomposition, Degussa-P25 TiO2 reduced the concentration of gaseous toluene to 8.18% while the concentration after decomposition by SANSS TiO2 catalyst dropped to 0.35%. Under UV irradiation at 253.7 +/- 184.9 nm, TiO2 prepared by SANSS can produce strong chemical debonding energy, thus showing great efficiency, superior to that of Degussa-P25 TiO2, in decomposing gaseous toluene and its intermediates.

  2. Sol–gel synthesis of highly TiO2 aerogel photocatalyst via high temperature supercritical drying

    Directory of Open Access Journals (Sweden)

    Rebah Moussaoui

    2017-09-01

    Full Text Available Nanocrystalline powders of TiO2 xerogel and aerogel were prepared by using acid-modified sol–gel approach. For TiO2 aerogel material (TA, the solvent was high temperature supercritically extracted at 300 °C and 100 bars. However, the TiO2 xerogel material (TX was dried at 200 °C and ambient pressure. The effects of the drying processes on the crystalline structure, phase transformation and grain growth were determined by Raman spectroscopy, SAED and X-ray diffraction (XRD analyses using Rietveld refinement method. The TiO2 aerogel was composed of anatase crystalline structure. The TiO2 xerogel material was composed of anatase, brookite and small amount of amorphous phase with anatase as dominant phase. The TX sample still contains a relatively high concentration of carbon than that of TA, indicating the amorphous character of TiO2 xerogel. These materials were applied as catalyst for the degradation of indigo carmine in aqueous medium. Photo-degradation ability of TA and TX was compared to the TiO2 commercial Degussa P25. The photo-catalytic results showed that the degradation efficiency was in the order TA > P25 > TX. The photo-degradation of indigo carmine followed pseudo first order reaction kinetics.

  3. Formulations and processing of nanocrystalline TiO2 films for the different requirements of plastic, metal and glass dye solar cell applications.

    Science.gov (United States)

    Zardetto, Valerio; De Angelis, Gabriele; Vesce, Luigi; Caratto, Valentina; Mazzuca, Claudia; Gasiorowski, Jacek; Reale, Andrea; Di Carlo, Aldo; Brown, Thomas M

    2013-06-28

    We carried out a systematic study on the effect of nanocrystalline TiO2 paste formulations and temperature treatment on the performance of dye solar cells (DSCs) over a large temperature range, to provide useful information for the fabrication of both plastic and metal flexible devices. We compared conventional screen-printable and binder-free TiO2 pastes with a new formulation which includes hydroxylethyl cellulose (HEC), enabling the study of the effect of organic materials in the TiO2 layer in the whole 25-600 °C temperature range. Differently from the binder-free formulations where the device efficiency rose monotonically with temperature, the use of cellulose binders led to remarkably different trends depending on their pyrolysis and decomposition thresholds and solubility, especially at those temperatures compatible with plastic foils. Above 325 °C, where metal foil can be used as substrates, the efficiencies become similar to those of the binder-free paste due to effective binder decomposition and inter-nanoparticle bonding. Finally, we demonstrated, for the first time, that the simultaneous application of both temperature (110-150 °C) and pressure (100 MPa) can lead to a large improvement (33%) compared to the same mechanical compression method carried out at room temperature only.

  4. Self-assembly and photoelectric properties of cerium complexes with 3, 4, 9, 10-perylenetetracarboxylic acid on nanocrystalline TiO2 films

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Self-assembled (SA) films (PMP, M = Ce3+ or Ce4+) of 3,4,9,10-perylenetetracarboxylic acid (PTA) on nanocrystalline TiO2 films with Ce3+ or Ce4+ as a bridge were fabricated and characterized with UV-Vis, IR, and XPS synchrotron radiation photoelectron spectroscopy (SRPES) which gave the HOMO energy levels for the SA films. It was shown that thin-layer sandwich-type solar cells based on these SA films possess good properties for photoelectric conversion. While PTA-loaded TiO2 electrode (P) generated 26.9% of incident monochromatic photon-to-electron conversion efficiency (IPCE), PMP-sensitized TiO2 electrodes yielded 55.8% and 39.1% for Ce4+ and Ce3+ respectively. PMP films can be considered as a kind of complexes whose HOMO energy levels were proved to be higher than that of film P, which is one of the major reasons for the increase in IPCE from film P to film PMP.

  5. Preparation of Ti-Based Nanocrystalline TiO2 Film Electrode with High Activity%高活性Ti基纳米TiO2膜催化电极的制备

    Institute of Scientific and Technical Information of China (English)

    褚道葆; 沈广霞; 周幸福; 顾家山; 林昌健; 林华水

    2001-01-01

    采用“牺牲阳极法”恒槽压电解含有0.005 mol*L-1四乙基溴化铵的乙醇溶液,加入微量乙酰丙酮作稳定剂,电合成TiO2前驱体钛酸乙酯Ti(EtO)4,经水解、涂膜、煅烧制备Ti基纳米TiO2膜电极(Ti/nano-TiO2).TEM、SEM、XRD测试表明:TiO2颗粒尺寸在10~35 nm,膜厚达0.5 μm,主要为锐钛矿晶型,膜为多孔三维网状结构.循环伏安法研究了纳米TiO2膜电极对草酸还原为乙醛酸、硝基苯还原为对氨基苯酚反应的电催化活性,结果发现纳米膜中的Ti(Ⅳ)/Ti(Ⅲ)氧化还原电对起一种中介作用,可使有机物如草酸和硝基苯间接电还原,且电极催化活性高,性能稳定.%The potentiostatic electrosynthesis of Ti(EtO)4 was studied by anodic dissolution of metal titanium(TA1) in solution of 0.005 mol*L-1(EtO)4NBr in the ethanol (AR) in the presence negligible CH3COCH2COCH3.The Ti-based nanocrystalline TiO2 Film electrode (Ti/nano-TiO2) was prepared by sol-gel method.By TEM,SEM and XRD,it has been shown that the anatase particle of TiO2 was 10~35 nm in diameter and the film was 0.5 μm in thickness.The nanocrystalline film was composed of a three-diminsional network of interconnected particles.Reodx behavior and electrocatalytic activities of the Ti/nano-TiO2 electrode were investigated by cyclic voltammetry (CV) from oxalic acid and nitrobenzene to glyoxalic acid and p-aminionphenol. The Ti(Ⅳ)/Ti(Ⅲ) redox system,as a medium,shows highly electrocatalytic activities and stable characteristic to indirect electroreduction of organic compounds(e.g.:oxalic acid and nitrobenzene).

  6. Mixed phases of TiO2 nanopowders prepared by laser pyrolysis

    Science.gov (United States)

    Dumitrache, Florian V.; Alexandrescu, Rodica; Morjan, Ion G.; Sandu, Ion C.; Soare, Iuliana; Voicu, Ion N.; Fleaca, Claudiu T.; Ploscaru, Mihaela I.; Savoiu, M.; Vasile, Eugen; Ciupina, Victor

    2004-10-01

    TiO2 nano powder was prepared by laser pyrolysis of gas phase reactants. TiCl4 (vapor) was used as titanium precursor. The crystalline structures and morphologies of the powder have been analyzed by transmission electron microscopy (TEM), selected area electron diffraction (SAD) and Raman spectrometry. The different characterization techniques suggest that a nano-crystalline mixture of anatase and rutile is obtained.

  7. Use of co-spray pyrolysis for synthesizing nitrogen-doped TiO2 films

    Indian Academy of Sciences (India)

    Nho Pham Van; Pham Hoang Ngan

    2013-10-01

    Nitrogen-doped nanocrystalline TiO2 is well known as the most promising photocatalyst. Despite many years after discovery, seeking of efficient method to prepare TiO2 doped with nitrogen still attracts a lot of attention. In this paper, we present the result of using co-spray pyrolysis to synthesize nitrogen-doped TiO2 films from TiCl4 and NH4NO3. The grown films were subjected to XRD, SEM, photocatalysis, absorption spectra and visible-light photovoltaic investigations. All the deposited films were of nanosized polycrystal, high crystallinity, pure anatase and porosity. Specific characteristics involved nitrogen doping such as enhanced photocatalytic activity, bandgap narrowing, visible light responsibility and typical correlation of the photoactivity with nitrogen concentration were all exhibited. Obtained results proved that high photoactive nitrogen-doped TiO2 films can be synthesized by co-spray pyrolysis.

  8. Nanocrystalline porous TiO2 electrode with ionic liquid impregnated solid polymer electrolyte for dye sensitized solar cells.

    Science.gov (United States)

    Singh, Pramod K; Kim, Kang-Wook; Kim, Ki-Il; Park, Nam-Gyu; Rhee, Hee-Woo

    2008-10-01

    This communication reports the detailed fabrication of electrodes and solid polymer electrolyte with ionic liquid (IL) as an electrolyte for dye sensitized solar cell (DSSC). Thick porous TiO2 film has been obtained by spreading and sintering TiO2 colloidal paste using "doctor blade" and characterized by SEM, TEM and XRD. The polymer electrolyte was PEO:KI/I2 incorporated with 1-ethyl 3-methylimidazolium thiocyanate (EMImSCN) as IL. Dispersal of IL in the polymer electrolyte improved the ionic conductivity and cell efficiency.

  9. Fe­S共掺杂锐钛矿相TiO2的第一性原理研究%First­principles study on Fe­S co­doped anatase TiO2

    Institute of Scientific and Technical Information of China (English)

    吴国浩; 郑树凯; 刘磊

    2013-01-01

      利用基于密度泛函理论的第一性原理平面波超软赝势方法对未掺杂、Fe和S单掺杂及Fe­S共掺杂锐钛矿相TiO2的电子结构进行计算,分析Fe、S单掺杂及Fe­S共掺杂对锐钛矿相TiO2的晶体结构、能带、态密度和光吸收性质的影响。结果表明,掺杂后 TiO2的晶格发生畸变,原子间键长的变化使晶格发生膨胀;掺杂后 TiO2的禁带宽度减小,并在禁带中引入杂质能级,导致TiO2的吸收带边红移;与Fe和S单掺杂相比,Fe­S共掺杂锐钛矿相TiO2的吸收带边红移程度更大。%The electronic structures of Fe­doped, S­doped and Fe­S co­doped anatase TiO2 were calculated by the first­principles plane wave ultra­soft pseudo­potential method based on the density functional theory (DFT). The effects of doping on crystal structures, energy bands, density of states (DOS) and optical properties were analyzed. The results show that, after doping the lattices of TiO2 are distorted by the doping and the bond length change of atoms leads to the lattice expansion. The impurity levels in the band gap and the decrease of the forbidden band width lead to the red­shift of absorption band edge in anatase TiO2. Fe­S co­doped anatase TiO2 shows a stronger red­shift in the absorption band edge than the single Fe­doped and single S doped samples in the optical spectra.

  10. A Novel Salicylic Acid Group-containing Ru(Ⅱ) Complex for Sensitizing Nanocrystalline TiO2 Solar Cell

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    @@ Introduction Polypyridine Ru(Ⅱ) complexes have drawn special attention as the efficient sensitizer of photovoltaic cells based on nanocrystalline TiO2 since Gratzel's pioneering work on this subject[1].

  11. Negative Ames-test of cis-di(thiocyanato)-N,N'-bis(4,4'-dicarboxy-2,2'-bipyridine)Ru(II), the sensitizer dye of the nanocrystalline TiO2 solar cell

    NARCIS (Netherlands)

    Vries, J.G. de; Scholtens, B.J.R.; Maes, I.; Grätzel, M.; Winkel, S.; Burnside, S.; Wolf, M.; Hinsch, A.; Kroon, J.M.; Ahlse, M.; Tjerneld, F.; Ferrero, G.; Bruno, E.; Hagfeldt, A.; Bradbury, C.; Carlsson, P.; Pettersson, H.; Verspeek-Rip, C.M.; Enninga, I.C.

    2000-01-01

    Dye-sensitized nanocrystalline TiO2 solar cells are currently under development. Since these cells contain an electrolyte solution we reviewed the health and safety aspects in view of indoor applications, where personal contact cannot be excluded. Only small amounts of chemicals are present in each

  12. Photocatalytic Degradation Properties Studies of A New Nanocrystalline TiO2 Coating Film%一种新型纳米TiO2涂膜及其光催化性能的研究

    Institute of Scientific and Technical Information of China (English)

    吴凤清; 阮圣平; 李晓平; 高伟; 徐宝琨; 赵慕愚

    2000-01-01

    The TiO2 powder was prepared by a stearic acid gel method. XRD characterization indicated that the crystal form was anatase. The grain size, given out by Sherrer formula, is 19 nm. With polystyrene dissolved in toluene as binder, TiO2 adhered to the glassfibre substrate. By this method, the powder was immobilized and the crystal form, grain size and photocatalysis activities were wellmaintained. Photocatalysis degradation properties were investigated by putting the TiO2 immobilization film in the methyl orange aqueous system. The results indicated that the differences of degradation rate between the TiO2 immobilization film and powder were not obvious, which made waste water treatment using photocatalysis degradation technique possible in the practical application.

  13. Structure and high photocatalytic activity of (N, Ta)-doped TiO2 nanoparticles

    Science.gov (United States)

    Le, N. T. H.; Thanh, T. D.; Pham, V.-T.; Phan, T. L.; Lam, V. D.; Manh, D. H.; Anh, T. X.; Le, T. K. C.; Thammajak, N.; Hong, L. V.; Yu, S. C.

    2016-10-01

    A hydrothermal method was used to prepare three nano-crystalline samples of TiO2 (S1), N-doped TiO2 (S2), and (N, Ta)-codoped TiO2 (S3) with average crystallite sizes (D) of 13-25 nm. X-ray diffraction studies confirmed a single phase of the samples with a tetragonal/anatase structure. A slight increase in the lattice parameters was observed when N and/or Ta dopants were doped into the TiO2 host lattice. Detailed analyses of extended X-ray absorption spectra indicated that N- and/or Ta-doping into TiO2 nanoparticles influenced the co-ordination number and radial distance (R) of Ti ions in the anatase structure. Concerning their absorption spectra, (N, Ta)-doping narrowed the band gap (Eg) of TiO2 from 3.03 eV for S1 through 2.94 eV for S2 to 2.85 eV for S3. Such results revealed the applicability of these nanoparticles in the photocatalytic field working in the ultraviolet (UV)-visible region. Among these, photocatalytic activity of S3 was the strongest. By using S3 as a catalyst powder, the degradation efficiency of methylene blue solution was about 99% and 93% after irradiation of UV-visible light for 75 min and visible-light for 180 min, respectively.

  14. Explanation of Effect of Added Water on Dye-Sensitized Nanocrystalline TiO2 Solar Cell: Correlation between Performance and Carrier Relaxation Kinetics

    Institute of Scientific and Technical Information of China (English)

    ZHAO Hui; YIN Xiong; LI Heng; LIN Yuan; WENG Yu-Xiang

    2007-01-01

    Time-resolved mid-IR transient absorption spectroscopy is employed to explore the mechanism of improving the performance of dye-sensitized TiOi solar cell (DSSC) when a certain amount of HiO is added into the electrolyte. The relaxation kinetics of dye-sensitized TiO2 nanocrystalline film and the corresponding DSSC performance are investigated under different conditions. It is found that the interfacial charge recombination is retarded and electron injection efficiency is increased in the water vapour and in the electrolyte when D2O is added. The values of open-circuit photovoltage Voc and the short-circuit photocurrent Jsc of the cells are linearly correlated to the product of the two decay time constants. We also observed that Voc well correlates with electron injection efficiency. It provides a preliminary microscopic account for the function of the added water in improving the performance of DSSCs.

  15. Self-assembly and photoelectric properties of cerium complexes with 3,4,9,10-perylenetetracarboxylic acid on nanocrystalline TiO2 films

    Institute of Scientific and Technical Information of China (English)

    王忠胜; 黄春辉; 李富友; 杨术明; 翁诗甫; 付小艺; 吴念祖; 奎热西; 刘凤琴; 钱海杰

    2001-01-01

    Self-assembled (SA) films (PMP, M = Ce3+ or Ce4+) of 3,4,9,10-perylenetetracarboxylic acid (PTA) on nanocrystalline TiO2 films with Ce3+ or Ce4+ as a bridge were fabricated and characterized with UV-Vis, IR, and XPS synchrotron radiation photoelectron spectroscopy (SRPES) which gave the HOMO energy levels for the SA films. It was shown that thin-layer sandwich-type solar cells based on these SA films possess good properties for photoelectric conversion. While PTA-loaded TiO2 electrode (P) generated 26.9% of incident monochromatic photon-to-electron conversion efficiency (IPCE), PMP-sensitized Ti02 electrodes yielded 55.8% and 39.1% for Ce4+ and Ce3+ respectively. PMP films can be considered as a kind of complexes whose HOMO energy levels were proved to be higher than that of film P, which is one of the major reasons for the increase in IPCE from film P to film PMP.

  16. An investigation of the photosubstitution reaction between N719-dyed nanocrystalline TiO2 particles and 4-tert-butylpyridine

    DEFF Research Database (Denmark)

    Nour-Mohammadi, Farahnaz; Nguyen, Thai Hoang; Boschloo, Gerrit

    2007-01-01

    simple model experiments. In these experiments, colloidal solutions of N719-dyed nanocrystalline TiO2 particles in acetonitrile were irradiated with 532-nm laser light in the presence of 0-1mol/l of 4-TBP. Five degradation products were identified using LC-ESI-MS: the 4-tert-butylpyridine substitution...... concentration. Based on this observation, a degradation mechanism was proposed, in which the reaction proceeds through the rate-determining formation of a common intermediate complex, I=[RuII(H2dcbpy)2(NCS)(NCS)]+. An average degradation rate of kdeg=6×10-3s-1 was obtained from the value of Φdeg and the back...... electron-transfer rate, kback of the reaction TiO2+e-|N719+→TiO2|N719, obtained by means of photo-induced absorption (PIA) measurements. The lifetime of the solar cell sensitizer N719 was estimated to be between 34 years, based on kdeg and an average literature value of the regeneration rate, kreg=2×106M-1...

  17. Nanocrystalline Pt-doped TiO2 thin films prepared by spray pyrolysis for hydrogen gas detection

    Indian Academy of Sciences (India)

    Lalchand A Patil; Dinesh N Suryawanshi; Idris G Pathan; Dhanashri G Patil

    2014-05-01

    Nanostructured pure and Pt-doped TiO2 thin films were prepared by chemical spray pyrolysis technique. Aqueous solution of TiCl3.6H2O (0.01 M) was chosen as the starting solution for the preparation of pure TiO2 thin film. Aqueous solutions of PtCl6.6H2O (0.01 M) and TiCl3.6H2O (0.01 M) were mixed in volume % of 1 : 99, 2.5 : 97.5 and 5 : 95 respectively to obtain Pt-doped TiO2 thin films. The solutions were sprayed onto quartz substrate heated at 350 °C temperature to obtain the films. These thin films were fired for one hour at 550 °C. The sensing performance of these films was tested for various gases such as LPG, H2, CO2, ethanol, NH3 and Cl2 (1000 ppm). The Pt-doped TiO2 (1 : 99) was observed to be most sensitive (572) to H2 at 400 °C with high selectivity against other gases. Its response time was short (10 s) and recovery was also fast (14 s). To understand the reasons behind the gas-sensing performance of the films, their structural and micro-structral properties were studied using X-ray diffraction and electron microscopy (FE–SEM and TEM), respectively. Thicknesses of all these samples were determined using Surface Profiler. The results are interpreted.

  18. Energy Storage: Nitrogen-Doped Ordered Mesoporous Anatase TiO2 Nanofibers as Anode Materials for High Performance Sodium-Ion Batteries (Small 26/2016).

    Science.gov (United States)

    Wu, Ying; Liu, Xiaowu; Yang, Zhenzhong; Gu, Lin; Yu, Yan

    2016-07-01

    On page 3522, Y. Yu and co-workers fabricate nitrogen-doped ordered mesoporous TiO2 nanofibers (denoted as N-MTO) by electrospinning and subsequent nitridation treatment. Nitrogen atoms are successfully doped into the TiO2 lattice, accompanied by the formation of Ti(3+) and oxygen vacancies, contributing to the improvement of electronic conductivity of TiO2 . When used as an anode for a sodium-ion battery, the N-MTO demonstrates excellent rate capability and superior long cycling performance.

  19. Preparation and Photocatalytic Properties of Fe-I-codoped TiO2 Nanocrystalline%铁、碘共掺杂TiO2纳米晶的制备和光催化性能

    Institute of Scientific and Technical Information of China (English)

    苗挂帅; 马兴平; 王蓓; 张华荣

    2012-01-01

    采用溶胶--凝胶法制备铁、碘单掺杂及共掺杂的纳米晶TiO2光催化剂, 用X射线衍射(XRD)、X射线光电子能谱(XPS)和紫外可见(UV-is)漫反射光谱对其进行表征, 研究了其降解亚甲基蓝的光催化性能。结果表明, 催化剂样品为锐钛矿相, 平均粒径为7--15 nm。掺杂使样品的光吸收性能显著改善。掺杂I引起样品的晶粒尺寸减小和光吸收范围的拓展, 导致其光催化活性显著提高;对于共掺杂样品, 随着Fe掺杂量的增加, 其光催化活性呈现先增加后减小的变化趋势, 掺杂量为0.2%的光催化性能最好。根据Fe引入后样品晶粒尺寸、光吸收性能及能带结构等因素的变化, 对其光催化性能变化的机制进行了讨论。%Iron and iodine single doped and co-doped TiO2 nanocrystalline were prepared by the sol–gel method and investigated by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and ultraviolet-visible (UV-Vis) diffuse reflectance spectroscopy, respectively. The photocatalytic properties of the samples were evaluated by photocatalytic degrading methylene blue. The results show that all the samples are compose of the anatase phase and the average grain size is 7–15 nm. After the doping, the absorption properties of the samples obviously enhanced. After introducing I into TiO2, the photocatalytic activity of the sample is greatly improved due to the decrease of grain size and extending of optical absorption region. With the increase of Fe doping level, the photocatalytic activities of the codoped samples increase and then decrease gradually. The best photocatalytic property is presented in the codoped sample with 0.2% Fe doping. The mechanisms of the photocatalytic property changes were further discussed by several factors

  20. LiF-doped mesoporous TiO2 as the photoanode of highly efficient dye-sensitized solar cells

    Science.gov (United States)

    Neo, Chin Yong; Ouyang, Jianyong

    2013-11-01

    This paper reports the doping of nanocrystalline TiO2 with LiF by mechanical grinding and subsequent sintering and the application of LiF-doped TiO2 as the photoanode of highly efficient dye-sensitized solar cells (DSCs). The fluoride ions can dope into the TiO2 matrix as revealed by X-ray photoelectron spectroscopy (XPS). The LiF-doped TiO2 samples are characterized by scanning electron microscopy (SEM), tunneling electron microscopy (TEM), X-ray diffraction (XRD), and UV-visible absorption spectroscopy. Doping of TiO2 with a small amount of LiF can improve the photovoltaic performance of DSCs. At the optimal LiF loading of 0.53 wt% in TiO2, the power conversion efficiency (PCE) of DSCs is enhanced from 7.74% to 8.24% under simulated AM1.5 illumination. The effect of the LiF doping on the photovoltaic performance of DSCs is investigated by electrochemical impedance spectroscopy (EIS) and incident photon conversion efficiency (IPCE) measurements. The improvement in the photovoltaic efficiency is attributed to the facilitation of the electron transport through the TiO2 electrode as a result of the increase in the anatase crystallinity induced by the LiF doping. The enhanced anatase crystallinity also causes a decrease in the charge recombination.

  1. Nanostructured TiO2 films for dye-sensitized solar cells prepared by the sol-gel method.

    Science.gov (United States)

    Jin, Young Sam; Kim, Kyung Hwan; Park, Sang Joon; Yoon, Hyon Hee; Choi, Hyung Wook

    2011-12-01

    TiO2 films were prepared on glass substrates using the sol-gel process for a dye-sensitized solar cell application. The TiO2 sol was prepared using hydrolysis/polycondensation. Titanium (IV) Tetra Isopropoxide (TTIP) was used as precursor and Nitric acid (HNO3) was used as a catalyst for the peptization. The crystal structure and morphology of the prepared materials were characterized by XRD, and an SEM. The observations confirmed the nanocrystalline nature of the TiO2. The reaction parameters, such as the catalyst concentrations, the calcination time, and the calcination temperature were varied during the synthesis in order to achieve nanosize TiO2 particles. The prepared TiO2 particles were coated onto FTO glass using a screen printing technique. The prepared TiO2 films were characterized by UV-vis. The TiO2 particles calcinated at low temperatures showed an anatase phase they grew into a rutile phase when the calcination temperature increased. The size and structure of the TiO2 particles were adjusted to specific surface areas. It was found that the conversion efficiency of the DSSC was highly affected by the properties of the TiO2 particles.

  2. LATTICE DEFORMATION AND PHASE TRANSFORMATION FROM NANO-SCALE ANATASE TO NANO-SCALE RUTILE TiO2 PREPARED BY A SOL-GEL TECHNIQUE

    Institute of Scientific and Technical Information of China (English)

    Yanqun Shao; Dian Tang; Jinghua Sun; Yekun Lee; Weihao Xiong

    2004-01-01

    Nano-scale rutile phase was transformed from nano-scale anatase upon heating, which was prepared by a sol-gel technique. The XRD data corresponding to the anatase and rutile phases were analyzed and the grain sizes of as-derived phases were calculated by Sherrer equation. The lattice parameters of the as-derived anatase and rutile unit cells were calculated and compared with those of standard lattice parameters on PDF cards. It was shown that the smaller the grain sizes, the larger the lattice deformation. The lattice parameter a has the negative deviation from the standard and the lattice parameter c has the positive deviation for both phases. The particles sizes had preferential influence on the longer parameter between the lattice parameters of a and c. With increasing temperatures, the lattice parameters of a and c in both phases approached to the equilibrium state. The larger lattice deformation facilitated the nucleation process, which lowered the transformation temperature. During the transformation from nano-scale anatase to rutile, besides the mechanism involving retention of the {112} pseudo-close-packed planes of oxygen in anatase as the{100} pseudo-close-packed planes in rutile, the new phase occurred by relaxation of lattice deformation and adjustment of the atomic sites in parent phase. The orientation relationships were suggested to be anatase {101}//rutile {101} and anatase //rutile, and the habit plane was anatase (101),

  3. Unusual Changes in Electronic Band-Edge Energies of the Nanostructured Transparent n-Type Semiconductor Zr-Doped Anatase TiO2 (Ti1-xZrxO2; x < 0.3).

    Science.gov (United States)

    Mieritz, Daniel G; Renaud, Adèle; Seo, Dong-Kyun

    2016-07-05

    By the establishment of highly controllable synthetic routes, electronic band-edge energies of the n-type transparent semiconductor Zr-doped anatase TiO2 have been studied holistically for the first time up to 30 atom % Zr, employing powder X-ray diffraction, scanning electron microscopy, transmission electron microscopy, nitrogen gas sorption measurements, UV/vis spectroscopies, and Mott-Schottky measurements. The materials were produced through a sol-gel synthetic procedure that ensures good compositional homogeneity of the materials, while introducing nanoporosity in the structure, by achieving a mild calcination condition. Vegard's law was discovered among the homogeneous samples, and correlations were established between the chemical compositions and optical and electronic properties of the materials. Up to 20% Zr doping, the optical energy gap increases to 3.29 eV (vs 3.19 eV for TiO2), and the absolute conduction band-edge energy increases to -3.90 eV (vs -4.14 eV). The energy changes of the conduction band edge are more drastic than what is expected from the average electronegativities of the compounds, which may be due to the unnatural coordination environment around Zr in the anatase phase.

  4. First-Principles Investigation of (001) Surface of TiO2

    Institute of Scientific and Technical Information of China (English)

    张华; 戴松元; 王孔嘉

    2004-01-01

    By means of first-principles calculations based on the ab initio pseudopotential and plane wave basis, we present self-consistent molecular dynamic calculations to determine a clean TiO2 crystal (001) surface geometry and surface electronic states structure. All calculations were performed for both rutile and anatase phases. Using a total energy minimization strategy, we acquired the general inward relaxations. The s-like surface states just above the lower valence band at (001) surfaces both in the rutile and anatase phases are found. The band bending effect occurs both in rutile and anatase (001) surfaces. It reduces the band gap by ac. 0.4 eV in rutile and ac. 0.8 eV in anatase, elevating the Fermi energy levels. Besides the band bending of the valence band, surface states also lie near the bottom of the conduction band. The lower surface energy of anatase makes nanocrystalline TiO2 is often in the anatase phase below a critical size. Our results are in good agreement with the previous work and experimental data.

  5. Enhanced Visible-Light Photocatalytic Performance of Nanosized Anatase TiO2 Doped with CdS Quantum Dots for Cancer-Cell Treatment

    Directory of Open Access Journals (Sweden)

    Kangqiang Huang

    2012-01-01

    Full Text Available CdS quantum-dots-(QDs-doped TiO2 nanocomposites were successfully synthesized using the sol-gel technique and characterized by SEM, TEM, XRD, EDS, UV-Vis, and FS. They were then used as a new “photosensitizer” based on photodynamic therapy (PDT for cancer-cell treatment. The photocatalytic activities of CdS-TiO2 on leukemia tumors were investigated by using Cell Counting Kit-8 (CCK-8 assay. The ultrastructural morphology of treated cells was also studied by AFM. The experimental results indicated that an obvious inhibition of tumor growth would be observed in groups treated with CdS-TiO2 nanocomposites, and the PDT efficiency in the presence of CdS-doped TiO2 was significantly higher than that of TiO2, revealing that the photocatalytic activities of TiO2 could be effectively enhanced by the modification of CdS QDs. Additionally, CdS- TiO2 can exhibit a very high photodynamic efficiency of 80.5% at a final concentration of 200 μg/mL under visible-light irradiation. CdS-TiO2 nanocomposites in this case were regarded as a promising application for cancer-cell treatment.

  6. Improving the Photocatalytic Activity of Modified Anatase TiO2 with Different Concentrations of Aluminum under Visible Light: Mechanistic Survey.

    Science.gov (United States)

    Afshar, Shahrara; Pordel, Shabnam; Tahmouresilerd, Babak; Azad, Alireza

    2016-11-01

    Visible light-driven Al-doped TiO2 with different aluminum contents (2, 5 and 10 mol%) were synthesized via a facile sol-gel method. Fourier transform infrared (FTIR), UV-visible diffuse reflectance, energy dispersive X-ray (EDX) spectroscopy as well as X-ray diffraction (XRD), X-ray fluorescence (XRF) and scanning electron microscopy (SEM) methods were used for the characterization of the obtained nanoparticles. The photocatalytic performance of the samples was evaluated by the degradation of rhodamine B (RhB) under visible light irradiation. The yield of the degradation RhB was estimated to be 71%, 89%, 65% and 56%, for the bare TiO2 , 2%, 5% and 10% Al-doped TiO2 , respectively. It was found that 2 mol% of Al-doped TiO2 shows the best photocatalytic performance. In low concentration of dopant, separation of photogenerated electron-hole pairs promoted, and subsequently, the degradation efficiency increased. It was proposed that the degradation of RhB by 2 mol% Al-doped TiO2 photocatalyst follows both N-deethylation and chromophore cleavage mechanisms, while the N-deethylation still predominated over cleavage of dye chromophore structure. The key role of hydroxyl radicals in RhB degradation was verified by the effects of scavengers. In addition, the photocatalyst can be reused for three runs without any significant loss of its catalytic activity.

  7. Synthesis of Pt-Loaded Self-Interspersed Anatase TiO2 with a Large Fraction of (001) Facets for Efficient Photocatalytic Nitrobenzene Degradation.

    Science.gov (United States)

    Wang, Wei-Kang; Chen, Jie-Jie; Li, Wen-Wei; Pei, Dan-Ni; Zhang, Xing; Yu, Han-Qing

    2015-09-16

    TiO2 is capable of directly utilizing solar energy for sustainable energy harvest and water purification. Facet-dependent performance of TiO2 has attracted enormous interests due to its tunable photocatalytic activity toward photoredox transformations, but information about the noble-metal-loaded TiO2 for its facet-dependent photocatalytic performance, especially in pollutant degradation systems, is limited. In this work, inspired by our previous theoretical calculations about the roles of the crystal surface in Pt-loaded TiO2 in its enhanced photocatalytic capacity, TiO2 nanocrystals with interspersed polyhedron nanostructures and coexposed (001) and (101) surfaces as a support of Pt nanoparticles are prepared in a simple and relatively green route. Also, their performance for photocatalytic degradation of nitrobenzene (NB), a model organic pollutant, is explored. The experimental results demonstrate that the NB photodegradation and photoconversion efficiencies are significantly enhanced by uniformly loading Pt nanoparticles on the crystal surfaces, but the Pt nanoparticles deposited on only the (101) surface have no contribution to the improved NB photodegradation. Furthermore, the liquid chromatography mass spectrometry results also show that NB photodegradation tends to proceed on the (001) surface of Pt/TiO2 for the generation of nitrophenol intermediates through the photooxidation pathway. This work provides a new route to design and construct advanced photocatalysts toward pollutant photoredox conversions and deepens our fundamental understanding about crystal surface engineering.

  8. Hole-Conductor-Free Mesoscopic TiO2/CH3NH3PbI3 Heterojunction Solar Cells Based on Anatase Nanosheets and Carbon Counter Electrodes.

    Science.gov (United States)

    Rong, Yaoguang; Ku, Zhiliang; Mei, Anyi; Liu, Tongfa; Xu, Mi; Ko, Songguk; Li, Xiong; Han, Hongwei

    2014-06-19

    A hole-conductor-free fully printable mesoscopic TiO2/CH3NH3PbI3 heterojunction solar cell was developed with TiO2 nanosheets containing high levels of exposed (001) facets. The solar cell embodiment employed a double layer of mesoporous TiO2 and ZrO2 as a scaffold infiltrated by perovskite as a light harvester. No hole conductor or Au reflector was employed. Instead, the back contact was simply a printable carbon layer. The perovskite was infiltrated from solution through the porous carbon layer. The high reactivity of (001) facets in TiO2 nanosheets improved the interfacial properties between the perovskite and the electron collector. As a result, photoelectric conversion efficiency of up to 10.64% was obtained with the hole-conductor-free fully printable mesoscopic TiO2/CH3NH3PbI3 heterojunction solar cell. The advantages of fully printable technology and the use of low-cost carbon-materials-based counter electrode and hole-conductor-free structure provide this design a promising prospect to approach low-cost photovoltaic devices.

  9. First-Principles Study of Adsorption of Dimethyl Methylphosphonate on the TiO2 Anatase (001) Surface: Formation of a Stable Titanyl (Ti=O) Site

    Science.gov (United States)

    2011-03-10

    Anatase (001) Surface: Formation of a Stable Titanyl (TidO) Site V. M. Bermudez Electronics Science and Technology Division, Naval Research Laboratory...bond at a 5-fold-coordinated Ti5c site. Figure 1 shows a model 25 for the corresponding structure on anatase (101) and also identifies the T5c, Ti6c...the UHV experimental data, computational results for DMMP on OH-free rutile (110) and anatase (101) and (100) surfaces24,25 find that dissociation is

  10. Raman spectral analysis of TiO2 thin films doped with rare-earth samarium.

    Science.gov (United States)

    Yang, Chang-Hu; Ma, Zhong-Quan

    2012-08-01

    TiO(2) thin films doped with rare-earth samarium were prepared on a quartz plate by the sol-gel/spin-coating technique. The samples were annealed at 700 °C to 1100 °C, and the Raman spectra of the samples were obtained. Analyses of Raman spectra show that samarium doping can inhibit the anatase-rutile phase transition. Samarium doping can refine grains of TiO(2) thin films and increase the internal stress, thereby preventing lattice vibration. Nanocrystalline TiO(2) thin films obviously show the phonon confinement effect, i.e., the blueshift of characteristic Raman peak and full width at half-height increase, and the peak shapes asymmetrically broaden with a decrease in the grain sizes of the samples.

  11. First-principles study of N/Cu co-dop ed anatase TiO2%N/Cu共掺杂锐钛矿型TiO2第一性原理研究∗

    Institute of Scientific and Technical Information of China (English)

    杨军; 苗仁德; 章曦

    2015-01-01

    基于密度泛函理论的第一性原理平面波超软赝势法,采用局域自旋密度近似加Hubbard U值方法研究了纯锐钛矿型TiO2, N, Cu单掺杂TiO2及N/Cu共掺杂TiO2的晶体结构、电子结构和光学性质。研究结果表明,掺杂后晶格发生相应畸变,晶格常数变大。 N和Cu的掺杂在TiO2禁带中引入杂质能级,禁带宽度发生相应改变。对于N掺杂TiO2禁带宽度减小较弱,而Cu掺杂和N/Cu共掺TiO2禁带宽度显著降低,导致吸收光谱明显红移,光学催化性增强,有利于实际应用。%Using the first-principles plane-wave ultra-soft pseudo-potential method based on the density functional theory, the structures, electronic-structures and optical properties of pure anatase TiO2, N (Cu) doped TiO2, and N/Cu co-doped TiO2 crystal are studied by the local-spin density approximation plus Hubbard U method. It is shown that the lattice constants become larger because of the lattice distortion caused by doping. Impurity levels in the band gap of TiO2 are introduced by N and Cu doping, and the forbidden band width is correspondingly changed. For N doped TiO2, the reduction of the band gap is weak, while the N/Cu co-doped TiO2 band gap decreases remarkably. It leads to a red shift of visible absorption spectrum and enhances optical catalysis. The effect is useful for the practical application of photo-catalytic.

  12. Dynamics of charge at water-to-semiconductor interface: Case study of wet [0 0 1] anatase TiO2 nanowire

    Science.gov (United States)

    Huang, Shuping; Balasanthiran, Choumini; Tretiak, Sergei; Hoefelmeyer, James D.; Kilina, Svetlana V.; Kilin, Dmitri S.

    2016-12-01

    The behavior of water molecules on the surfaces of the TiO2 nanowire grown in [0 0 1] direction has been investigated by combining theoretical calculations and experiments. Calculated UV-visible absorption spectra reproduce the main features of the experimental spectra. Computations predict that a photoexcitation followed by a sequence of relaxation events results in photoluminescence across the gap. TiO2 nanowires in vacuum and aqueous environment exhibit different dynamics of photo-excited charge carriers. In water, computed relaxation of electrons (holes) is approximately 2 (4) times faster compared with vacuum environment. Faster relaxation of holes vs. electrons and specific spatial localization of holes result to formation of long lived charge transfer excitation with positive charge at the surface of the nanowire. Comparison of relaxation process in TiO2/water interfaces focusing on different surfaces and nanostructures has potential in identifying structural characteristics of TiO2 materials important for efficient photo-electrochemical water splitting.

  13. Photo-electrochemical studies of chemically deposited nanocrystalline meso-porous n-type TiO2 thin films for dye-sensitized solar cell (DSSC) using simple synthesized azo dye

    Science.gov (United States)

    Ezema, C. G.; Nwanya, A. C.; Ezema, B. E.; Patil, B. H.; Bulakhe, R. N.; Ukoha, P. O.; Lokhande, C. D.; Maaza, Malik; Ezema, Fabian I.

    2016-04-01

    Nanocrystalline titanium dioxide (TiO2) thin films were deposited by successive ionic layer adsorption and reaction method onto fluorine doped tin oxide coated glass substrate at room temperature (300 K). Titanium trichloride and sodium hydroxide were used as cationic and anionic sources, respectively. The as-deposited and annealed films were characterized for structural, morphological, optical, electrical and wettability properties. The photoelectrochemical study of TiO2 sensitized with a laboratory synthesized organic dye (azo) was evaluated in the polyiodide electrolyte at 40 mW cm-2 light illumination intensity. The photovoltaic characteristics show a fill factor of 0.24 and solar conversion efficiency value of 0.032 % for a TiO2 thickness of 0.96 µm as compared to efficiency of 0.014 % for rose Bengal of the same thickness.

  14. Nanocrystalline TiO2-HClO4: A novel, efficient and recyclable catalyst for the chemoselective N-Boc protection of amines under solvent-flee conditions

    Institute of Scientific and Technical Information of China (English)

    Farhad Shirini; Seyyed Vahid Atghia; Mojtaba Ghazi Jirdehi

    2013-01-01

    Nanocrystalline TiO2-HClO4,as newly reported catalyst,has been used as an efficient and reusable catalyst for the chemoselective N-Boc protection of amines.The clean,mild acidity condition,quantitative yields of products,short reaction time and low reaction temperature are attractive features of this reaction.In practice,this method is a combination of a satisfactory synthesis and more significantly easy product isolation and purification.

  15. 蒸汽处理钛酸制备锐钛矿相TiO2纳米晶体的光催化性能%Photocatalytic Properties of Anatase TiO2 Nanocrystal Prepared by Steam Treatment

    Institute of Scientific and Technical Information of China (English)

    董国义; 高琳洁; 王颖; 刘清波; 李志强; 韦志仁

    2011-01-01

    Sodium titanate fibers with lengths over 10 fun and widths of 10-100 nm were synthesized via hydrothermal method using anatase TiO2 as titanium source and NaOH as mineralizer, the products were characterized by transmission electron microscopy ( TEM ) and X-ray diffraction ( XRD ). Using steam hydrothermal method to further treat sodium titanate nanofibers which was washed by HC1, anatase TiO2 nanofibers with character of self-organizing were synthesized. Their degradation performance of methylene blue under 1 kW ultraviolet lamp and long-term stability was investigated. Photocatalytic experiments indicated that the obtained anatase TiO2 nanofibers are highly active for methylene blue, and these nanocrystal catalysts could be easily recycled without decreasing of the photocatalytic activity.%采用水热法,以锐钛矿相TiO2为原料,10 mol/L NaOH溶液作为矿化剂,合成了钛酸钠纤维.用XRD和TEM对产物进行了表征,观察到纤维长度超过10 μm,宽度为10~100 nm.酸洗后对其进行二次蒸汽处理,得到了具有自组织趋势的锐钛矿相纳米TiO2晶体纤维.以1 kW紫外灯为光源,分析了合成的锐钛矿相TiO2纳米晶体的光催化降解亚甲基蓝性能及其长期稳定性.结果表明:合成的锐钛矿相TiO2纳米晶体对亚甲基蓝的光降解活性很高,纳米晶体易回收,且循环使用光催化活性没有发生衰减.

  16. W-N共掺杂锐钛矿相TiO2的第一性原理计算%First Principle Calculation of W-N Co-doped Anatase TiO2

    Institute of Scientific and Technical Information of China (English)

    郑树凯; 吴国浩; 刘磊; 王芳

    2013-01-01

    The band structure,electronic density of states and absorption spectrum of W-N co-doped anatase TiO2 were calculated using first principle based on the density functional theory.The results indicate that W-N co-doping does not change the band gap of anatase TiO2,while N 2p doping energy level is incorporated into the band gap above the valence band maximum,and its Fermi energy level is located at the conduction band.W 5d orbital provides contributions to the bottom edge of valence band and conduction band,whereas N 2p contributes its orbital to the upper edge of valence band maximum and the isolated doping energy level located in the band gap.W-N co-doping enhances the absorption ability of anatase TiO2 in the wave length range from 340 to 800 nm.%利用基于密度泛函理论的第一性原理方法对W-N共掺杂锐钛矿相TiO2的能带结构、电子态密度及吸收光谱进行计算.结果表明,W-N共掺杂未改变锐钛矿相TiO2的禁带宽度,仅在TiO2价带顶附近引入N的2p杂质能级,并且掺杂系统的费米能级处于导带之内;W的5d轨道主要对TiO2的价带底下边沿和导带有贡献,N的2p轨道主要对TiO2的价带顶上边沿和禁带内的孤立能级有贡献;W-N共掺杂增强了锐钛矿相TiO2在340~800 nm波长范围内的光吸收能力.

  17. Removal of cationic Rhodamine-B dye using nano-titania with anatase crystalline structure and kinetic analysis of the photocatalytic reaction

    Science.gov (United States)

    Zhang, Dongfang

    2013-01-01

    Heterogeneous photocatalytic removal of Rhodamine-B (RhB) dye from liquid phase was done using anatase-phase nanocrystalline TiO2 synthesized via a modified sol-gel process. The anatase-phase nanocrystalline TiO2 was characterized using various analytical techniques including XRD, UV-vis DRS, PL, and FTIR to investigate its phase composition and structure, nanocrystalline size, band gap energy, photoluminescence and surface properties of the prepared systems. The photocatalytic discoloration efficiency of anatase-phase nanocrystalline titania was investigated by monitoring the decomposition of RhB dye as target compounds in an aqueous solution. The results showed that the as-prepared anatase-phase nanocrystalline TiO2 was excellent for degradation of RhB molecule, and the crystallite size, excitonic PL and surface hydroxyl content have intimate relationship with the decomposition efficiency of RhB. The reaction mechanism was proposed and the results demonstrate that the role of direct photolysis on RhB dye degradation can be neglected. Meanwhile, the Langmuir-Hinshelwood kinetic model describes the photodecay date of RhB in consistent with a first order powder law and thus photocatalytic oxidation reaction followed a pseudo-first-order kinetics.

  18. Preparation and Analysis of Nano-Crystallite Anatase Phase TiO2 Thin Films%纳米锐钛矿型TiO2薄膜的制备及分析

    Institute of Scientific and Technical Information of China (English)

    辛荣生; 林钰; 蔡彬; 胡斌

    2011-01-01

    采用反应磁控溅射法在玻璃衬底上制备锐钛矿相TiO2薄膜,研究了工艺条件中的氧氩流量比对薄膜润湿角的影响以及溅射气压对薄膜微观结构的影响.对不同氧氩流量比(分别为1/40,1/20,1/10和1/5)时制备的TiO2薄膜进行润湿角测量,润湿角照片显明:氧氩比1/5时薄膜润湿角可减小到8°左右,即提高氧氩比能增强TiO2薄膜的自洁净性能.X射线衍射(XRD)分析表明:当溅射气压降到1.0 Pa时,可以得到锐钛矿型TiO2薄膜晶体,0.5Pa时的XRD图衍射峰更为明显.用分光光度计测量了TiO2薄膜的紫外吸收光谱.由光谱曲线上光吸收阈值与半导体带隙之间的关系计算出了TiO2薄膜的禁带宽度为3.42 eV,表明TiO2薄膜的吸收边出现了一定的蓝移.根据 XRD图谱计算TiO2薄膜的晶粒尺寸,得到的薄膜晶粒尺寸在十几纳米左右,由此说明了TiO2薄膜吸收边发生蓝移的原因;按照锐钛矿相TiO2薄膜XRD图25.3°衍射峰对应的(101)晶面,由Bragg方程计算出其晶面间距为0.3521 nm.表明TiO2薄膜晶体发生了一定的晶格畸变.%The anatase phase TiO2 thin films were prepared on the glass substrates by DC reactive magnetron sputtenng method.The influence of technological condition, such as the O2/Ar flow ratio, on contact angle of the filma and the sputtering pressure on the microstructure of the films, was studied respectively.The contact angle of TiO2 films prepared in different O2/Ar flow ratio ( 1/40 , 1/20,1/10 and 1/5 ) were measured respectively.The contact angle photograph showed that the film contact angle could be reduced to 8° or so when the O2/Ar ratio was 1/5 , this meant that the self-clean property of TiO2 films could be enhanced by increasing O2/Ar ratio.Analysis of X-ray diffraction ( XRD) ahowed that the crystal of anatase phase TiO2 films could be obtained when the sputtering pressure was decreased to 1.0 Pa, the diffraction peak of XRD apectrum was more prominent when the

  19. para-Dialkylaminophenyl Dyes for Efficient Nanocrystalline TiO2 Sensitization in Far-red Region

    Institute of Scientific and Technical Information of China (English)

    LI, Chao; ZHOU, Jia-Hong; CHEN, Jing-Rong; CHEN, You-Sheng; ZHANG, Xue-Hua; DING, Hui-Ying; WANG, Wei-Bo; WANG, Xue-Song; ZHANG, Bao-Wen

    2006-01-01

    Four para-dialkylaminophenyl (PDAAP1-PDAAP4) bearing carboxyl groups were studied for application to the dye-sensitized solar cells (DSC). It was found the short spacer CH2 between carboxyl and dialkylaminophenyl chromophore in PDAAP3 and PDAAP4 led to highly efficient monochromatic incident photon-to-current conversion efficiencies (IPCE), however the long alkyl group C4H9 attached on aniline moieties in PDAAP2 and PDAAP4favored improvement of open-circuit photovoltage. Thus, the solar cell sensitized by PDAAP4, having both short carboxyl groups CH2COOH and long alkyl groups C4H9, exhibited the IPCE maximum of 73% at 670 nm and overall energy conversion efficiency ηof 3.06%, representing the highest IPCE and ηvalues so far in dialkylaminophenyl-based organic dye-sensitized semiconductor solar cells. Taking advantage of the highly efficient sensitizing ability of PDAAP4 in far-red region, the data of IPCE above 630 nm of the solar cells were improved greatly by cosensitization with both N3 and PDAAP4. The influences of the TiO2 film thickness and the concentration of4-tert-butylpyridine (TBP) in electrolyte were also investigated.

  20. The effect of optical properties on photovoltaic performance in dye-sensitized TiO2 nanocrystalline solar cells.

    Science.gov (United States)

    Ji, Ya-Jun; Zhang, Ming-Dao; Cui, Jie-Hu; Zheng, He-Gen; Zhu, Jun-Jie

    2013-06-01

    In this study, well-crystallized TiO2 nanoparticles with average size of -20 nm were synthesized by hydrolysis of titania salt in aqueous medium. The effect of the optical properties of the obtained titania particles based thin films with different thickness on the photovoltaic performance of dye-sensitized solar cells were investigated. Differential thermal analysis/thermo-gravimetric analysis, scanning electron microscopy, transmission electron microscopy and X-ray diffraction were used to characterize the morphology, structure and crystal formation of the obtained samples. The optical properties such as reflectance and transmittance of the photoanodes with different thickness were systematically investigated. The reflectance property increased with increasing the film thickness, however, the transmittance property showed the opposite way. The improved scattering property with increasing the film thickness facilitated efficient utilization of solar spectrum, which was verified by incident photon-to-current conversion efficiency. The maximum energy conversion efficiency of 5.0% was achieved on photoelectrode film with 17.8 microm.

  1. Enhanced photovoltaic performance of dye-sensitized solar cells based on NaYF4:Yb(3+), Er(3+)-incorporated nanocrystalline TiO2 electrodes.

    Science.gov (United States)

    Zhu, Guang; Wang, Hongyan; Zhang, Quanxin; Zhang, Li

    2015-08-01

    Near infrared to visible up-conversion of light by rare earth ion-doped phosphors (NaYF4:Yb(3+), Er(3+)) that convert multiple photons of lower energy to higher energy photons offer new possibilities for improved performance of photovoltaic devices. Here, up-conversion phosphor NaYF4:Yb(3+), Er(3+) doped nanocrystalline TiO2 films are designed and used as a electrode for dye-sensitized solar cells, and the photovoltaic performance of DSSCs based on composite electrodes are investigated. The results show the cell with NaYF4:Yb(3+), Er(3+) achieves a power conversion efficiency of 7.65% under one sun illumination (AM 1.5G, 100mWcm(-2)), which is an increase of 14% compared to the cell without NaYF4:Yb(3+), Er(3+) (6.71%). The performance improvement is attributed to the dual effects of enhanced light harvesting from extended light absorption range and increased light scattering, and lower electron transfer resistance.

  2. Basella alba rubra spinach pigment-sensitized TiO2 thin film-based solar cells

    Science.gov (United States)

    Gokilamani, N.; Muthukumarasamy, N.; Thambidurai, M.; Ranjitha, A.; Velauthapillai, Dhayalan

    2015-03-01

    Nanocrystalline TiO2 thin films have been prepared by sol-gel dip coating method. The X-ray diffraction results showed that TiO2 thin films annealed at 400, 450 and 500 °C are of anatase phase and the peak corresponding to the (101) plane is present in all the samples. The grain size of TiO2 thin films was found to increase with increasing annealing temperature. The grain size is found to be 20, 25 and 33 nm for the films annealed at 400, 450 and 500 °C. The structure of the TiO2 nanocrystalline thin films have been examined by high-resolution transmission electron microscope, Raman spectroscopy and FTIR spectroscopy. TiO2 thin films were sensitized by natural dyes extracted from basella alba rubra spinach. It was found that the absorption peak of basella alba rubra extract is at about 665 nm. The dye-sensitized TiO2-based solar cell sensitized using basella alba rubra exhibited a J sc of 4.35 mA cm-2, V oc of 0.48 V, FF of 0.35 and efficiency of 0.70 %. Natural dyes as sensitizers for dye-sensitized solar cells are promising because of their environmental friendliness, low-cost production and fully biodegradable.

  3. 锐钛矿相TiO2纳米纤维制备与摩擦学性能%Preparation of Anatase TiO2 Nanofiber and Its Tribological Properties as Additive in Liquid Paraffin

    Institute of Scientific and Technical Information of China (English)

    刘琳; 阴翔宇; 张月; 钱建华

    2013-01-01

    Anatase TiO2 nanofiber was prepared via an available alkaline hydrothermal method and surface modified. The obtained products were characterized by using X-ray diffraction (XRD), scanning electron microscope (SEM) measurements and Fourier transform infrared spectroscopy (FT-IR). The as-prepared TiO2 nanofiber could be well dispersed in liquid paraffin, and its tribological properties as additive were evaluated with a four-ball tester. The results showed that the as-prepared TiO2 nanofiber exhibited good performance in anti-wear and friction-reduction, load-carrying capacity, and extreme pressure properties. When addition amount of the as-prepared TiO2 nanofiber was 1.5% of mass fraction in liquid paraffin, the best anti-friction wear reducing and bearing capacity enhancing were obtained, which made the TiO2 nanofiber promising for green lubricating oil additives.%采用简便且可重复性较好的碱熔法制备锐钛矿相TiO2,采用简便的表面修饰技术对其进行表面改性,得到TiO2纳米纤维,并采用XRD、SEM和FT-IR方法对其进行表征.利用四球摩擦试验机考察其作为油品润滑添加剂的摩擦学性能.结果表明,所合成的TiO2纳米纤维为锐钛矿相结构,结晶度和纯度较高,而且在油品中具有良好的分散性;TiO2纳米纤维具有良好的抗磨减摩性能,并能够很好地提高油品承载能力,当其加入量为1.5%(质量分数)时,抗磨减摩以及提高承载能力的效果最好.这些特性使得锐钛矿相TiO2纳米纤维有望在未来成为绿色润滑油添加剂.

  4. Palladium nanoparticles anchored to anatase TiO2 for enhanced surface plasmon resonance-stimulated, visible-light-driven photocatalytic activity

    Directory of Open Access Journals (Sweden)

    Kah Hon Leong

    2015-02-01

    Full Text Available Freely assembled palladium nanoparticles (Pd NPs on titania (TiO2 nano photocatalysts were successfully synthesized through a photodeposition method using natural sunlight. This synthesized heterogeneous photocatalyst (Pd/TiO2 was characterized through field emission scanning electron microscopy (FESEM, high resolution transmission electron microscopy (HRTEM, X-ray diffraction (XRD, BET surface area, UV–vis diffuse reflectance spectra (UV-DRS, Raman and photoluminescence (PL analyses. The simple and smart synthesis anchored well the deposition with controlled Pd NPs size ranging between 17 and 29 nm onto the surface of TiO2. Thus, it gives the characteristic for Pd NPs to absorb light in the visible region obtained through localized surface plasmon resonance (LSPRs. Apparently, the photocatalytic activity of the prepared photocatalysts was evaluated by degrading the endocrine disrupting compound (EDC amoxicillin (AMX excited under an artificial visible light source. In the preliminary run, almost complete degradation (97.5% was achieved in 5 h with 0.5 wt % Pd loading and the degradation followed pseudo-first-order kinetics. The reusability trend proved the photostability of the prepared photocatalysts. Hence, the study provides a new insight about the modification of TiO2 with noble metals in order to enhance the absorption in the visible-light region for superior photocatalytic performance.

  5. Synthesis and chemical modifications of in-situ grown anatase TiO2 microspheres with isotropically exposed {0 0 1} facets for superhydrophobic and self-cleaning properties

    Science.gov (United States)

    Hu, Wanbiao; Yu, Yuanlie; Chen, Hua; Lau, Kenny; Craig, Vincent; Brink, Frank; Withers, Ray L.; Liu, Yun

    2015-12-01

    Excellent and robust hydrophobic materials generally benefit from specifically exposed surfaces i.e. always the low-energy surfaces, and well-defined micro/nano-structures that are achieved through advanced facilities and complicated process with a high cost. We hereof demonstrate that the superhydrophobicity and further self-cleaning properties are also attainable based on high-energy crystalline facets by an appropriate chemical modification. Specifically, anatase TiO2 microspheres were large-scale synthesized to exhibit isotropically exposed high-energy {0 0 1} facets through optimizing the HF/H2O2/H2O ratio during hydrothermal processes. The formation of the microspheres was uncovered to be an in-situ ;growth-cum-assembly; grown mechanism. Such high-energy {0 0 1} facets facilitate the strong coupling between the resultant TiO2 microspheres and the modifier (2,2,3,3,4,4,5,5-octafluoro-1-pentanol) because the {0 0 1} facets offer abundant active sites for chemical bonding, showing great merits for superhydrophobicity (with water contact angle of 154 ± 2°, 6 μl droplets), and further stably surface self-cleaning i.e. easily removing surface contamination (e.g. Al2O3 powders). This integrated strategy represents a milestone in design and fabrication of delicate composites with high-energy surfaces for specific functions and properties.

  6. Synergistic manipulation of micro-nanostructures and composition: anatase/rutile mixed-phase TiO2 hollow micro-nanospheres with hierarchical mesopores for photovoltaic and photocatalytic applications.

    Science.gov (United States)

    Zhu, Qing; Qian, Jieshu; Pan, Hao; Tu, Luo; Zhou, Xingfu

    2011-09-30

    The construction of nanocrystals with controllable composition and desirable micro-nanostructures is a well-known challenge. A combination of favorable composition and optimized micro-nanostructures can enhance the performance of a material significantly. Using TiO(2) as an example, we demonstrate here a facile approach to prepare anatase/rutile mixed-phase TiO(2) hollow micro-nanospheres with hierarchical mesopores. Our strategy relies on polymer-assisted assembly of ∼ 5 nm nano-building blocks into three-dimensional hierarchical hollow micro-nanospheres in a mixed alcohol-water solution. This superior micro-nanostructure endows the sample with hierarchical mesopores and a high surface area of 106 m(2) g(-1). We also show that, due to the synergetic effects of the mixed-phase composition and the micro-nanostructures, the sample exhibited significantly improved photovoltaic performance and similar photocatalytic performance compared with the commercial Degussa P25. These results suggested that our sample has great potential for future photovoltaic and photocatalytic applications.

  7. Growth of nanocrystalline TiO{sub 2} thin films and crystal anisotropy of anatase phase deposited by direct current reactive magnetron sputtering

    Energy Technology Data Exchange (ETDEWEB)

    Sarma, Bimal K., E-mail: sarmabimal@gmail.com [Physical Sciences Division, Institute of Advanced Study in Science and Technology, Paschim Boragaon, Guwahati 781035 (India); Department of Physics, Gauhati University, Gopinath Bordoloi Nagar, Guwahati 781014 (India); Pal, Arup R.; Bailung, Heremba; Chutia, Joyanti [Physical Sciences Division, Institute of Advanced Study in Science and Technology, Paschim Boragaon, Guwahati 781035 (India)

    2013-05-15

    This work describes the growth and elastic anisotropy of nanocrystalline TiO{sub 2} films deposited by direct current reactive magnetron sputtering. The films are nanocrystalline in the gas pressure range 0.4–1.0 Pa even in the absence of substrate bias and substrate heating. It has been observed that gas pressure has a considerable effect on the phase evolution of TiO{sub 2} and at a higher pressure, nanocrystalline anatase can be produced with a greater crystallinity and dense surface. X-ray diffraction line profile analysis of anatase TiO{sub 2} has been performed and the integral breadth expressions of line broadening due to the domain size and lattice microstrain are combined on the basis of the Williamson–Hall (WH) method. The Miller indices dependence of Young's modulus is estimated on the basis of the Reuss approximation for polycrystalline aggregates. Young's modulus shows strong anisotropy. The anisotropic nature of the elastic medium has been introduced in the classical WH plot under the uniform stress deformation model (USDM) and uniform deformation energy density model (UDEDM). USDM represents the better fit of the experimental data. - Highlights: ► Growth of nanocrystalline TiO{sub 2} films prepared by reactive magnetron sputtering. ► Anatase grains grow much faster than rutile grains. ► Near band edge luminescence of TiO{sub 2} due to oxygen vacancies. ► Facile X-ray line profile analysis for nanocrystalline thin films. ► Elastic anisotropy causes X-ray diffraction line broadening of anatase TiO{sub 2}.

  8. Computational Study of the Adsorption of Dimethyl Methylphosphonate (DMMP) on the (010) Surface of Anatase TiO2 With and Without Faceting

    Science.gov (United States)

    2009-12-05

    unfa- ceted surface via a Ti5c---O bond to a methoxy O atom. At the RHF level used in geometry opti- mization the resulting structure was less stable...of the unfa- ceted anatase (010) surfacea atomb this workc ref. 37d ref. 22e Ti5c 0.02; -0.15 0.04; -0.14 0.02; -0.16 O|| 0.02; +0.18 0.04; +0.18

  9. First-principles study of the electronic and optical properties of the (Y, N)-codoped anatase TiO2 photocatalyst

    Institute of Scientific and Technical Information of China (English)

    Lin Yan-Ming; Jiang Zhen-Yi; Hu Xiao-Yun; Zhang Xiao-Dong; Fan Jun; Miao Hui; Shang Yi-Bo

    2012-01-01

    First-principles plane-wave pseudopotential calculations are performed to study the geometrical structures,formation energies,and electronic and optical properties of Y-doped,N-doped,and (Y,N)-codoped TiO2.The calculated results show that Y and N codoping leads to lattice distortion,easier separation of photogenerated electron-hole pairs and band gap narrowing. The optical absorption spectra indicate that an obvious red-shift occurs upon Y and N codoping,which enhances visible-light photocatalytic activity.

  10. Photocatalytic self-cleaning TiO2 coatings on carbonatic stones

    Science.gov (United States)

    Bergamonti, Laura; Bondioli, Federica; Alfieri, Ilaria; Lorenzi, Andrea; Mattarozzi, Monica; Predieri, Giovanni; Lottici, Pier Paolo

    2016-02-01

    A self-cleaning coating based on TiO2 nanoparticles obtained by sol-gel method in an alkaline environment has been tested on different types of carbonatic stones: Botticino, Carrara and Pietra Dorata, frequently used in historic buildings. XRD and Raman measurements confirmed the nanocrystalline nature of titania in anatase form, with 5-10 nm crystal size, and evidenced a small amount of brookite. A fast photocatalytic oxidation by TiO2 coatings of the stained stones with methyl orange and methylene blue under UV lamp irradiation has been assessed. The enhancement of surface wettability due to UV-induced TiO2 hydrophilicity has been evidenced by contact angle measurements. ESEM/EDS showed a surface distribution of the coating fairly homogeneous. The coating does not introduce significant colorimetric changes of the stones and does not alter the water capillarity absorption. Thus, the alkaline nanocrystalline TiO2 is promising for self-cleaning coatings on carbonatic stones.

  11. Size effects in liquid-phase photo-oxidation of phenol using nanometer-sized TiO 2 catalysts

    Science.gov (United States)

    Liu, S.; Jaffrezic, N.; Guillard, C.

    2008-12-01

    Nanocrystalline anatase TiO 2 particles with different particle size were prepared through sol-gel hydrolysis precipitation of titanium isopropoxide, followed by peptization, reflux or hydrothermal treatment, and were characterized by X-ray diffraction (XRD), UV-vis spectroscopy, and nitrogen physi-adsorption methods. The photocatalytic activities of TiO 2 particles were evaluated by the photocatalytic rate of phenol oxidation. The apparent rate constant of phenol conversion with titania without pretreatment by UV-A irradiation was about 40% lower than that with pretreated titania. This result suggests that UV-A pretreatment of TiO 2 samples prepared by the wet methods is necessary before measuring their photocatalytic activity. An optimal particle size (about 10 nm) exists in the TiO 2 for maximum photocatalytic efficiency. The optimum particle size is a result of competing effects of volume recombination, surface recombination, migration of photogenerated electrons and holes, light absorption, defects and surface area. Though the particles were more or less similar in size, the photocatalytic activity of anatase particles prepared by the wet-chemical method is better than that by the dry method, probably the reason is that the amount of surface adsorbed water and hydroxyl groups of TiO 2 particles decreased after calcination.

  12. On the synthesis, characterization and photocatalytic applications of nanostructured TiO2

    Indian Academy of Sciences (India)

    P R Mishra; O N Srivastava

    2008-06-01

    Nanocrystalline semiconducting materials are attracting much attention due to their potential applications in solar energy conversion, nonlinear optics, and heterogeneous photocatalysis. In the present investigation, we have synthesized nanostructured TiO2 photocatalysts, which have been used in the photocatalytic degradation of phenol (one of the most common water pollutants). These catalysts have been prepared through sol–gel technique using titanium tetra-isopropoxide as a raw material for synthesis. Characterization techniques such as XRD, SEM and TEM have been employed for structural/microstructural investigations. XRD results show that the as synthesized TiO2 nanopowder exhibit anatase phase, TiO2. The average sizes of the TiO2 nanopowders are ∼ 5–10 nm. The optical properties of the samples were investigated through UVvisible and fluorescence techniques. It has been observed that absorption edge corresponds to ∼ 410 nm (bandgap, ∼ 3.02 eV). The emission peak in the fluorescence spectrum at ∼ 418 nm corresponds to the bandgap energy of ∼ 2.97 eV. Concentration of phenol (initial concentration, ∼ 100 ppm) with illumination time was monitored by measuring the absorbance of pure and illuminated phenol through UV-visible spectrophotometer. Salient feature of this study relates to the fact that the present sol–gel synthesized TiO2 nanopowders have been found to be better photocatalysts for phenol degradation than the presently employed commercial TiO2 (P-25, Degussa) photocatalyst. Thus, whereas phenol concentration, with the presently synthesized TiO2 nanopowders, the concentration of phenol decreases up to ∼ 32% but for commercial TiO2 nanopowder (P-25, Degussa), it decreased only up to ∼ 25%. The improved surface area is considered as an important factor for the aforesaid decrease in phenol concentration.

  13. One-step synthesis of vertically aligned anatase thornbush-like TiO2 nanowire arrays on transparent conducting oxides for solid-state dye-sensitized solar cells.

    Science.gov (United States)

    Roh, Dong Kyu; Chi, Won Seok; Ahn, Sung Hoon; Jeon, Harim; Kim, Jong Hak

    2013-08-01

    Herein, we report a facile synthesis of high-density anatase-phase vertically aligned thornbush-like TiO2 nanowires (TBWs) on transparent conducting oxide glasses. Morphologically controllable TBW arrays of 9 μm in length are generated through a one-step hydrothermal reaction at 200 °C over 11 h using potassium titanium oxide oxalate dehydrate, diethylene glycol (DEG), and water. The TBWs consist of a large number of nanoplates or nanorods, as confirmed by SEM and TEM imaging. The morphologies of TBWs are controllable by adjusting DEG/water ratios. TBW diameters gradually decrease from 600 (TBW600) to 400 (TBW400) to 200 nm (TBW200) and morphologies change from nanoplates to nanorods with an increase in DEG content. TBWs are utilized as photoanodes for quasi-solid-state dye-sensitized solar cells (qssDSSCs) and solid-state DSSCs (ssDSSCs). The energy-conversion efficiency of qssDSSCs is in the order: TBW200 (5.2%)>TBW400 (4.5%)>TBW600 (3.4%). These results can be attributed to the different surface areas, light-scattering effects, and charge transport rates, as confirmed by dye-loading measurements, reflectance spectroscopy, and incident photon-to-electron conversion efficiency and intensity-modulated photovoltage spectroscopy/intensity-modulated photocurrent spectroscopy analyses. TBW200 is further treated with a graft-copolymer-directed organized mesoporous TiO2 to increase the surface area and interconnectivity of TBWs. As a result, the energy-conversion efficiency of the ssDSSC increases to 6.7% at 100 mW cm(-2) , which is among the highest values for N719-dye-based ssDSSCs. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. A DFT study of the acid-base properties of anatase TiO2 and tetragonal ZrO2 by adsorption of CO and CO2 probe molecules

    Science.gov (United States)

    Chen, Hsin-Yi Tiffany; Tosoni, Sergio; Pacchioni, Gianfranco

    2016-10-01

    We have performed a comparative study of the acid-base characteristics of the surfaces of anatase TiO2 and tetragonal ZrO2. To this end we performed DFT + U calculations on CO and CO2 probe molecules adsorbed both on terraces and steps of the two oxides. For titania, CO adsorption results in a moderate adsorption energy (about - 0.3 eV) and in a positive shift of the Csbnd O stretching frequency (about + 40 cm- 1), typical of Lewis acid sites, with no clear difference in the acidity between terraces or steps. For zirconia we found a similar CO binding energy as for titania, and a CO vibrational shift that depends on the location of the Zr cation: negligible on terraces, similar to TiO2 on steps. We conclude that the acidic properties are similar in the two oxide surfaces. Things are different for CO2 adsorption. On titania the interaction is weak and surface carbonates compete with physisorbed CO2, indicating a weak basic character. On the contrary, on zirconia three types of stable carbonates have been identified. Their vibrational frequencies are consistent with IR measurements reported in the literature. The most stable species forms on steps of the t-ZrO2 surface and consists of a CO32 - unit which lies flat on the surface with the O atoms pointing towards three Zr ions. The species forms spontaneously by extraction of a lattice oxygen by an incoming CO2 molecule. The different reactivity points towards a much more pronounced basic character of zirconia compared to titania, at least if measured by CO2 adsorption.

  15. Controllable preparation of nanosized TiO2 thin film and relationship between structure of film and its photocatalytic activity

    Institute of Scientific and Technical Information of China (English)

    WEI; Gang; (魏刚); ZHANG; Yuanjing; (张元晶); XIONG; Rongchun; (熊蓉春)

    2003-01-01

    TiO2 nano-crystalline film and fixed bed photocatalytic reactor were prepared by the sol-gel process using tetrabutylorthotitanate as a precursor and glass tube as the substrate. XRD, AFM, SEM and thickness analysis results indicate that the preparation of nano-crystalline film can be controlled by optimizing experiment process. Under the optimized process, the phase of TiO2 in film is anatase, and the grain size is 3-4 nm. The size of particles, which is about 20-80 nm, can be controlled. The thickness of monolayer film is in nanometer grade. The thickness and particles size in films growing on nanometer film can also be controlled in nanometer grade. As a result, the crack of film can be effectively avoided. Rhodamine B degradation results using UV-Vis spectrophotometer show that the activity of nano-crystalline film in the photocatalytic reactor has a good relation with the diameter of TiO2 particles, that is, the film shows high activity when the size is 20-30 nm and greatly reduced when the size is above 60 nm. The activity of film does not decrease with the increase of film thickness, and this result indicates that nano-crystalline film has no ill influence on the transmissivity of ultraviolet light.

  16. Mesoporous anatase TiO2 nanorods as thermally robust anode materials for Li-ion batteries: detailed insight into the formation mechanism.

    Science.gov (United States)

    Seisenbaeva, Gulaim A; Nedelec, Jean-Marie; Daniel, Geoffrey; Tiseanu, Carmen; Parvulescu, Vasile; Pol, Vilas G; Abrego, Luis; Kessler, Vadim G

    2013-12-16

    Uniformly mesoporous and thermally robust anatase nanorods were produced with quantitative yield by a simple and efficient one-step approach. The mechanism of this process was revealed by insertion of Eu(3+) cations from the reaction medium as luminescent probes. The obtained structure displays an unusually high porosity, an active surface area of about 300 m(2) g(-1) and a specific capacity of 167 mA h g(-1) at a C/3 rate, making it attractive as an anode electrode for Li-ion batteries. An additional attractive feature is its remarkable thermal stability; heating to 400 °C results in a decrease in the active surface area to a still relatively high value of 110 m(2) g(-1) with conservation of open mesoporosity. Thermal treatment at 800 °C or higher, however, causes transformation into a non-porous rutile monolith, as commonly observed with nanoscale titania.

  17. Pulsed supercritical synthesis of anatase TiO2 nanoparticles in a water-isopropanol mixture studied by in situ powder X-ray diffraction

    Science.gov (United States)

    Eltzholtz, Jakob Rostgaard; Tyrsted, Christoffer; Jensen, Kirsten Marie Ørnsbjerg; Bremholm, Martin; Christensen, Mogens; Becker-Christensen, Jacob; Iversen, Bo Brummerstedt

    2013-02-01

    A new step in supercritical nanoparticle synthesis, the pulsed supercritical synthesis reactor, is investigated in situ using synchrotron powder X-ray diffraction (PXRD) to understand the formation of nanoparticles in real time. This eliminates the common problem of transferring information gained during in situ studies to subsequent laboratory reactor conditions. As a proof of principle, anatase titania nanoparticles were synthesized in a 50/50 mixture of water and isopropanol near and above the critical point of water (P = 250 bar, T = 300, 350, 400, 450, 500 and 550 °C). The evolution of the reaction product was followed by sequentially recording PXRD patterns with a time resolution of less than two seconds. The crystallite size of titania is found to depend on both temperature and residence time, and increasing either parameter leads to larger crystallites. A simple adjustment of either temperature or residence time provides a direct method for gram scale production of anatase nanoparticles of average crystallite sizes between 7 and 35 nm, thus giving the option of synthesizing tailor-made nanoparticles. Modeling of the in situ growth curves using an Avrami growth model gave an activation energy of 66(19) kJ mol-1 for the initial crystallization. The in situ PXRD data also provide direct information about the size dependent macrostrain in the nanoparticles and with decreasing crystallite size the unit cell contracts, especially along the c-direction. This agrees well with previous ex situ results obtained for hydrothermal synthesis of titania nanoparticles.A new step in supercritical nanoparticle synthesis, the pulsed supercritical synthesis reactor, is investigated in situ using synchrotron powder X-ray diffraction (PXRD) to understand the formation of nanoparticles in real time. This eliminates the common problem of transferring information gained during in situ studies to subsequent laboratory reactor conditions. As a proof of principle, anatase titania

  18. Improvement of optical properties of TiO2 thin film treated with electron beam.

    Science.gov (United States)

    Shin, Joong-Hyeok; Lee, Byung Cheol; Woo, Hee-Gweon; Hwang, Kwang Ha; Jun, Jin

    2013-03-01

    Nanocrystalline titanium dioxide (TiO2) thin films on silicon wafer substrates were prepared by sol-gel spin coating process. The prepared thin films were treated with electron beam (1.1 MeV, 300 kGy) at air atmosphere. The effects of electron-beam (EB) irradiation on the structural and optical properties of the TiO2 thin films were investigated. The structures of all the TiO2 thin films by XRD analysis showed an anatase phase, and the phase remained unchanged within the investigating range of EB treatment. The thickness of the titania thin film decreased slightly with EB treatment whereas the porosity increased. The EB treatment of TiO2 thin film can increase the proportion of Ti3+ in Ti2p at the thin film surface. The optical transmittance of the film in the wavelength ranges of above 380 nm increased after the EB treatment while its refractive index decreased with increasing EB dose. Therefore, improvement of the optical properties could be due to the change in both surface chemistry and morphology of the TiO2 thin films affected by EB irradiation.

  19. TiO2 Sub-microsphere Film as Scaffold Layer for Efficient Perovskite Solar Cells.

    Science.gov (United States)

    Huang, Yang; Zhu, Jun; Ding, Yong; Chen, Shuanghong; Zhang, Changneng; Dai, Songyuan

    2016-03-01

    TiO2 sub-microspheres composed of anatase granular-like nanocrystallines with an average diameter ∼250 nm are synthesized using sol-gel method and employed as the scaffold layer for efficient mesocopic perovskite solar cells. Compared with mesoporous TiO2 films composed of ∼18 nm nanoparticles, the sub-microsphere films show superior light-trapping characteristics and significantly improve the light-harvesting capability of the solar cells. In addition, the charge-transport performance is also dramatically improved according to the transient photocurrent decay despite there being no significant difference in the perovskite layer surface morphology. As a result, an average power conversion efficiency of 15% with a highly uniform distribution is achieved for the solar cells with TiO2 sub-microsphere films, 12% higher than those with TiO2 nanoparticle films. The combination of light-harvesting capability and fast charge transfer make the TiO2 sub-microsphere film a good candidate as the scaffold layer for efficient perovskite solar cells.

  20. Low-temperature synthesis and characterization of TiO2 and TiO2-ZrO2 photocatalytically active thin films.

    Science.gov (United States)

    Maver, Ksenija; Stangar, Urska Lavrencic; Cernigoj, Urh; Gross, Silvia; Cerc Korosec, Romana

    2009-05-01

    Transparent TiO(2) and TiO(2)-ZrO(2) (molar ratio Zr/Ti = 0.1) thin films were produced by low-temperature sol-gel processing from nanocrystalline aqueous based solutions. The structural features and compositions of the films treated at room temperature, 100 degrees C and 500 degrees C were investigated by X-ray diffraction, X-ray photoelectron spectroscopy and thermal analysis. Addition of zirconia increased specific surface area (140-230 m(2) g(-1)) and hindered the growth of anatase crystallites, exhibiting a constant size of 6-7 nm in the whole temperature range. These significant changes with respect to pure TiO(2) in anatase crystalline form did not result in significantly and systematically different photocatalytic activity, which was evaluated in terms of aqueous pollutant degradation (azo-dye in water) and self-cleaning ability (fatty contaminant deposit). The films treated at only 100 degrees C showed excellent photocatalytic activity towards azo-dye degradation. Contact angle measurements of aged and contaminated surfaces revealed a fast or sharp hydrophilicity gain under UVA illumination. Accordingly, the results of this study confirmed the potential application of advantageous low-temperature films in water treatment as well as for self-cleaning surfaces.

  1. Exceptional performance of a high voltage spinel LiNi0.5Mn1.5O4 cathode in all one dimensional architectures with an anatase TiO2 anode by electrospinning

    Science.gov (United States)

    Arun, Nagasubramanian; Aravindan, Vanchiappan; Jayaraman, Sundaramurthy; Shubha, Nageswaran; Ling, Wong Chui; Ramakrishna, Seeram; Madhavi, Srinivasan

    2014-07-01

    We report for the first time the synthesis and extraordinary performance of a high voltage spinel LiNi0.5Mn1.5O4 fiber cathode in all one dimensional (1D) architecture. Structural and morphological features are analyzed by various characterization techniques. Li-insertion/extraction properties are evaluated in a half-cell assembly (Li/LiNi0.5Mn1.5O4) and subsequently in full-cell configuration with an anatase TiO2 fiber anode. In both half- and full-cell assemblies, gelled polyvinylidene fluoride-co-hexafluoropropylene (PVdF-HFP) is used as the separator-cum-electrolyte. All the one dimensional components used for fabricating Li-ion cells are prepared by a simple and scalable electrospinning technique. The full-cell, LiNi0.5Mn1.5O4/gelled PVdF-HFP/TiO2 delivered the reversible capacity of ~102 mA h g-1 at 0.1 C rate with an operating potential of ~2.8 V. Excellent rate capability and stable cycling profiles are noted for such a full-cell assembly with a capacity retention of ~86% after 400 cycles.

  2. Study of Photocatalytic Activity and Properties of Transition Metal Ions Doped Nanocrystalline TiO2 Prepared by Sol-Gel Method

    Directory of Open Access Journals (Sweden)

    K. S. Siddhapara

    2014-01-01

    Full Text Available Transition metal (Mn, Fe, Co, doped TiO2 nanoparticles were synthesized by the sol-gel method. All the prepared samples were calcined at different temperatures like 200°C to 800°C and characterized by X-ray diffraction (XRD and energy dispersive X-ray (EDX analysis. The studies revealed that transition metal (TM doped nanoparticles have smaller crystalline size and higher surface area than pure TiO2. Dopant ions in the TiO2 structure caused significant absorption shift into the visible region. The results of photodegradation of formaldehyde in aqueous medium under UV light showed that photocatalytic activity of TiO2 nanoparticles was significantly enhanced by the presence of some transition metal ions. Chemical oxygen demand (COD of formaldehyde solutions done at regular intervals gave a good idea about mineralization of formaldehyde.

  3. Photocatalytic degradation of carbamazepine in wastewater by using a new class of whey-stabilized nanocrystalline TiO2 and ZnO.

    Science.gov (United States)

    Mohapatra, D P; Brar, S K; Daghrir, R; Tyagi, R D; Picard, P; Surampalli, R Y; Drogui, P

    2014-07-01

    Nanoscale photocatalysts have attracted much attention due to their high surface area to volume ratios. However, due to extremely high reactivity, TiO2 and ZnO nanoparticles prepared using different methods tend to either react with surrounding media or agglomerate, resulting in the formation of much larger flocs and significant loss in reactivity. This work investigates the photocatalytic degradation of carbamazepine (CBZ), a persistent pharmaceutical compound from wastewater (WW) using TiO2 and ZnO nanoparticles prepared in the presence of a water-soluble whey powder as stabilizer. The TiO2 and ZnO nanoparticles prepared in the presence of whey stabilizer displayed much less agglomeration and greater degradation power than those prepared without a stabilizer. Higher photocatalytic degradation of carbamazepine was observed (100%) by using whey stabilized TiO2 nanoparticles with 55 min irradiation time as compared to ZnO nanoparticles (92%). The higher degradation of CBZ in wastewater by using TiO2 nanoparticles as compared to ZnO nanoparticles was due to formation of higher photo-generated holes with high oxidizing power of TiO2. The photocatalytic capacity of ZnO anticipated as similar to that of TiO2 as it has the same band gap energy (3.2 eV) as TiO2. However, in the case of ZnO, photocorrosion frequently occurs with the illumination of UV light and this phenomenon is considered as one of the main reasons for the decrease of ZnO photocatalytic activity in aqueous solutions. Further, the estrogenic activity of photocatalyzed WW sample with CBZ and its by-products was carried out by yeast estrogen screen (YES) assay method. Based upon the YES test results, none of the samples showed estrogenic activity.

  4. Green Strategy to Single Crystalline Anatase TiO 2 Nanosheets with Dominant (001) Facets and Its Lithiation Study toward Sustainable Cobalt-Free Lithium Ion Full Battery

    KAUST Repository

    Ming, Hai

    2015-11-03

    A green hydrothermal strategy starting from the Ti powders was developed to synthesis a new kind of well dispersed anatase TiO nanosheets (TNSTs) with dominant (001) facets, successfully avoiding using the HF by choosing the safe substitutes of LiF powder. In contrast to traditional approaches targeting TiO with dominant crystal facets, the strategy presented herein is more convenient, environment friendly and available for industrial production. As a unique structured anode applied in lithium ion battery, the TNSTs could exhibit an extremely high capacity around 215 mAh g at the current density of 100 mA g and preserved capacity over 140 mAh g enduring 200 cycles at 400 mA g. As a further step toward commercialization, a model of lithiating TiO was built for the first time and analyzed by the electrochemical characterizations, and full batteries employing lithiated TNSTs as carbon-free anode versus spinel LiNiMnO (x = 0, 0.5) cathode were configured. The full batteries of TNSTs/LiMnO and TNSTs/LiNiMnO have the sustainable advantage of cost-effective and cobalt-free characteristics, and particularly they demonstrated high energy densities of 497 and 580 Wh kg (i.e., 276 and 341 Wh kg ) with stable capacity retentions of 95% and 99% respectively over 100 cycles. Besides the intriguing performance in batteries, the versatile synthetic strategy and unique characteristics of TNSTs may promise other attracting applications in the fields of photoreaction, electro-catalyst, electrochemistry, interfacial adsorption photovoltaic devices etc.

  5. End-group functionalization of poly(3-hexylthiophene) as an efficient route to photosensitize nanocrystalline TiO2 films for photovoltaic applications.

    Science.gov (United States)

    Krüger, Robin A; Gordon, Terry J; Baumgartner, Thomas; Sutherland, Todd C

    2011-06-01

    Bulk heterojunction (BHJ) and dye-sensitized solar cells (DSSCs) have seen increased popularity over recent years and each technology has experienced tremendous improvements in power conversion efficiencies (PCEs), reaching 8 and 12%, respectively. The two technologies have been on independent improvement pathways, and this work establishes a link between them by using the archetypical hole conductor (poly-3-hexylthiophene, P3HT) in BHJs as a sensitizer on TiO(2) for DSSC applications. Three polymers were synthesized and examined as potential TiO(2) sensitizers in DSSCs under AM1.5 solar radiation. Using Grignard metathesis, regioregular P3HT was synthesized then functionalized with either one or two cyanoacrylic acid linker moieties to bind to the TiO(2) surface. End-group modification resulted in minimal changes to the optical and electronic properties as compared to pristine P3HT. Cyclic voltammetry (CV) experiments at anodic potentials of adsorbed sensitizer quantified the amount of alkylthiophene adsorbed on the TiO(2), whereas under reductive sweeps, cyanoacrylic acid end-group binding was determined. CVs of each polymer indicated that loading was drastically different as compared to pristine P3HT with the lowest loading on TiO(2) and monofunctionalized P3HT exhibited the highest loading. The DSSCs showed power conversion efficiencies (PCEs) of 0.1%, 0.2 and 2.2% for the polymer-sensitized TiO(2) of the unfunctionalized, monofunctionalized and difunctionalized polymers, respectively. DSSCs were then subjected to electrochemical impedance spectroscopy (EIS) in the dark and under monochromatic light radiation. The large variance in performance for the functionalized-P3HT sensitizers is attributed to differences in the adsorption modes of sensitizer on the TiO(2) surface, which in the difunctionalized case limits electrolyte recombination and favors forward charge transfer reactions.

  6. Study on the Phase Transformation Behavior of Nanosized Amorphous TiO2

    Institute of Scientific and Technical Information of China (English)

    Huaqing XIE; Tonggeng XI; Qinghong ZHANG; Qingren WU

    2003-01-01

    Nanosized amorphous TiO2 powders with a specific surface area of 501 m2.g-1 were prepared by hydrolysis. Aftercalcined at 400℃ for 2 h, the prepared amorphous TiO2 powders were fully transformed into anatase crystallitesthe samples of nanosized amorphous TiO2 mixed with microsized anatase, nanosized anatase, or nanosized α-Al2O3respectively. Effects of sample packing, anatase addition, or α-Al2O3 addition on the crystallization behavior ofnanosized amorphous TiO2 were analyzed.

  7. Modification of N-doped TiO2 photocatalysts using noble metals (Pt, Pd) - a combined XPS and DFT study.

    Science.gov (United States)

    Batalović, K; Bundaleski, N; Radaković, J; Abazović, N; Mitrić, M; Silva, R A; Savić, M; Belošević-Čavor, J; Rakočević, Z; Rangel, C M

    2017-03-08

    Nitrogen-doped TiO2 (N-TiO2) is considered as one of the most promising materials for various photocatalytic applications, while noble metals Pd and Pt are known as good catalysts for hydrogen evolution. This work focuses on the determination of structural and electronic modifications of N-TiO2, achieved by noble metal deposition at the surface, as a starting indicator for potential applications. We focus on the properties of easily synthesized nanocrystalline nitrogen-doped anatase TiO2, modified by depositing small amounts of Pd (0.05 wt%) and Pt (0.10 wt%), aiming to demonstrate efficient enhancement of optical properties. The chemical states of dopants are studied in detail, using X-ray photoemission spectroscopy, to address the potential of N-TiO2 to act as a support for metallic nanoparticles. DFT calculations are used to resolve substitutional from interstitial nitrogen doping of anatase TiO2, as well as to study the combined effect of nitrogen doping and oxygen vacancy formation. Based on the binding energies calculated using Slater's transition state theory, dominant contribution to the N 1s binding energy at 399.8 eV is ascribed to interstitially doped nitrogen in anatase TiO2. Given that both structure and photocatalytic properties depend greatly on the synthesis procedure, this work contributes further to establishing correlation between the structure and optical properties of the noble metal modified N-TiO2 system.

  8. Visible active nanocrystalline N-doped anatase TiO{sub 2} particles for photocatalytic mineralization studies

    Energy Technology Data Exchange (ETDEWEB)

    Barkul, R.P. [Department of Chemistry, Dr. Babasaheb Ambedkar Marathwada University, Aurangabad, Sub–campus Osmanabad, 413 501, MS (India); Koli, V.B.; Shewale, V.B. [Department of Chemistry, Shivaji University, Kolhapur, 416 004, MS (India); Patil, M.K. [Department of Chemistry, Dr. Babasaheb Ambedkar Marathwada University, Aurangabad, Sub–campus Osmanabad, 413 501, MS (India); Delekar, S.D., E-mail: sddelekar7@rediffmail.com [Department of Chemistry, Dr. Babasaheb Ambedkar Marathwada University, Aurangabad, Sub–campus Osmanabad, 413 501, MS (India); Department of Chemistry, Shivaji University, Kolhapur, 416 004, MS (India); Department of Chemistry and Biochemistry, Florida State University, Tallahassee, 30306-4390, FL (United States)

    2016-04-15

    Nitrogen-doped TiO{sub 2} nanoparticles (N–TiO{sub 2} NPs) with anatase phase were synthesized by sol–gel method using a single precursor containing titanium (IV) terbutoxide, glacial acetic acid, sodium dodecyl sulphate, ammonia, and urea. X-ray diffraction (XRD) reveals the nanocrystalline nature with anatase phase of all the samples. The particle size of all samples was found in the range of 5–12 nm using transmission electron microscopy (TEM). UV–visible absorption measurements examined that the optical band gap of the doped samples decrease with increase in dopant concentration from 0.0 to 7.0 mol%. Field-emission scanning electron microscopy (FESEM) with energy dispersive atomic X-ray (EDAX) spectroscopy was employed to analyse the morphology and chemical composition of these N–TiO{sub 2} NPs. The photocatalytic activity of bare/doped TiO{sub 2} samples was demonstrated for the degradation of Rhodamine B (RhB) dye under direct sunlight irradiation. The photocatalytic degradation was monitored by measuring the kinetic parameters based on UV–visible spectroscopy as well as the chemical oxygen demand (COD) during the course of the reaction. The effect of dye concentration and pH of the solution on the photocatalytic degradation reaction in the presence of colloidal bare/doped TiO{sub 2} were also studied. The N–TiO{sub 2} catalyst, with a nitrogen concentration of 7.0 mol%, showed the highest activity for photocatalytic mineralization of dye at acidic or alkaline medium than neutral condition under solar light irradiation directly. - Highlights: • Nitrogen doped TiO{sub 2} nanoparticles where synthesized by using simple sol–gel method at room temperature. • N–TiO{sub 2} nanoparticles shows red shift. • Hydroxylation on the surface of TiO{sub 2} increase with increasing nitrogen concentration. • In presence of sunlight N–TiO{sub 2} shows enhancement in degradation of RhB dye.

  9. 锐钛矿型TiO2薄膜的低温制备及其光催化性能研究%Low-temperature preparation and photocatalytic performance of anatase TiO2 thin films

    Institute of Scientific and Technical Information of China (English)

    李勇; 艾凡荣; 闫洪

    2012-01-01

    Nano-TiO2 thin films were prepared at low temperature by an improved sol-gel method and dip-coating technique. The phase and crystal structure, surface morphology and optical absorption properties of the prepared TiO2 films were characterized by X-ray diffractometer (XRD), Fourier transform infrared spectrometer (FTIR), scanning electron microscope (SEM) and ultraviolet-visible spectrometer (UV-Vis), respectively. The photocatalytic activity of the TiO2 films was evaluated through degrading the methylene blue solution under UV radiation. The results show that the Nano-TiO2 thin films prepared at low temperature possess an anatase structure and a uniform dense surface, and show a strong UV absorption. With the Nano-TiO2 films as the photocatalyst, 67.4% of the methylene blue solution is degraded after exposure to UV radiation for 48 h.%采用改进的sol-gel法及浸渍-提拉工艺在低温条件下制备了纳米TiO2薄膜.利用X射线衍射仪(XRD)、傅里叶变换红外光谱仪( FTIR)、扫描电镜(SEM)及紫外-可见光光谱仪(UV-Vis)对所制TiO2薄膜的物相结构、表面形貌以及光吸收特性进行了表征,并利用紫外光照降解亚甲基蓝溶液的方法考察了TiO2薄膜的光催化活性.结果表明:低温制备的纳米TiO2薄膜为锐钛矿结构,表面均匀致密,且对紫外光表现出较强的吸收特性.在紫外光照射48 h后,该TiO2薄膜对亚甲基蓝溶液的降解率为67.4%.

  10. Preparation of nanocrystalline composite TiO2-SnO2 powders using sol-gel method combined with hydrothermal treatment

    Directory of Open Access Journals (Sweden)

    Anna Marzec

    2016-12-01

    Full Text Available The paper describes the process of TiO2-SnO2 nanocomposites manufacturing utilizing two-step sol-gel method combined with calcination (in the case of titanium hydroxide gel or hydrothermal treatment (in the case of tin hydroxide. Phase composition of the obtained nanopowders and average crystallite sizes were determined using XRD analysis. Measurements of the specific surface area were performed using sorption method based on determination of physical adsorption isotherm (BET. Morphology of the nanopowders was observed using transmission electron microscope. The presented synthesis method enables to obtain composites nanopowders from TiO2-SnO2 system with known and controlled chemical and phase compositions, and distinctly diversified TiO2 and SnO2 particle sizes.

  11. PHOTOCATALYTIC DEGRADATION OF RHODAMINE B ON ANATASE TiO2 WITH {001 } FACETS%{001}面TiO2光催化降解罗丹明B的研究

    Institute of Scientific and Technical Information of China (English)

    冯氏云; 全凤; 胡芸; 韦朝海

    2013-01-01

    A series of anatase TiO2 nanosheets with exposed {001 } facets were synthesized by a hydrothermal method using tetrabutyl titanate as a titanium source and HF solution as the solvent.The photocatalytic activities of the samples were evaluated by rhodamine B degradation.The influences of different reaction temperature、pH and catalyst dosage on the photocatalytic activity were investigated.TiO2 with exposed {001 } facets had good anatase crystal structure and showed strong adsorption for UV light.When the reaction temperature was 180 ℃,the pH of solution was 2,and the catalyst dosage was 1 g/T,the sample showed the highest photocatalytic activity for the degradation of rhodamine B,which could reach 100% under UV irradiation for 20 min.%以钛酸四丁酯为钛源、HF为形貌控制剂,采用水热法在不同反应温度条件下制备纳米片状{001}面TiO2,并以罗丹明B的光催化降解为模型反应,考察了不同反应温度对{001}面TiO2形貌结构的影响,研究了反应温度、pH及催化剂投加量对光催化活性的影响.结果表明,所有{001}面TiO2均具有良好的锐钛矿相衍射峰,并且在紫外光区域具有明显的光吸收;当反应温度为180℃、溶液pH为2、投加量为1g/L时,样品对罗丹明B光催化降解活性最高,紫外光照射20 min后罗丹明B降解率可达100%.

  12. Preparation of Fluorine-Doped TiO2 Photocatalysts with Controlled Crystalline Structure

    Directory of Open Access Journals (Sweden)

    N. Todorova

    2008-01-01

    Full Text Available Nanocrystalline F-doped TiO2 powders were prepared by sol-gel route. The thermal behavior of the powders was recorded by DTA/TG technique. The crystalline phase of the fluorinated TiO2 powders was determined by X-ray diffraction technique. It was demonstrated that F-doping using CF3COOH favors the formation of rutile along with anatase phase even at low temperature. Moreover, the rutile's phase content increases with the increase of the quantity of the fluorine precursor in the starting solution. The surface area of the powders and the pore size distribution were studied by N2 adsorption-desorption using BET and BJH methods. X-ray photoelectron spectroscopy (XPS revealed that the fluorine is presented in the TiO2 powders mainly as metal fluoride in quantities ∼16 at %. The F-doped TiO2 showed a red-shift absorption in UV-vis region which was attributed to the increased content of rutile phase in the powders. The powders exhibited enhanced photocatalytic activity in decomposition of acetone.

  13. Facile decoration of TiO2 nanoparticles on graphene for solar degradation of organic dye

    Science.gov (United States)

    Salem, Shiva; Salem, Amin; Rezaei, Mostafa

    2016-11-01

    The reduced graphene oxide is interesting material for the synthesis of TiO2-based photocatalyst. In the present investigation, blackberry fruit, which contains high levels of anthocyanins and other phenolic compounds, was employed as a reducing agent mainly due to its high antioxidant capacity. The nano-crystalline TiO2 was decorated on different amounts of graphene oxide with sol-gel method and then the photocatalytic activity for degradation of cationic dye was evaluated by UV spectroscopy to achieve the optimum content of graphene oxide. The decoration of anatase nanoparticles on prepared reduced graphene oxide was investigated by X-ray diffraction, scanning and transmission electron microscopy techniques. The new composite gives significantly higher activity when is compared to the compositions fabricated by graphene oxide. The compact layer provides a large TiO2-graphene contact area and reduces the electron recombination. The decoration of TiO2 nanoparticles, 5-10 nm, on the graphene oxide reduced by blackberry juice further improves the dye removal. The results imply that the nanoparticle decoration is the key strategy to increase the degradation capacity.

  14. 3-D solar cells by electrochemical-deposited Se layer as extremely-thin absorber and hole conducting layer on nanocrystalline TiO2 electrode

    Science.gov (United States)

    Nguyen, Duy-Cuong; Tanaka, Souichirou; Nishino, Hitoshi; Manabe, Kyohei; Ito, Seigo

    2013-01-01

    A three-dimensional selenium solar cell with the structure of Au/Se/porous TiO2/compact TiO2/fluorine-doped tin oxide-coated glass plates was fabricated by an electrochemical deposition method of selenium, which can work for the extremely thin light absorber and the hole-conducting layer. The effect of experimental conditions, such as HCl and H2SeO3 in an electrochemical solution and TiO2 particle size of porous layers, was optimized. This kind of solar cell did not use any buffer layer between an n-type electrode (porous TiO2) and a p-type absorber layer (selenium). The crystallinity of the selenium after annealing at 200°C for 3 min in the air was significantly improved. The cells with a selenium layer deposited at concentrations of HCl = 11.5 mM and H2SeO3 = 20 mM showed the best performance, resulting in 1- to 2-nm thickness of the Se layer, short-circuit photocurrent density of 8.7 mA/cm2, open-circuit voltage of 0.65 V, fill factor of 0.53, and conversion efficiency of 3.0%.

  15. Synthesis of nanocrystalline TiO2 thin films by liquid phase deposition technique and its application for photocatalytic degradation studies

    Indian Academy of Sciences (India)

    Noor Shahina Begum; H M Farveez Ahmed

    2008-02-01

    A transparent, high purity titanium dioxide thin film composed of densely packed nanometer sized grains has been successfully deposited on a glass substrate at 30°C from an aqueous solution of TiO2–HF with the addition of boric acid as a scavenger by liquid phase deposition technique. From X-ray diffraction measurement, the deposited film was found to be amorphous and turns crystalline at 500°C. The deposited film showed excellent adherence to the substrate and was characterized by homogeneous flat surface. TiO2 thin films can be used as a photocatalyst to clean up organohalides, a class of compound in pesticides that pollute the ground water. Photocatalytic degradation experiments show that indanthrene golden orange dye undergoes degradation efficiently in presence of TiO2 thin films by exposing its aqueous solution to ultraviolet light. The suitable surface structure and porosity increases the photocatalytic activity. It was also observed that hemin doped TiO2 thin films break up organohalides at a surprisingly high rate under visible light.

  16. Influence of Nd-Doping on Photocatalytic Properties of TiO2 Nanoparticles and Thin Film Coatings

    Directory of Open Access Journals (Sweden)

    Damian Wojcieszak

    2014-01-01

    Full Text Available Structural, optical, and photocatalytic properties of TiO2 and TiO2:Nd nanopowders and thin films composed of those materials have been compared. Titania nanoparticles with 1, 3, and 6 at. % of Nd-dopant were synthesized by sol-gel method. Additionally, thin films with the same material composition were prepared with the aid of spin-coating method. The analysis of structural investigations revealed that all as-prepared nanopowders were nanocrystalline and had TiO2-anatase structure. The average size of crystallites was ca. 4-5 nm and the correlation between the amount of neodymium and the size of TiO2 crystallites was observed. It was shown that the dopant content influenced the agglomeration of the nanoparticles. The results of photocatalytic decomposition of MO showed that doping with Nd (especially in the amount of 3 at. % increased self-cleaning activity of the prepared titania nanopowder. Similar effect was received in case of the thin films, but the decomposition rate was lower due to their smaller active surface area. However, the as-prepared TiO2:Nd photocatalyst in the form of thin films or nanopowders seems to be a very attractive material for various applications.

  17. Self-cleaning properties of TiO2/palygorskite and TiO2/halloysite nanocomposite coatings

    Science.gov (United States)

    Panagiotaras, Dionisios; Kaplani, Eleni; Stathatos, Elias; Papoulis, Dimitrios

    2014-10-01

    Tubular halloysite and microfibrous palygorskite clay mineral combined with nanocrystalline TiO2 are involved in the preparation of nanocomposite films on glass substrates via sol-gel route at 450°C. The synthesis employing nonionic surfactant molecule as pore directing agent along with the acetic acid-based sol-gel route without addition of water molecules. Drying and thermal treatment of composite films ensure elimination of organic material lead to the formation of TiO2 nanoparticles homogeneously distributed on the palygorskite and halloysite surfaces. Nanocomposite films without cracks of active anatase crystal phase on palygorskite and halloysite surfaces are characterized by microscopy techniques, UV-Vis spectroscopy, and porosimetry methods in order to examine their structural properties. The composite palygorskite-TiO2 and halloysite/TiO2 films with variable quantities of palygorskite and halloysite were tested as photocatalysts in the photo-oxidation of Basic Blue 41 azo dye in water. These nanocomposite films proved to be most promising photocatalysts and highly effective to dye's decoloration in spite of small amount of palygorskite/TiO2 or halloysite/TiO2 catalyst immobilized onto glass substrates.

  18. Polypyridyl Ruthenium(Ⅱ) Sensitizers for Nanocrystalline TiO2-based Solar Cells%太阳能电池用多联吡啶钌光敏剂

    Institute of Scientific and Technical Information of China (English)

    徐勇前; 孙世国; 彭孝军

    2006-01-01

      简要介绍了多联吡啶钌分子修饰原理,详细介绍了其中的多元染料、两亲染料以及高摩尔消光系数染料的研究现状,评述了多联吡啶钌光敏剂在染料敏化纳米晶太阳能电池中应用的研究进展。%  In this paper polypyridyl ruthenium(Ⅱ) complexes are reviewed, which are sensitizers for dye-sensitized solar cells. The molecular design principle of this kind of sensitizers is introduced briefly. Among these sensitizers, supramolecular sensitizers, amphiphilic ruthenium sensitizers and high molar extinction coefficient sensitizers are discussed in detail in the field of their applications in nanocrystalline TiO2-based solar cells.

  19. Obtenção de filmes finos de TiO2 nanoestruturado pelo método dos precursores poliméricos Nanostructured TiO2 thin films by polymeric precursor method

    Directory of Open Access Journals (Sweden)

    Daniel Grando Stroppa

    2008-01-01

    Full Text Available This work focuses in optimizing setup for obtaining TiO2 thin films by polymeric precursor route due to its advantages on stoichiometric and morphological control. Precursor stoichiometry, synthesis pH, solids concentration and rotation speed at deposition were optimized evaluating thin films morphology and thickness. Thermogravimetry and RMN were applied for precursor's characterization and AFM, XRD and ellipsometry for thin films evaluation. Results showed successful attainment of homogeneous nanocrystalline anatase TiO2 thin films with outstanding control over morphological characteristics, mean grain size of 17 nm, packing densities between 57 and 75%, estimated surface areas of 90 m²/g and monolayers thickness within 20 and 128 nm.

  20. Determination of the light-induced degradation rate of the solar cell sensitizer N719 on TiO2 nanocrystalline particles

    DEFF Research Database (Denmark)

    Nour-Mohammadi, Farahnaz; Doan Nguyen, Sau; Boschloo, Gerrit

    2005-01-01

    The oxidative degradation rate, kdeg of the solar cell dye (Bu4N+)2 [Ru(dcbpyH)2(NCS)2]2–, referred to as N719 or [RuL2(NCS)2], was obtained by applying a simple model system. Colloidal solutions of N719-dyed TiO2 particles in acetonitrile were irradiated with 532-nm monochromatic light...... range. By using the relation kdeg = deg × kback and back electron transfer reaction rates, kback, obtained using photoinduced absorption spectroscopy, it was possible to calculate an average value for the oxidative degradation rate of N719 dye attached to TiO2 particles, kdeg = 4 × 10–2 s–1...

  1. Optical and structural properties of nanocrystalline anatase (TiO{sub 2}) thin films prepared by non-aqueous sol-gel dip-coating

    Energy Technology Data Exchange (ETDEWEB)

    Haimi, E., E-mail: eero.haimi@tkk.fi [Department of Materials Science and Engineering, Aalto University, P.O. Box 16200, FI-00076 Aalto (Finland); Lipsonen, H.; Larismaa, J. [Department of Materials Science and Engineering, Aalto University, P.O. Box 16200, FI-00076 Aalto (Finland); Kapulainen, M. [VTT, Technical Research Centre of Finland, Tietotie 3, Espoo P.O. Box 1000, FI-02044 VTT (Finland); Krzak-Ros, J. [Institute of Materials Science and Applied Mechanics, Wroclaw University of Technology, PL-50371, Wroclaw (Poland); Hannula, S.-P. [Department of Materials Science and Engineering, Aalto University, P.O. Box 16200, FI-00076 Aalto (Finland)

    2011-07-01

    Anatase (TiO{sub 2}) thin films were grown by non-aqueous sol-gel dip-coating using titanium (IV) n-butoxide as precursor and 1-butanol as solvent. High withdrawal speed of 4.7 mm/s in dip-coating resulted in defect free films of 100 nm average film thickness after subsequent heat treatments. According to scanning electron microscope and X-ray diffraction measurements, the films consisted of nanocrystalline anatase with 30 nm mean crystallite size. Refractive index n({lambda}) and extinction coefficient k({lambda}) were determined over the wavelength range from 200 to 1650 nm. The optical band gap of the film material was approximately 3.2 eV. The results showed very similar optical characteristics to those that are accomplished with chemically more reactive aqueous sol-gel processes. Furthermore, it was found that in addition to porosity, coordination number of Ti atoms to nearest oxygen neighbors is likely to have a significant role in explaining differences of optical properties between bulk anatase and thin film materials of the present work.

  2. Photochemistry on TiO2: Mechanisms Behind the Surface Chemistry

    Science.gov (United States)

    2009-01-21

    ation in air causes water droplets to wet the TiO2 film surface, resulting in a lowering of the contact angle over time. The anatase TiO2 film was...have shown that under these conditions, the contact angle decreases slowly during interrupted irradiation periods, as shown in Fig. 9. Both anatase

  3. Alternative structure of TiO2 with higher energy valence band edge

    Science.gov (United States)

    Coh, Sinisa; Yu, Peter Y.; Aoki, Yuta; Saito, Susumu; Louie, Steven G.; Cohen, Marvin L.

    2017-02-01

    We propose an alternative structure of TiO2 anatase that has a higher energy oxygen p -like valence band maximum than pristine TiO2 anatase and thus has a much better alignment with the water splitting levels. This alternative structure is unique when considering a large subspace of possible structural distortions of TiO2 anatase. We propose two routes towards this state and argue that one of them might have been realized in the recently discovered so-called black TiO2.

  4. Photocatalytic Property of TiO2 Films Deposited by Pulsed DC Magnetron Sputtering

    Institute of Scientific and Technical Information of China (English)

    Wenjie ZHANG; Shenglong ZHU; Ying LI; Fuhui WANG

    2004-01-01

    TiO2 thin films were prepared by DC magnetron sputtering with the oxygen flow rate higher than the threshold. The film deposited for 5 h was of anatase phase with a preferred orientation along the direction, but the films deposited for 2 and 3 h were amorphous. The transmittance and photocatalytic activity of the TiO2 films increased constantly with increasing film thickness. When the annealing temperature was lower than 700℃, only anatase grew in the TiO2 film. TiO2 phase changed from anatase to rutile when the annealing temperature was above 800℃. The photocatalytic activity decreased with increasing annealing temperature.

  5. Correlation of the heterogeneous discoloration efficiency of aqueous Rhodamine-B solutions and charge separation enhancement of mixed-phase nanocrystalline titania

    Science.gov (United States)

    Zhang, Dongfang

    2012-05-01

    Heterogeneous photocatalytic removal of Rhodamine-B (RhB) dye from liquid phase was done using mixed-phase nanocrystalline TiO2 for enhancement of charge separation and UV-visible-light-driven photocatalysis capabilities. The mixed-phase nanocrystalline TiO2 was characterized using various analytical techniques including XRD, TEM, UV-vis DRS and PL to investigate its phase composition and structure, nanocrystalline size distribution, band gap energy, and photoluminescence properties. The photocatalytic discoloration efficiency of mixed-phase nanocrystalline titania was explored by monitoring the decomposition of RhB dye in an aqueous solution. The results showed that the as-prepared mixed-phase nanocrystalline TiO2 was excellent for degradation of RhB molecule, and the combination of crystal phase of anatase and rutile has great effect on decomposition of RhB. The kinetic studies demonstrate that the photocatalytic oxidation reaction followed a pseudo-first-order expression due to the evidence of linear correlation between ln( c/c 0) vs. reaction time t. Moreover, the aqueous RhB dye decomposition over the as-prepared mixed-phase nanocrystalline TiO2 catalyst is controlled by RhB pre-adsorption.

  6. High Efficiency Dye-Sensitized Solar Cells Based on the Anatase TiO2 Sols%基于锐钛矿相二氧化钛溶胶的高效染料敏化太阳能电池

    Institute of Scientific and Technical Information of China (English)

    郝艳明; 石国英; 钱迪峰; 张青红

    2011-01-01

    用稀硝酸或双氧水对TiO2沉淀进行处理,分别得到锐钛矿相TiO2溶胶及过氧钛酸溶液,两者经水热处理后通过“定向附着”得到比表面积均大于100m2/g的TiO2纳米棒溶胶,制成染料敏化太阳能电池后,电池的开路电压得到提高.溶胶在导电玻璃上形成致密阻挡层,也能渗入到Degussa P25为原料经刮涂法制备的光阳极内,消除其中的大孔与缺陷.溶胶修饰的电极经过烧结、组装电池后,AM1.5模拟太阳光照下电池的光电转化效率由4.15%提高到5.63%.%TiO2 precipitates were treated with dilute HNO3 solution or H2O2 solution, anatase TiO2 sols and peroxotitanium acid (PTA) solution were obtained, respectively. Both anatase TiO2 sols and PTA solution were subjected to further hydrothermal treatment, and TiO2 nanorod sols with a specific surface area of more than 100m2/g were formed via the oriented attachment mechanism. The anatase nanorods were used to fabricate dye-sensitized solar cells (DSSCs), and cells with a higher open-circuit voltage were observed. The anatase nanorod sols were also used to make compact layers over FTO conductive glass, and infiltrated into porous TiO2 layers using Degussa P25 titania as raw material by doctor-blade technique to elimination large pores and defects in DSSCs anodes. The sols treated anodes were sintered and assembled into DSSCs, and the photoelectric conversion efficiency of resulted DSSCs increased from 4.15% to 5.63% under AM1.5 simulated solar irradiation.

  7. Structural Characteristics of TiO2 Ceramic Coating by Micro-Plasma Oxidation

    Institute of Scientific and Technical Information of China (English)

    GAO Yu-zhou; ZHANG Hui-chen; WANG Liang; YAN Li

    2004-01-01

    TiO2 ceramic coatings with thickness of 20 μm were formed on the surface of pure titanium by micro-plasma oxidation. Their micro-structures were investigated by by using X-ray diffraction and their surface images were detected by using scan electronic microscope. There were three kinds of TiO2 coatings, pure anatase type TiO2 phase, mixed phases consisted of rutile type TiO2 phase and anatase type TiO2 phase, pure rutile type TiO2 phase. The coating surface with the pure anatase type TiO2 phase is rough, while the coating surface with the pure rutile type TiO2phase is smooth. The upper coating surface with the mixed type TiO2 phases is anatase type TiO2 structure and the subsurface of the TiO2 coating is rutile type TiO2structure.

  8. Synthesis, characterization and photocatalytic applications of Zn-doped TiO2 nanoparticles by sol-gel method

    Science.gov (United States)

    Aware, Dinkar V.; Jadhav, Shridhar S.

    2016-10-01

    Mesoporous, nanocrystalline, Zinc-doped TiO2 nanoparticles were synthesized by surfactant-assisted sol-gel method. The X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), Brunauer-Emmett-Teller (BET), and UV-VIS spectrometer techniques were used to characterize the synthesized products. XRD results confirm the formation of the anatase phase for the TiO2 nanoparticles, with crystallite sizes in the range of 12.6-18.1 nm. The small crystallite size and doping with Zinc ion inhibit phase transformation and promote the growth of the TiO2 anatase phase. The SEM and TEM micrographs revealed the spherical-like morphology with average diameter of about 12-18 nm which is in agreement with XRD results. The optical study shows that doping ions lead to an increase in the absorption edge wavelength and a decrease in the band gap energy of titania. Photocatalytic activity of the synthesized nanomaterials was successfully tested for photodegradation of methyl red as model pollutant under UV light. The photocatalytic activity results confirm that the doped nanoparticles show higher activity than undoped titania. The small grain size, high crystallinity, high specific surface area and decrease in the band gap energy of doped titania may be responsible for the high photocatalytic activity.

  9. Synthesis, characterization and photocatalytic applications of Zn-doped TiO2 nanoparticles by sol–gel method

    Directory of Open Access Journals (Sweden)

    Dinkar V. Aware

    2015-12-01

    Full Text Available Abstract Mesoporous, nanocrystalline, Zinc-doped TiO2 nanoparticles were synthesized by surfactant-assisted sol–gel method. The X-ray diffraction (XRD, scanning electron microscopy (SEM, transmission electron microscopy (TEM, Brunauer–Emmett–Teller (BET, and UV–VIS spectrometer techniques were used to characterize the synthesized products. XRD results confirm the formation of the anatase phase for the TiO2 nanoparticles, with crystallite sizes in the range of 12.6–18.1 nm. The small crystallite size and doping with Zinc ion inhibit phase transformation and promote the growth of the TiO2 anatase phase. The SEM and TEM micrographs revealed the spherical-like morphology with average diameter of about 12–18 nm which is in agreement with XRD results. The optical study shows that doping ions lead to an increase in the absorption edge wavelength and a decrease in the band gap energy of titania. Photocatalytic activity of the synthesized nanomaterials was successfully tested for photodegradation of methyl red as model pollutant under UV light. The photocatalytic activity results confirm that the doped nanoparticles show higher activity than undoped titania. The small grain size, high crystallinity, high specific surface area and decrease in the band gap energy of doped titania may be responsible for the high photocatalytic activity.

  10. Influence of coating material on laser damage threshold of TiO2 films

    Institute of Scientific and Technical Information of China (English)

    Jianke Yao; Zhengxiu Fan; Hongbo He; Jianda Shao

    2007-01-01

    @@ The optical property, structure, surface properties (roughness and defect density) and laser-induced damage threshold (LIDT) of TiO2 films deposited by electronic beam (EB) evaporation of TiO2 (rutile), TiO2 (anatase) and TiO2 + Ta2O5 composite materials are comparatively studied. All films show the polycrystalline anatase TiO2 structure. The loose sintering state and phase transformation during evaporating TiO2 anatase slice lead to the high surface defect density, roughness and extinction coefficient, and low LIDT of films. The TiO2 + Ta2O5 composite films have the lowest extinction coefficient and the highest LIDT among all samples investigated. Guidance of selecting materials for high LIDT laser mirrors is given.OCIS codes: 310.3840, 140.3330.

  11. Effect of substrate type, dopant and thermal treatment on physicochemical properties of TiO2–SnO2 sol–gel films

    Indian Academy of Sciences (India)

    I Stambolova; V Blaskov; S Vassilev; M Shipochka; A Loukanov

    2012-08-01

    Thin nanocrystalline TiO2–SnO2 films (0–50 mol% SnO2) were prepared on quartz and stainless steel substrates by sol–gel coating method. The obtained films were investigated by XRD, Raman spectroscopy and XPS. The size of the nanocrystallites was determined by XRD–LB measurements. We ascertained that the increase of treatment temperature and concentration of SnO2 in the films favour the crystallization of rutile phase. The substrate type influences more substantially the phase composition of the TiO2–SnO2 films. It was established that a penetration of elements took place fromthe substrate into the films. TiO2 films deposited on quartz substrate include a Si which stabilizes anatase phase up to 600 °C. The films which are deposited on stainless steel substrate and treated at 700 °C show the presence of significant quantity of rutile phase. This phenomenon could be explained by the combined effect of Sn dopant as well as Fe and Cr, which also are penetrated in the films from the steel substrate. The titania films doped up to 10 mol% SnO2 on stainless steel possess only 12–17 nm anatase crystallites, whereas the TiO2–(10–50 mol%) SnO2 films contain very fine grain rutile phase (4 nm).

  12. Theory studies on electronic structure and optical properties of N-Al co-doped anatase TiO2%N-Al共掺杂TiO2电子结构及光学性质的理论研究

    Institute of Scientific and Technical Information of China (English)

    荆涛; 张苹; 阚伟; 田景芝; 邓启刚

    2015-01-01

    应用基于密度泛函理论的第一性原理平面波超软赝势方法研究N和Al单掺杂和共掺杂锐钛矿相TiO2的电子结构、能带结构、态密度及光学性质。结果表明,掺杂后TiO2的晶格常数、原子间的键长、晶胞体积都发生了不同程度的变化;单掺杂和共掺杂均使得禁带宽度减小,而且位于价带和导带之间的杂质能级能够捕获由价带跃迁至导带的电子,减少光生载流子的复合率,提高TiO2的光催化性能;与单掺杂相比,共掺杂能级分裂较明显,吸收光谱红移幅度更大。%The electronic structures of N-doped, Al-doped and N-Al co-doped anatase TiO2 were investigated by the first-principles plane wave ultra-soft pseudo-potential method based on the density functional theory (DFT). The crystal structures, energy bands, density of states (DOS) and optical properties were analyzed. The results indicate that the lattices, cell volumes of TiO2 and bond length of atoms of TiO2 after doping have different degrees of change. The band gap of single doped samples is narrowed as the same as the N-Al co-doped TiO2. Also the impurity energy levels appear near the Fermi level,which can reduce the recombination rates of photoexcited carriers, so, the photo catalysis efficiency of TiO2 is improved. The N-Al co-doped anatase TiO2 shows a stronger red-shift in the absorption edge than the single doped samples, and its energy level splitting is more obvious.

  13. Thermal analysis of formation of nano-crystalline BaTiO3 using Ba(NO32 and TiO2

    Directory of Open Access Journals (Sweden)

    Md. Jawed Ansaree

    2015-12-01

    Full Text Available The reaction of Ba(NO32 with TiO2 was studied by thermogravimetric (TG and differential scanning calorimetric (DSC techniques up to 1000 °C and in nitrogen atmosphere. It was found that the formation of BaTiO3 takes place above 600 °C and that precursor mixing time and heating rate have no effect on the reaction temperature. BaTiO3 powder was prepared by calcination of Ba(NO32 and TiO2 precursor mixture at 800 °C for 8 h. X-ray diffraction analysis of the synthesized BaTiO3 confirmed the formation of tetragonal phase with lattice parameters a = 3.9950±0.0003 Å and c = 4.0318±0.0004 Å. Thermal analysis of the synthesized BaTiO3 powder showed weight loss within temperature range 40–1000 °C of only 0.40%. This small amount of weight loss was connected with some impurity phase, and identified as BaCO3 using Fourier transform infrared (FTIR technique.

  14. TiO2-SnO2纳米晶膜紫外光照下对臭氧气敏性能的研究%Research on Gas-Sensing Properties of TiO2-SnO2 Composite Nanocrystalline to Ozone under Ultra-Violet Light

    Institute of Scientific and Technical Information of China (English)

    胡明江; 马步伟; 王忠

    2014-01-01

    以低温水热法制备了TiO2-SnO2复合纳米晶粒,采用提拉法涂敷于带有金电极的氧化铝陶瓷管表面形成敏感薄膜,设计了一种新型薄膜式臭氧传感器。采用 X 射线衍射仪、热场发射扫描电子显微镜、能量色散X 射线谱仪和紫外-可见光谱能谱仪,表征了TiO2-SnO2纳米晶粒的晶体结构和微观形貌。采用紫外-可见吸收光谱法和电化学方法,讨论了TiO2-SnO2纳米晶粒对臭氧敏感机理与光电化学特性。在气体传感器静态测试系统上,采用XEDWS-60A型气敏元件分析仪测试了紫外光下臭氧传感器敏感特性、动态响应、抗干扰和稳定性。结果表明,以Ti与Sn摩尔比为6的TiO2-SnO2纳米晶粒为敏感薄膜的臭氧传感器,在相对湿度为40%和温度为25℃条件下,臭氧浓度为0.1~1.8μg/L时,有、无紫外光照射的臭氧传感器线性度分别为97.5%和78.5%,动态响应分别为2和9 s,恢复时间分别为5.5和15 s。此传感器对CO、NOx、甲醛、丙酮、丁醇和甲醇等气体具有良好的抗干扰性能。在汽车上连续使用12个月后,响应衰减了4.7%,响应正常时间为8.5个月。%TiO2-SnO2 composite nanocrystalline was prepared by the low temperature hydrothermal method. A new film-type ozone sensor was developed by using TiO2-SnO2 composite nanocrystallines transferred onto an alumina ceramic tube with Au electrodes by dip-coating method. The crystalline phase and microstructure of TiO2-SnO2 nanocrystallines were characterized by X-ray diffraction ( XRD) , field emission scanning electron microscope ( FE-SEM) , energy dispersive X-ray analysis ( EDAX) and ultraviolet-visible spectrometry ( UV-Vis) . The ozone sensitive mechanism and photoelectrochemical properties of TiO2-SnO2 nanocrystallines were analyzed by using ultraviolet-visible spectrometry and electrochemical method. These characteristic tests of ozone sensor were carried out on the traits of sensitive performance, dynamic response

  15. On the Crystal Structural Control of Sputtered TiO2 Thin Films.

    Science.gov (United States)

    Jia, Junjun; Yamamoto, Haruka; Okajima, Toshihiro; Shigesato, Yuzo

    2016-12-01

    In this study, we focused on the origin on the selective deposition of rutile and anatase TiO2 thin films during the sputtering process. The observation on microstructural evolution of the TiO2 films by transmission electron microscopy revealed the coexistence of rutile and anatase TiO2 phases in the initial stage under the preferential growth conditions for the anatase TiO2; the observations further revealed that the anatase phase gradually dominated the crystal structure with increasing film thickness. These results suggest that the bombardment during the sputtering deposition did not obviously affect the TiO2 crystal structure, and this was also confirmed by off-axis magnetron sputtering experiments. We also investigated the mechanism of the effect of Sn impurity doping on the crystal structure using first-principles calculations. It is found that the formation energy of Sn-doped rutile TiO2 is lower than that of Sn-doped anatase TiO2; this suggests that the Sn-doped TiO2 favours the rutile phase. These results offer a guideline for the utilization of selective deposition of rutile and anatase TiO2 thin films in various industrial applications.

  16. On the Crystal Structural Control of Sputtered TiO2 Thin Films

    Science.gov (United States)

    Jia, Junjun; Yamamoto, Haruka; Okajima, Toshihiro; Shigesato, Yuzo

    2016-07-01

    In this study, we focused on the origin on the selective deposition of rutile and anatase TiO2 thin films during the sputtering process. The observation on microstructural evolution of the TiO2 films by transmission electron microscopy revealed the coexistence of rutile and anatase TiO2 phases in the initial stage under the preferential growth conditions for the anatase TiO2; the observations further revealed that the anatase phase gradually dominated the crystal structure with increasing film thickness. These results suggest that the bombardment during the sputtering deposition did not obviously affect the TiO2 crystal structure, and this was also confirmed by off-axis magnetron sputtering experiments. We also investigated the mechanism of the effect of Sn impurity doping on the crystal structure using first-principles calculations. It is found that the formation energy of Sn-doped rutile TiO2 is lower than that of Sn-doped anatase TiO2; this suggests that the Sn-doped TiO2 favours the rutile phase. These results offer a guideline for the utilization of selective deposition of rutile and anatase TiO2 thin films in various industrial applications.

  17. Facile Synthesis of Nanostructured Anatase Titania with Controllable Morphology via Oxidation of TiC with Hydrogen Peroxide

    Directory of Open Access Journals (Sweden)

    Yuduo Ren

    2016-01-01

    Full Text Available Nanostructured anatase TiO2 with controllable morphology has been fabricated via the oxidation of TiC with H2O2. At room temperature, the reaction of TiC with H2O2 leads to dissolution of TiC into H2O2 aqueous solution, producing an acidic solution. By drying the acidic solution at 80°C in air, an amorphous powder of polytitanic acid with oxalate ligands is obtained, and its morphology is found to rely on the reaction time. By annealing the amorphous acidic powder at T > 350°C, the nanostructured anatase TiO2 with controllable morphology is generated. Depending on the oxidation time, the morphology can be fabricated as sponge-like shape, flower-like shape, spongy balls, and so forth. The nanostructured anatase TiO2 is stable under the heating treatments until 900°C, and its morphology can be tuned to the nanocrystalline grains. In addition to the annealing way, rice-shaped anatase nanocrystals can be directly formed by aging the acidic solution under ambient conditions.

  18. Role of Adsorbed Water on Charge Carrier Dynamics in Photoexcited TiO2

    Science.gov (United States)

    2017-01-01

    Overall photocatalytic water splitting is one of the most sought after processes for sustainable solar-to-chemical energy conversion. The efficiency of this process strongly depends on charge carrier recombination and interaction with surface adsorbates at different time scales. Here, we investigated how hydration of TiO2 P25 affects dynamics of photogenerated electrons at the millisecond to minute time scale characteristic for chemical reactions. We used rapid scan diffuse-reflectance infrared Fourier transform spectroscopy (DRIFTS). The decay of photogenerated electron absorption was substantially slower in the presence of associated water. For hydrated samples, the charge carrier recombination rates followed an Arrhenius-type behavior in the temperature range of 273–423 K; these became temperature-independent when the material was dehydrated at temperatures above 423 K or cooled below 273 K. A DFT+U analysis revealed that hydrogen bonding with adsorbed water stabilizes surface-trapped holes at anatase TiO2(101) facet and lowers the barriers for hole migration. Hence, hole mobility should be higher in the hydrated material than in the dehydrated system. This demonstrates that adsorbed associated water can efficiently stabilize photogenerated charge carriers in nanocrystalline TiO2 and suppress their recombination at the time scale up to minutes.

  19. Spectral and photocatalytic characteristics of TiO2 CVD films on quartz.

    Science.gov (United States)

    Mills, Andrew; Lee, Soo-Keun; Lepre, Anne; Parkin, Ivan P; O'Neill, Shane A

    2002-11-01

    A series of novel CVD films of titanium(IV) oxide of different thicknesses, spanning the range 10-91 nm, are prepared on quartz, via the reaction of titanium(IV) chloride and ethyl acetate, using a CVD technique. The films are clear, mechanically robust and comprise thin layer of nanocrystalline anatase titania of different thicknesses that absorb UV light. The UV-Visible spectral profiles of all the CVD TiO2 films of different thickness are the same and obey Lambert's law (absorbance is porportional to film thickness). A plot of the reciprocal length for the TiO2 coating versus wavelength is reported. The photocatalytic activity of each film to mediate the destruction of a thin layer of stearic acid is investigated. The rate depends directly upon the fraction of light absorbed and the apparent quantum yield for the overall process is 0.00035, which appears low compared with that for sol-gel TiO2 films.

  20. Effects of Co-addition of DBS and PEG on Wetting Performance of TiO2 Film

    Institute of Scientific and Technical Information of China (English)

    QU Yi-chun; JING Li-qiang; WANG Wen-xin; FU Hong-gang; LIU Yang

    2011-01-01

    Nanocrystalline anatase TiO2 films with indium tin oxide(ITO) coated glass as the film substrate were fabricated through spin-coating technique. The TiO2 pastes were prepared with sodium dodecylbenzenesulfonate(DBS)modified TiO2 nanocrystals, synthesized by sol-hydrothermal processes in advance, together with different amounts of polyethylene glycol(PEG) macromolecules. The as-prepared films were mainly characterized by ultraviolet-visible (UV-Vis) spectroscopy, field emission scanning electron microscopy(FE-SEM) and water contact angle(WCA) measurement. Effects of the addition of DBS and PEG on the wetting performance of the resulting films and relevant mechanisms were principally investigated. The results show that the as-prepared film displays super-hydrophilic property after co-addition of DBS and PEG although it is not exposed to ultraviolet light prior to the WCA measurement. This appealing result is mainly attributed to the produced micro- and nanometer-scale hierarchical surface structure with uniformly dispersed micro papillae. Each papilla was made up of a great number of TiO2 nanoparticles.The possible formation mechanisms related to the DBS amphiphilic property of the characteristic surface were also suggested. Moreover, the resulting film also exhibits considerable durability in the superhydrophilicity, which is very useful for practical application in self-cleaning, anti-fogging, and bacteria-resistant fields.

  1. Anomalous behavior of visible light active TiO2 for the photocatalytic degradation of different Reactive dyes.

    Science.gov (United States)

    Kaur, Navneet; Shahi, Satwant Kaur; Singh, Vasundhara

    2015-11-01

    Nanocrystalline undoped, N-doped, N and metal codoped titania with different particle size, surface area, anatase phase content, crystallinity, band gap and zeta potential were synthesized by the sol-gel method. The photocatalytic activities of the synthesized TiO2 powders were compared by employing four different Reactive dyes. The order of photocatalytic activity observed for Reactive Red 198 dye (RR 198) was undoped = N,Cu codoped = N-doped > N,Fe codoped TiO2, Reactive Blue 4 dye (RB 4) was N,Cu codoped > N,Fe codoped > N-doped > undoped TiO2, Reactive Black 5 dye (RB 5) was N,Cu codoped* > undoped > N-doped > N,Fe codoped TiO2 and negligible degradation was observed for Reactive Orange 16 dye (RO 16). In this paper, the anomalous trend of the photocatalytic activity of various photocatalysts for the degradation of a particular class of dyes has been observed and accounted for based upon three parameters: mechanism of degradation, physicochemical properties of the catalyst and adsorption behavior based on the zeta potential. It was concluded that apart from these parameters, the substrate-specificity of the catalyst is also of equal importance in developing new catalysts for the photodegradation of dyes present in textile effluents.

  2. Green microwave switching from oxygen rich yellow anatase to oxygen vacancy rich black anatase TiO₂ solar photocatalyst using Mn(II) as 'anatase phase purifier'.

    Science.gov (United States)

    Ullattil, Sanjay Gopal; Periyat, Pradeepan

    2015-12-07

    Green and rapid microwave syntheses of 'yellow oxygen rich' (YAT-150) and 'black oxygen vacancy rich' (BAT-150) anatase TiO2 nanoparticles are reported for the first time. YAT-150 was synthesized using only titanium(iv) butoxide and water as precursors. The in situ precursor modification by Mn(ii) acetate switched anatase TiO2 from YAT-150 to BAT-150. The entry of Mn(2+) into the crystal lattice of anatase TiO2 paved the way for peak texturing in the existing peak orientations along with the origin of three new anatase TiO2 peaks in the (103), (213) and (105) directions. The as synthesized ultra-small (∼5 nm) yellow and black anatase TiO2 nanoparticles were found to be two fold and four fold more photoactive than the commercially available photocatalyst Degussa-P25 under sunlight illumination.

  3. N,Fe,La三掺杂锐钛矿型TiO2能带调节的理论与实验研究∗%Theoretical and exp erimental studies on N, Fe, La co-doped anatase TiO2 band adjustment

    Institute of Scientific and Technical Information of China (English)

    王庆宝; 张仲; 徐锡金; 吕英波; 张芹

    2015-01-01

    采用基于密度泛函理论(DFT)的平面波超软赝势方法(PWPP),利用Material studio计算N, Fe, La三种元素掺杂引起的锐钛矿TiO2晶体结构、能带结构和态密度变化.并通过溶胶-凝胶法制得锐钛矿型本征TiO2, N, Fe共掺杂TiO2和N, Fe, La共掺杂TiO2;用X射线衍射和扫描电镜表征结构;紫外-可见分光光度计检测TiO2对甲基橙的降解效率变化.计算结果表明,由于N, Fe, La三掺杂TiO2的晶格体积、键长等发生变化,导致晶体对称性下降,光生电子-空穴对有效分离,同时在导带底和价带顶形成杂质能级, TiO2禁带宽度由1.78 eV变为1.35 eV,减小25%,光吸收带边红移,态密度数增加,电子跃迁概率提升,光催化能力增加.实验结果表明:离子掺杂使颗粒变小,粒径大小:本征TiO2>N/Fe_TiO2>N/Fe/La_TiO2,并测得N/Fe/La_TiO2发光峰425 nm,能隙减小,光催化能力比N/Fe_TiO2强,增强原因是杂质能级和电子态数量增加引起.%Based on the plane wave method (PWPP) of densiy functional theory (DFT) we model the N, Fe, La three elements co-doped anatase TiO2 crystal structure and calculate its band structure and density of states with Material Studio. By the sol-gel method, the intrinsic anatase TiO2 and the anatase TiO2 with N, Fe, La three elements co-doping are prepared and investigated by X-ray diffraction (XRD) and scanning electron microscope (SEM). Results indicate that the changes of the N, Fe, La co-doped TiO2 lattice volume and its bond length will result in a decline of the crystal symmetry and the effective separation of the electron-hole pair. Impurity level appearing at the bottom of the conduction band and at the top of valence band leads to the decrease of the TiO2 forbidden band width(1.78 eV to 1.35 eV, reduced by 25%), the red shift of light absorption edge, the increase of density of states as well as, the improve ment of electron transition probability and the photocatalytic efficiency of TiO2. Ion

  4. Passivation of nanocrystalline TiO2 junctions by surface adsorbed phosphinate amphiphiles enhances the photovoltaic performance of dye sensitized solar cells

    KAUST Repository

    Wang, Mingkui

    2009-01-01

    We report a new class of molecular insulators that electronically passivate the surface of nanocrystalline titania films for high performance dye sensitized solar cells (DSC). Using electrical impedance measurements we demonstrate that co-adsorption of dineohexyl bis-(3,3-dimethyl-butyl)-phosphinic acid (DINHOP), along with the amphiphilic ruthenium sensitizer Z907Na increased substantially the power output of the cells mainly due to a retardation of interfacial recombination of photo-generated charge carriers. The use of phosphinates as anchoring groups opens up new avenues for modification of the surface by molecular insulators, sensitizers and other electro-active molecules to realize the desired optoelectronic performance of devices based on oxide junctions. © 2009 The Royal Society of Chemistry.

  5. Thermo-selective TmxTi1-xO2-x/2 nanoparticles: from Tm-doped anatase TiO2 to a rutile/pyrochlore Tm2Ti2O7 mixture. An experimental and theoretical study with a photocatalytic application

    Science.gov (United States)

    Navas, Javier; Sánchez-Coronilla, Antonio; Aguilar, Teresa; de Los Santos, Desireé M.; Hernández, Norge C.; Alcántara, Rodrigo; Fernández-Lorenzo, Concha; Martín-Calleja, Joaquín

    2014-10-01

    This is an experimental and theoretical study of thulium doped TiO2 nanoparticles. From an experimental perspective, a method was used to synthesize thulium-doped TiO2 nanoparticles in which Tm3+ replaces Ti4+ in the lattice, which to our knowledge has neither been reported nor studied theoretically so far. Different proportions of anatase and rutile phases were obtained at different annealing temperatures, and XRD and Raman spectroscopy also revealed the presence of a pyrochlore phase (Tm2Ti2O7) at 1173 K. Thus, the structure of the Tm-doped nanoparticles was thermally-controlled. Furthermore, XPS showed the presence of Tm3+ in the samples synthesized, which produces oxygen vacancies to maintain the local neutrality in the lattice. The presence of Tm3+ in the samples led to changes in the UV-Vis absorption spectra, so they showed photoluminescence properties and new states in the band gap, which produce a new lower energy electronic transition than the main TiO2 one. Periodic DFT calculations were performed to understand the experimentally produced structures. The production of oxygen vacancies was analysed and the changes generated in the structure were fully detailed. The DOS and PDOS analyses confirmed the experimental results obtained using UV-Vis spectroscopy, and showed that the new electronic states in the band gap are due to interactions of the f state of Tm and the p state of O. Likewise, the charge study and the ELF analysis indicate that when Tm is introduced into the TiO2 structure, the Ti-O bond around the oxygen vacancy is strengthened. Finally, an example of a photocatalytic application was developed to show the high efficiency of the samples due to the heterojunction in the interfaces of the phases in the samples, which improved the charge separation and the good charge carrier mobility due to the presence of the pyrochlore phase, as was also shown theoretically.This is an experimental and theoretical study of thulium doped TiO2 nanoparticles. From

  6. Nanocrystalline rutile electron extraction layer enables low-temperature solution processed perovskite photovoltaics with 13.7% efficiency.

    Science.gov (United States)

    Yella, Aswani; Heiniger, Leo-Philipp; Gao, Peng; Nazeeruddin, Mohammad Khaja; Grätzel, Michael

    2014-05-14

    We demonstrate low-temperature (70 °C) solution processing of TiO2/CH3NH3PbI3 based solar cells, resulting in impressive power conversion efficiency (PCE) of 13.7%. Along with the high efficiency, a strikingly high open circuit potential (VOC) of 1110 mV was realized using this low-temperature chemical bath deposition approach. To the best of our knowledge, this is so far the highest VOC value for solution-processed TiO2/CH3NH3PbI3 solar cells. We deposited a nanocrystalline TiO2 (rutile) hole-blocking layer on a fluorine-doped tin oxide (FTO) conducting glass substrate via hydrolysis of TiCl4 at 70 °C, forming the electron selective contact with the photoactive CH3NH3PbI3 film. We find that the nanocrystalline rutile TiO2 achieves a much better performance than a planar TiO2 (anatase) film prepared by high-temperature spin coating of TiCl4, which produces a much lower PCE of 3.7%. We attribute this to the formation of an intimate junction of large interfacial area between the nanocrystalline rutile TiO2 and the CH3NH3PbI3 layer, which is much more effective in extracting photogenerated electrons than the planar anatase film. Since the complete fabrication of the solar cell is carried out below 100 °C, this method can be easily extended to plastic substrates.

  7. Enhanced efficiency of dye-sensitized solar cells with novel synthesized TiO2.

    Science.gov (United States)

    Ju, Ki-Young; Cho, Jung-Min; Cho, Sung-June; Yun, Je-Jung; Mun, Soo-San; Han, Eun-Mi

    2010-05-01

    An anatase TiO2 and three kinds of novel TiO2 nanoparticles were prepared by a hydrothermal method for dye-sensitized solar cells (DSSCs), which were obtained by mixing NaOH (10 M), KOH (14 M) and LiOH (10 M) solution with an anatase TiO2 powder, respectively. The TiO2 working electrodes of DSSCs were prepared and the photoelectric properties of the cells were characterized. The influence of different poly(ethylene glycol) contents in TiO2 films with and without HNO3 treatment on the electron transfer in DSSCs were investigated. It is found that the DSSC with HNO3 (0.002 mol/l)-treated film containing 16.7 wt% PEG shows the higher power conversion efficiency of 6.0%, which was mainly depended on the degrees of TiO2 pore size and uniformity of TiO2 films.

  8. Photocatalytic antibacterial performance of Sn(4+)-doped TiO(2) thin films on glass substrate.

    Science.gov (United States)

    Sayilkan, Funda; Asiltürk, Meltem; Kiraz, Nadir; Burunkaya, Esin; Arpaç, Ertuğrul; Sayilkan, Hikmet

    2009-03-15

    Pure anatase, nanosized and Sn(4+) ion doped titanium dioxide (TiO(2)) particulates (TiO(2)-Sn(4+)) were synthesized by hydrothermal process. TiO(2)-Sn(4+) was used to coat glass surfaces to investigate the photocatalytic antibacterial effect of Sn(4+) doping to TiO(2) against gram negative Escherichia coli (E. coli) and gram positive Staphylococcus aureus (S. aureus). Relationship between solid ratio of TiO(2)-Sn(4+) in coatings and antibacterial activity was reported. The particulates and the films were characterized using particle size analyzer, zeta potential analyzer, Brunauer-Emmett-Teller (BET), X-ray diffractometer (XRD), SEM, AAS and UV/VIS/NIR techniques. The results showed that TiO(2)-Sn(4+) is fully anatase crystalline form and easily dispersed in water. Increasing the solid ratio of TiO(2)-Sn(4+) from 10 to 50% in the coating solution increased antibacterial effect.

  9. Decolorization of Methylene Blue with TiO2 Sol via UV Irradiation Photocatalytic Degradation

    OpenAIRE

    2010-01-01

    TiO2 sol was prepared for the degradation of methylene blue (MB) solution under ultraviolet (UV) irradiation. The absorption spectra of MB indicated that the maximum wavelength, 663 nm, almost kept the same. The performance of 92.3% for color removal was reached after 160 min. The particle size of TiO2 sol was about 22.5 nm. X-ray diffraction showed that TiO2 consisted of a single anatase phase. The small size and anatase phase probably resulted in high photocatalytic activity of TiO2 sol. Th...

  10. Room-temperature synthesis of iron-doped anatase TiO₂ for lithium-ion batteries and photocatalysis.

    Science.gov (United States)

    Andriamiadamanana, Christian; Laberty-Robert, Christel; Sougrati, Moulay T; Casale, Sandra; Davoisne, Carine; Patra, Snehangshu; Sauvage, Frédéric

    2014-10-06

    Iron-doped nanocrystalline particles of anatase TiO2 (denoted x% Fe-TiO2, with x the nominal [Fe] atom % in solution) have been successfully synthesized at room temperature by a controlled two-step process. Hydrolysis of titanium isopropoxide is first achieved to precipitate Ti(OH)4 species. A fine control of the pH allows one to maintain (i) soluble iron species and (ii) a sluggish solubility of Ti(OH)4 to promote a dissolution and condensation of titanium clusters incorporating iron, leading to the precipitation of iron-doped anatase TiO2. The pH does then influence both the nature and crystallinity of the final phase. After 2 months of aging at pH = 2, well-dispersed nanocrystalline iron-doped TiO2 particles have been achieved, leading to 5-6 nm particle size and offering a high surface area of ca. 280 m(2)/g. This dissolution/recrystallization process allows the incorporation of a dopant concentration of up to 7.7 atom %; the successful incorporation of iron in the structure is demonstrated by X-ray diffraction, high-resolution transmission electron microscopy, and Mössbauer spectroscopy. This entails optical-band-gap narrowing from 3.05 to 2.30 eV. The pros and cons effects of doping on the electrochemical properties of TiO2 versus lithium are herein discussed. We reveal that doping improves the power rate capability of the electrode but, in turn, deserves the electrolyte stability, leading to early formation of SEI. Finally, we highlight a beneficial effect of low iron introduction into the anatase lattice for photocatalytic applications under standard AM1.5G visible-light illumination.

  11. Surface CuO, Bi2O3, and CeO2 Species Supported in TiO2-Anatase: Study of Interface Effects in Toluene Photodegradation Quantum Efficiency.

    Science.gov (United States)

    Muñoz-Batista, Mario J; Kubacka, Anna; Fontelles-Carceller, Olga; Tudela, David; Fernández-García, Marcos

    2016-06-08

    The enhancement of active triggered by surface deposition of Cu, Bi, and Ce containing oxidic species onto a high surface area anatase is analyzed through the calculation of the quantum efficiency for toluene photodegradation under UV and Sunlight-type illumination. To this end, series of Cu, Bi, and Ce containing oxides supported on anatase were synthesized having a growing content of the Cu, Bi, and Ce surface species and characterized with X-ray diffraction and photoelectron, UV-visible, and photoluminescence spectroscopies as well as transmission electron microscopy. Utilizing the surface concentration of Cu, Bi, and Ce species as a tool, we analyzed the influence of the system physicochemical properties affecting quantum efficiency in anatase-based materials. First, employing small surface concentrations of the Cu, Bi, and Ce species deposited onto (the unperturbed) anatase, we provided evidence that all steps of the photocatalytic event, including light absorption, charge recombination, as well as surface interaction with the pollutant and chemical output as to activity and selectivity have significance in the quantitative assessment of the enhancement of the efficiency parameter. Second, we analyzed samples rendering maximum quantum efficiency within all these series of materials. The study indicates that maximum enhancement over anatase displays a magnitude strongly dependent on the efficiency level of calculation and would thus require the use of the most accurate one, and that it occurs through a balance between optoelectronic and chemical properties of the composite materials. The (Cu, Bi, Ce) oxide-anatase interface plays a major role modulating the optoelectronic properties of the solids and thus the efficiency observable.

  12. Anomalous behavior of B{sub 1g} mode in highly transparent anatase nano-crystalline Nb-doped Titanium Dioxide (NTO) thin films

    Energy Technology Data Exchange (ETDEWEB)

    Gautam, Subodh K., E-mail: subodhkgtm@gmail.com, E-mail: fouran@gmail.com; Ojha, S.; Singh, Fouran, E-mail: subodhkgtm@gmail.com, E-mail: fouran@gmail.com [Material Science Group, Inter University Accelerator Centre, New Delhi -110067 (India); Gautam, Naina [Department of Electronic Science, University of Delhi South Campus, New Delhi - 110023 (India); Singh, R. G. [Department of Physics, Bhagini Nivedita College, Delhi University, Delhi– 110043 (India); Shukla, D. K. [UGC-DAE Consortium for Scientific Research, University Campus, Khandwa Road, Indore 452017 (India)

    2015-12-15

    The effect of Niobium doping and size of crystallites on highly transparent nano-crystalline Niobium doped Titanium Dioxide (NTO) thin films with stable anatase phase are reported. The Nb doping concentration is varied within the solubility limit in TiO{sub 2} lattice. Films were annealed in controlled environment for improving the crystallinity and size of crystallites. Elemental and thickness analysis were carried out using Rutherford backscattering spectrometry and cross sectional field emission scanning electron microscopy. Structural characteristics reveal a substitutional incorporation of Nb{sup +5} in the TiO{sub 2} lattice which inhibits the anatase crystallites growth with increasing the doping percentage. The micro-Raman (MR) spectra of films with small size crystallites shows stiffening of about 4 cm{sup −1} for the E{sub g(1)} mode and is ascribed to phonon confinement and non-stoichiometry. In contrast, B{sub 1g} mode exhibits a large anomalous softening of 20 cm{sup −1} with asymmetrical broadening; which was not reported for the case of pure TiO{sub 2} crystallites. This anomalous behaviour is explained by contraction of the apical Ti-O bonds at the surface upon substitutional Nb{sup 5+} doping induced reduction of Ti{sup 4+} ions also known as hetero-coordination effect. The proposed hypotheses is manifested through studying the electronic structure and phonon dynamics by performing the near edge x-ray absorption fine structure (NEXAFS) and temperature dependent MR down to liquid nitrogen temperature on pure and 2.5 at.% doped NTO films, respectively.

  13. Remarkable Charge Separation and Photocatalytic Efficiency Enhancement through Interconnection of TiO2 Nanoparticles by Hydrothermal Treatment.

    Science.gov (United States)

    Ide, Yusuke; Inami, Nozomu; Hattori, Hideya; Saito, Kanji; Sohmiya, Minoru; Tsunoji, Nao; Komaguchi, Kenji; Sano, Tsuneji; Bando, Yoshio; Golberg, Dmitri; Sugahara, Yoshiyuki

    2016-03-01

    Although tremendous effort has been directed to synthesizing advanced TiO2 , it remains difficult to obtain TiO2 exhibiting a photocatalytic efficiency higher than that of P25, a benchmark photocatalyst. P25 is composed of anatase, rutile, and amorphous TiO2 particles, and photoexcited electron transfer and subsequent charge separation at the anatase-rutile particle interfaces explain its high photocatalytic efficiency. Herein, we report on a facile and rational hydrothermal treatment of P25 to selectively convert the amorphous component into crystalline TiO2 , which is deposited between the original anatase and rutile particles to increase the particle interfaces and thus enhance charge separation. This process produces a new TiO2 exhibiting a considerably enhanced photocatalytic efficiency. This method of synthesizing this TiO2 , inspired by a recently burgeoning zeolite design, promises to make TiO2 applications more feasible and effective.

  14. Electrorheological Effects of Cerium-Doped TiO2

    Institute of Scientific and Technical Information of China (English)

    尹剑波; 赵晓鹏

    2001-01-01

    It is found that the doping of cerium ion into anatase TiO2 can improve the electrorheological (ER) effects of TiO2 and broaden the operational temperature range. Especially, the substitution of 7-11 mol% of the cerium dopant for Ti can obtain a relatively high shear stress, t-7.4kPa (at 4kV/mm), which is ten times larger than that of pure TiO2 ER fluid. Also, the typical Ce-doped TiO2 ER fluid shows the highest shear stress at 80℃, but 40℃ for pure TiO2 ER fluid. The dielectric loss and dielectric constant at a low frequency of TiO2 is improved by the doping of cerium, and the temperature dependence of the dielectric properties shows an obvious differnce between pure and doped TiO2 ER fluids. These can well explain the ER behaviour of doped TiO2. Furthermore, the change of rheological and dielectric properties is discussed on the basis of the lattice distortion and defects in TiO2 arising from the doping of cerium.

  15. Influence of annealing on optical and photovoltaic properties of nanostructured TiO2 films

    Science.gov (United States)

    Serikov, T. M.; Ibrayev, N. Kh; Smagulov, Zh Kh; Kuterbekov, К. А.

    2017-01-01

    Spectral and kinetic characteristics of the photoluminescence of TiO2 films obtained from TiO2 nanoparticles and nanotubes were studied. Luminescence spectra typical for the TiO2 with anatase structure were observed under UV excitation of the films. Heat treatment of the films at T=1273 K leads to a long-wavelength shift of the photoluminescence band with maximum at 850 nm, which corresponds to the rutile structure. The luminescence duration of rutile films is longer than the luminescence duration of the anatase films as for nanoparticles and for nanotubes. The photovoltaic properties of TiO2 films with different structures were investigated. It was established that anatase structured films have a higher photocurrent than the rutile structured film. By impedance spectroscopy method it was found that the electron transport resistance in the nanotube films is higher but the recombination rate is lower than in the TiO2 nanoparticle films.

  16. Surface ζ potential and photocatalytic activity of rare earths doped TiO2

    Institute of Scientific and Technical Information of China (English)

    SONG Mianxin; BIAN Liang; ZHOU Tianliang; ZHAO Xiaoyong

    2008-01-01

    The iso-electric point of different rare earths (La, Ce, Y) doped anatase TiO2 was set out, and three organisms with different sur-face electrical properties (methylene blue trihydrate-positive electricity, methyl orange-negative electricity, methyl red-neutral electricity) were selected as photodegradable models. The result showed that the photocatalytic activity of 0.5wt.%Y ions doped anatase TiO2 was better than those of the others. The relationship between Zeta (ζ) potential and the photocatalytic activity of different RE doped anatase TiO2 were also investigated. The Y-doped anatase TiO2 was found with the special two iso-electric points and three ζ potential values.

  17. Characteristics of dye-sensitized solar cell with TiO2 anode under UV irradiation

    Science.gov (United States)

    Lee, Ming-Kwei; Hsiao, Chih-Chen; Weng, Hao-Wei

    2016-03-01

    The anatase phase crystalline quality of commercial TiO2 (P25) nanoparticle sintered in air and N2 is improved. Compared DSSC with air-sintered TiO2 anode, DSSC with N2-sintered TiO2 anode has better performance mainly from high optical absorption efficiency. Under UV irradiation, organic contaminants adsorbed on TiO2 are dissociated by the photocatalysis, and the dye adsorption is enhanced. The DSSC performance with UV-treated/N2-sintered TiO2 anode is further improved.

  18. Immobilization of Various Cobalt (Ⅱ) Phthalocyanine Sulphonates on Nanocrystalline TiO2 Thin Films and Their Effect on Degradation of Methylene Blue%酞菁钴磺酸盐在纳米TiO2薄膜上的固载化及对亚甲基蓝的降解作用

    Institute of Scientific and Technical Information of China (English)

    史成武; 占小平; 史高杨; 桃李

    2011-01-01

    Single-nuclear cobalt (Ⅱ) phthalocyanine tetrasulphonates (s-CoPc), bi-nuclear cobalt ( Ⅱ ) phthalocyanine hexasulphonates(b-CoPc) and tri-nuclear cobalt (Ⅱ) phthalocyanine octasulphonates (t-CoPc) were synthesized and immobilized on nanocrystalline TiO2 thin films. The ultraviolet-visible (UV-Vis) spectra of s-CoPc, b-CoPc and t-CoPc in aqueous solution were examined, and the adsorption of t-CoPc on the nanocrystalline TiO2 powder was investigated by infrared (IR) spectrometer. The photocatalytic and catalytic activity of various CoPc/nanocrystalline TiO2 thin films was evaluated by degradation of methylene blue (MB) aqueous solution with air as an oxidant under visible light irradiation and dark condition. From the UV-Vis spectra, the Q-band of b-CoPc and t-CoPc shifts from 655 nm of s-CoPc to 658 and 663 nm, respectively. The IR spectra indicate that the TiO2 could bind t-CoPc by interactions between some sulfonic groups of t-CoPc and nanocrystalline TiO2 powder. According to the degradation result, various CoPc could sensitize nanocrystalline TiO2 thin films and improve their photocatalytic activity and catalytic activity under dark condition (t-CoPc>b-CoPc>s-CoPc), and the order is similar to that of catalytic activity under dark condition. The CoPc/nanoerystalline TiO2thin films for the utilization of solar energy in a large scale could be recycled in degradation of MB.%合成了单、双、三核酞菁钴磺酸盐[single-nuclear cobalt(Ⅱ)phthalocyanine tetrasulphonates,s-CoPc;bi-nuclenr cobalt(Ⅱ)phthalocyanine hexasulphonates,b-CoPc:tri-nuclear cobalt(Ⅱ)phthalocyanine octasulphonates,t-CoPc],并将其固载于纳米TiO2薄膜上,测量了s-CoPc,b-CoPc和t-CoPc水溶液的紫外可见光谱,利用红外光谱表征t-CoPc在纳米TiO2粉末上的吸附特性.以空气为氧化剂,比较了3种CoPc/纳米TiO2薄膜在可见光照射和黑暗条件下对亚甲基蓝(methylene blue,MB)降解的光催化和催化活性.结果表明:b-CoPc和t-CoPc

  19. Hydrothermal synthesis of TiO2 Nanotubes: Microwave heating versus conventional heating

    CSIR Research Space (South Africa)

    Sikhwivhilu, LM

    2010-01-01

    Full Text Available The influence of the method of synthesis in the properties of the tubular structures derived from TiO2 was investigated using XRD, SEM and BET analysis. The use of microwave irradiation resulted in the formation of TiO2 tubes comprising anatase...

  20. A novel TiO2 composite for photocatalytic wastewater treatment

    NARCIS (Netherlands)

    Hamdy, Mohamed S.; Saputera, Wibawa H.; Groenen, Edgar J.; Mul, Guido

    2014-01-01

    A novel TiO2 composite consisting of Anatase interacting with a Ti3+-containing Rutile phase was synthesized by heating a mixture of TiO2 (Hombikat) and Ti2O3 in air at different temperatures ranging from 300 °C up to 900 °C. The preparation of the samples was analyzed by Thermal Gravimetric