WorldWideScience

Sample records for tio2 nanorods functionalized

  1. TiO2 nanorod arrays functionalized with In2S3 shell layer by a low-cost route for solar energy conversion

    International Nuclear Information System (INIS)

    Gan Xiaoyan; Li Xiaomin; Gao Xiangdong; Qiu Jijun; Zhuge Fuwei

    2011-01-01

    We report the fabrication and characterization of a TiO 2 -In 2 S 3 core-shell nanorod array structure for application of semiconductor-sensitized solar cells. Hydrothermally synthesized TiO 2 nanorod arrays on FTO glass substrates are functionalized with a uniform In 2 S 3 shell layer by using the successive ion layer adsorption and reaction (SILAR) method. This low-cost technique promotes a uniform deposition of In 2 S 3 nanoshells on the surface of TiO 2 nanorods, thus forming an intact interface between the In 2 S 3 shell and TiO 2 core. Results show that the thickness of In 2 S 3 shell layers as well as the visible light absorption threshold can be effectively controlled by varying the coating cycles during the SILAR process. The best reproducible performance of the sandwich solar cell using the TiO 2 -In 2 S 3 core-shell nanorod arrays as photoelectrodes was obtained after 30 SILAR cycles, exhibiting a short-circuit current (I sc ) of 2.40 mA cm -2 , an open-circuit voltage (V oc ) of 0.56 V, a fill factor (ff) of 0.40 and a conversion efficiency (η) of 0.54%, respectively. These results demonstrate a feasible and controllable route towards In 2 S 3 coating on a highly structured substrate and a proof of concept that such TiO 2 -In 2 S 3 core-shell architectures are novel and promising photoelectrodes in nanostructured solar cells.

  2. TiO2 nanorods/PMMA copolymer-based nanocomposites: highly homogeneous linear and nonlinear optical material

    International Nuclear Information System (INIS)

    Sciancalepore, C; Agostiano, A; Cassano, T; Valentini, A; Curri, M L; Striccoli, M; Mecerreyes, D; Tommasi, R

    2008-01-01

    Original nanocomposites have been obtained by direct incorporation of pre-synthesized oleic acid capped TiO 2 nanorods into properly functionalized poly(methyl methacrylate) copolymers, carrying carboxylic acid groups on the repeating polymer unit. The presence of carboxylic groups on the alkyl chain of the host functionalized copolymer allows an highly homogeneous dispersion of the nanorods in the organic matrix. The prepared TiO 2 /PMMA-co-MA nanocomposites show high optical transparency in the visible region, even at high TiO 2 nanorod content, and tunable linear refractive index depending on the nanoparticle concentration. Finally measurements of nonlinear optical properties of TiO 2 polymer nanocomposites demonstrate a negligible two-photon absorption and a negative value of nonlinear refractive index, highlighting the potential of the nanocomposite for efficient optical devices operating in the visible region

  3. TiO2 nanorods/PMMA copolymer-based nanocomposites: highly homogeneous linear and nonlinear optical material

    Science.gov (United States)

    Sciancalepore, C.; Cassano, T.; Curri, M. L.; Mecerreyes, D.; Valentini, A.; Agostiano, A.; Tommasi, R.; Striccoli, M.

    2008-05-01

    Original nanocomposites have been obtained by direct incorporation of pre-synthesized oleic acid capped TiO2 nanorods into properly functionalized poly(methyl methacrylate) copolymers, carrying carboxylic acid groups on the repeating polymer unit. The presence of carboxylic groups on the alkyl chain of the host functionalized copolymer allows an highly homogeneous dispersion of the nanorods in the organic matrix. The prepared TiO2/PMMA-co-MA nanocomposites show high optical transparency in the visible region, even at high TiO2 nanorod content, and tunable linear refractive index depending on the nanoparticle concentration. Finally measurements of nonlinear optical properties of TiO2 polymer nanocomposites demonstrate a negligible two-photon absorption and a negative value of nonlinear refractive index, highlighting the potential of the nanocomposite for efficient optical devices operating in the visible region.

  4. 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.

  5. Electrochemical properties of TiO2 encapsulated ZnO nanorod aggregates dye sensitized solar cells

    International Nuclear Information System (INIS)

    Justin Raj, C.; Karthick, S.N.; Dennyson Savariraj, A.; Hemalatha, K.V.; Park, Song-Ki; Kim, Hee-Je; Prabakar, K.

    2012-01-01

    Highlights: ► ZnO nanorod aggregates were synthesized by simple co-precipitation technique. ► TiO 2 encapsulated ZnO nanorod aggregates photoanode was used for the DSSC. ► TiO 2 encapsulated ZnO nanorod aggregates shows an enhanced efficiency. ► The electron recombination and transport properties were studied using EIS method. - Abstract: Dye sensitized solar cells based on TiO 2 encapsulated ZnO nanorod (NR) aggregates were fabricated and electrochemical performance was analyzed using impedance spectroscopy as a function of forward bias voltage. Charge transfer properties such as electron life time (τ n ), electron diffusion coefficient (D n ) and electron diffusion length (L n ) were calculated in order to ensure the influence of TiO 2 layer over the ZnO NR aggregates. It is found that the short circuit current density (Jsc = 5.8 mA cm −2 ), open circuit potential (V oc = 0.743 V), fill factor (FF = 0.57) and conversion efficiency are significantly improved by the introduction of TiO 2 layer over ZnO photoanode. A power conversion efficiency of about 2.48% has been achieved for TiO 2 /ZnO cell, which is higher than that of bare ZnO NR aggregate based cells (1.73%). The formation of an inherent energy barrier between TiO 2 and ZnO films and the passivation of surface traps on the ZnO film caused by the introduction of TiO 2 layer increase the dye absorption and favor the electron transport which may be responsible for the enhanced performance of TiO 2 /ZnO cell.

  6. Y-doping TiO2 nanorod arrays for efficient perovskite solar cells

    Science.gov (United States)

    Deng, Xinlian; Wang, Yanqing; Cui, Zhendong; Li, Long; Shi, Chengwu

    2018-05-01

    To improve the electron transportation in TiO2 nanorod arrays and charge separation in the interface of TiO2/perovskite, Y-doping TiO2 nanorod arrays with the length of 200 nm, diameter of 11 nm and areal density of 1050 μm-2 were successfully prepared by the hydrothermal method and the influence of Y/Ti molar ratios of 0%, 3%, 5% in the hydrothermal grown solutions on the growth of TiO2 nanorod arrays was investigated. The results revealed that the appropriate Y/Ti molar ratios can increase the areal density of the corresponding TiO2 nanorod arrays and improve the charge separation in the interface of the TiO2/perovskite. The Y-doping TiO2 nanorod array perovskite solar cells with the Y/Ti molar ratio of 3% exhibited a photoelectric conversion efficiency (PCE) of 18.11% along with an open-circuit voltage (Voc) of 1.06 V, short-circuit photocurrent density (Jsc) of 22.50 mA cm-2 and fill factor (FF) of 76.16%, while the un-doping TiO2 nanorod array perovskite solar cells gave a PCE of 16.42% along with Voc of 1.04 V, Jsc of 21.66 mA cm-2 and FF of 72.97%.

  7. Thiourea-Modified TiO2 Nanorods with Enhanced Photocatalytic Activity

    Directory of Open Access Journals (Sweden)

    Xiaofeng Wu

    2016-02-01

    Full Text Available Semiconductor TiO2 photocatalysis has attracted much attention due to its potential application in solving the problems of environmental pollution. In this paper, thiourea (CH4N2S modified anatase TiO2 nanorods were fabricated by calcination of the mixture of TiO2 nanorods and thiourea at 600 °C for 2 h. It was found that only N element was doped into the lattice of TiO2 nanorods. With increasing the weight ratio of thiourea to TiO2 (R from 0 to 8, the light-harvesting ability of the photocatalyst steady increases. Both the crystallization and photocatalytic activity of TiO2 nanorods increase first and then decrease with increase in R value, and R2 sample showed the highest crystallization and photocatalytic activity in degradation of Brilliant Red X3B (X3B and Rhodamine B (RhB dyes under visible light irradiation (λ > 420 nm. The increased visible-light photocatalytic activity of the prepared N-doped TiO2 nanorods is due to the synergistic effects of the enhanced crystallization, improved light-harvesting ability and reduced recombination rate of photo-generated electron-hole pairs. Note that the enhanced visible photocatalytic activity of N-doped nanorods is not based on the scarification of their UV photocatalytic activity.

  8. Enhanced photoelectrochemical properties of TiO2 nanorod arrays decorated with CdS nanoparticles

    International Nuclear Information System (INIS)

    Xie, Zheng; Wang, Weipeng; Liu, Can; Li, Zhengcao; Liu, Xiangxuan; Zhang, Zhengjun

    2014-01-01

    TiO 2 nanorod arrays (TiO 2 NRAs) sensitized with CdS nanoparticles were fabricated via successive ion layer adsorption and reaction (SILAR), and TiO 2 NRAs were obtained by oxidizing Ti NRAs obtained through oblique angle deposition. The TiO 2 NRAs decorated with CdS nanoparticles exhibited excellent photoelectrochemical and photocatalytic properties under visible light, and the one decorated with 20 SILAR cycles CdS nanoparticles shows the best performance. This can be attributed to the enhanced separation of electrons and holes by forming heterojunctions of CdS nanoparticles and TiO 2 NRAs. This provides a promising way to fabricate the material for solar energy conversion and wastewater degradation. (paper)

  9. Digital selective fabrication of micro/nano-composite structured TiO2 nanorod arrays by laser direct writing

    Science.gov (United States)

    Jiang, Wei; He, Xiaoning; Liu, Hongzhong; Yin, Lei; Shi, Yongsheng; Ding, Yucheng

    2014-11-01

    In this article, we report on the digital selective fabrication of micro/nano-composite structured TiO2 nanorod arrays by laser direct writing. The pattern of TiO2 nanorod arrays can be easily designed and fabricated by laser scanning technology integrated with a computer-aided design system, which allows a high degree of freedom corresponding to the various pattern design demands. The approach basically involves the hydrothermal growth of TiO2 nanorod arrays on a transparent conductive substrate, the micropattern of TiO2 nanorod arrays and surface fluorination treatment. With these micro/nano-composite TiO2 nanorod array based films, we have demonstrated superhydrophilic patterned TiO2 nanorod arrays with rapid water spreading ability and superhydrophobic patterned TiO2 nanorod arrays with an excellent droplet bouncing effect and a good self-cleaning performance. The dynamic behaviours of the water droplets observed on the patterned TiO2 nanorod arrays were demonstrated by experiments and simulated by a finite element method. The approaches we will show are expected to provide potential applications in fields such as self-cleaning, surface protection, anticrawling and microfluidic manipulation.

  10. Synthesis of Fe2O3/TiO2 nanorod-nanotube arrays by filling TiO2 nanotubes with Fe

    International Nuclear Information System (INIS)

    Mohapatra, Susanta K; Banerjee, Subarna; Misra, Mano

    2008-01-01

    Synthesis of hematite (α-Fe 2 O 3 ) nanostructures on a titania (TiO 2 ) nanotubular template is carried out using a pulsed electrodeposition technique. The TiO 2 nanotubes are prepared by the sonoelectrochemical anodization method and are filled with iron (Fe) by pulsed electrodeposition. The Fe/TiO 2 composite is then annealed in an O 2 atmosphere to convert it to Fe 2 O 3 /TiO 2 nanorod-nanotube arrays. The length of the Fe 2 O 3 inside the TiO 2 nanotubes can be tuned from 50 to 550 nm by changing the deposition time. The composite material is characterized by scanning electron microscopy, transmission electron microscopy and diffuse reflectance ultraviolet-visible studies to confirm the formation of one-dimensional Fe 2 O 3 /TiO 2 nanorod-nanotube arrays. The present approach can be used for designing variable one-dimensional metal oxide heterostructures

  11. Photoelectrochemical properties of the TiO2-ZnO nanorod hierarchical structure prepared by hydrothermal process

    Directory of Open Access Journals (Sweden)

    Bao SUN

    2018-02-01

    Full Text Available In order to increase the transport channels of the photogenerated electrons and enhance the photosensitizer loading ability of the electrode, a new TiO2-ZnO nanorod hierarchical structure is prepared through two-step hydrothermal process. First, TiO2 nanorod array is grown on the FTO conductive glass substrate by hydrothermal proess. Then, ZnO sol is coated onto the TiO2 nanorods through dip-coating method and inverted to ZnO seed layer by sintering. Finally, the secondary ZnO nanorods are grown onto the TiO2 nanorods by the sencond hydrothermal method to form the designed TiO2-ZnO nanorod hierarchical structure. A spin-coating assisted successive ionic layer reaction method (SC-SILR is used to deposit the CdS nanocrystals into the TiO2 nanorod array and the TiO2-ZnO nanorod hierarchical structure is used to form the CdS/TiO2 and CdS/TiO2-ZnO nanocomposite films. Different methods, such as SEM, TEM, XRD, UV-Vis and transient photocurrent, are employed to characterize and measure the morphologies, structures, light absorption and photoelectric conversion performance of all the samples, respectively. The results indicate that, compared with the pure TiO2 nanorod array, the TiO2-ZnO nanorod hierarchical structure can load more CdS photosensitizer. The light absorption properties and transient photocurrent performance of the CdS/TiO2-ZnO nanorod hierarchical structure composite film are evidently superior to that of the CdS/TiO2 nanocomposite films. The excellent photoelctrochemical performance of theTiO2-ZnO hierarchical structure reveales its application prospect in photoanode material of the solar cells.

  12. TiO2 Nanorods Decorated with Pd Nanoparticles for Enhanced Liquefied Petroleum Gas Sensing Performance.

    Science.gov (United States)

    Dhawale, Dattatray S; Gujar, Tanaji P; Lokhande, Chandrakant D

    2017-08-15

    Development of highly sensitive and selective semiconductor-based metal oxide sensor devices to detect toxic, explosive, flammable, and pollutant gases is still a challenging research topic. In the present work, we systematically enhanced the liquefied petroleum gas (LPG) sensing performance of chemical bath deposited TiO 2 nanorods by decorating Pd nanoparticle catalyst. Surface morphology with elemental mapping, crystal structure, composition and oxidation states, and surface area measurements of pristine TiO 2 and Pd:TiO 2 nanorods was examined by high resolution transmission electron microscopy with energy-dispersive X-ray spectroscopy, X-ray diffraction, X-ray photoelectron spectroscopy, and nitrogen adsorption-desorption characterization techniques. LPG sensing performance of pristine TiO 2 and Pd:TiO 2 nanorods was investigated in different LPG concentration and operating temperature ranges. The LPG response of 21% for pristine TiO 2 nanorods is enhanced to 49% after Pd catalyst decoration with reasonably fast response and recovery times. Further, the sensor exhibited long-term stability, which could be due to the strong metal support (Pd:TiO 2 ) interaction and catalytic properties offered by the Pd nanoparticle catalyst. The work described herein demonstrates a general and scalable approach that provides a promising route for rational design of variety of sensor devices for LPG detection.

  13. Synthesis and characterization of TiO2/CdS core–shell nanorod arrays and their photoelectrochemical property

    International Nuclear Information System (INIS)

    Cao Chunlan; Hu Chenguo; Shen Weidong; Wang, Shuxia; Tian Yongshu; Wang Xue

    2012-01-01

    Highlights: ► TiO 2 /CdS core–shell nanorod arrays were fabricated by spin-SILAR method. ► The enhanced photocurrent was found in the TiO 2 /CdS core–shell nanorod arrays. ► The CdS coated on TiO 2 increases the e-h separation and enlarges light absorption range. - Abstract: TiO 2 /CdS core–shell nanorod arrays have been fabricated via a two-step method. Vertically aligned TiO 2 nanorod arrays (NRs) were synthesized by a facile hydrothermal method, and followed by depositing CdS nanoparticles on TiO 2 NRs by spin-coating successive ion layer adsorption and reaction (spin-SILAR) method. The surface morphology, structure, optical and photoelectrochemical behaviors of the core–shell NRs films are considered. The UV–vis absorption spectrum results suggested that the absorption peak of the TiO 2 /CdS core–shell NRs shifts from the ultraviolet region to the visible region in comparison to that of the pure TiO 2 NRs. The obviously enhanced photoelectrochemical (PEC) performances of the heterojunction NRs were found under illumination of the simulated sunlight in comparison with that of the TiO 2 NRs. The enhanced PEC performance and formation mechanism of TiO 2 /CdS core–shell NRs were discussed in detail.

  14. Highly piezoelectric BaTiO3 nanorod bundle arrays using epitaxially grown TiO2 nanomaterials

    Science.gov (United States)

    Jang, Seon-Min; Yang, Su Chul

    2018-06-01

    Low-dimensional piezoelectric nanostructures such as nanoparticles, nanotubes, nanowires, nanoribbons and nanosheets have been developed for potential applications as energy harvesters, tunable sensors, functional transducers and low-power actuators. In this study, lead-free BaTiO 3 nanorod bundle arrays (NBA) with highly piezoelectric properties were successfully synthesized on fluorine-doped tin oxide (FTO) substrate via a two-step process consisting of TiO2 epitaxial growth and BaTiO3 conversion. Through the TiO2 epitaxial growth on FTO substrate, (001) oriented TiO2 nanostructures formed vertically-aligned NBA with a bundle diameter of 80 nm and an aspect ratio of six. In particular, chemical etching of the TiO2 NBA was conducted to enlarge the surface area for effective Ba2+ ion diffusion during the perovskite conversion process from TiO2 to BaTiO3. The final structure of perovskite BaTiO3 NBA was found to exhibit a feasible piezoelectric response of 3.56 nm with a clear phase change of 180° from the single BaTiO3 bundle, by point piezoelectric forced microscopy (PFM) analysis. Consequently, highly piezoelectric NBA could be a promising nanostructure for various nanoscale electronic devices.

  15. Highly piezoelectric BaTiO3 nanorod bundle arrays using epitaxially grown TiO2 nanomaterials.

    Science.gov (United States)

    Jang, Seon-Min; Yang, Su Chul

    2018-06-08

    Low-dimensional piezoelectric nanostructures such as nanoparticles, nanotubes, nanowires, nanoribbons and nanosheets have been developed for potential applications as energy harvesters, tunable sensors, functional transducers and low-power actuators. In this study, lead-free BaTiO 3 nanorod bundle arrays (NBA) with highly piezoelectric properties were successfully synthesized on fluorine-doped tin oxide (FTO) substrate via a two-step process consisting of TiO 2 epitaxial growth and BaTiO 3 conversion. Through the TiO 2 epitaxial growth on FTO substrate, (001) oriented TiO 2 nanostructures formed vertically-aligned NBA with a bundle diameter of 80 nm and an aspect ratio of six. In particular, chemical etching of the TiO 2 NBA was conducted to enlarge the surface area for effective Ba 2+ ion diffusion during the perovskite conversion process from TiO 2 to BaTiO 3 . The final structure of perovskite BaTiO 3 NBA was found to exhibit a feasible piezoelectric response of 3.56 nm with a clear phase change of 180° from the single BaTiO 3 bundle, by point piezoelectric forced microscopy (PFM) analysis. Consequently, highly piezoelectric NBA could be a promising nanostructure for various nanoscale electronic devices.

  16. Functionalized TiO2 nanoparticle containing isocyanate groups

    International Nuclear Information System (INIS)

    Ou, Baoli; Li, Duxin; Liu, Qingquan; Zhou, Zhihua; Liao, Bo

    2012-01-01

    Functionalized TiO 2 nanoparticle containing isocyanate groups can extend the TiO 2 nanoparticle chemistry, and may promote their many potential applications such as in polymer composites and coatings. This paper describes a facile method to prepare functionalized TiO 2 nanoparticle with highly reactive isocyanate groups on its surface, via the reaction between toluene-2, 4-diisocyanate (TDI) and hydroxyl on TiO 2 nanoparticle surface. The main effect factors on the reaction of TiO 2 with TDI were studied by determining the reaction extent of hydroxyl groups on TiO 2 surface. Fourier-transformed infrared spectroscopy (FTIR) and thermogravimetric analysis (TGA) confirmed that reactive isocyanate groups were covalently attached to the TiO 2 nanoparticle surface. The dispersion of the TDI-functionalized TiO 2 nanoparticle was studied by transmission electron microscopy (TEM). Owing to the TDI molecules covalently bonded on TiO 2 nanoparticle surface, it was established that the TiO 2 nanoparticle can be uniformly dispersed in toluene, thus indicating that this functionalization method can prevent TiO 2 nanoparticle from agglomerating. -- Highlights: ► TiO 2 nanoparticle was functionalized with toluene-2, 4-diisocyanate. ► Functionalized TiO 2 nanoparticle can be uniformly dispersed in xylene. ► Compatibility of TiO 2 nanoparticle and organic solvent is significantly improved. ► TiO 2 containing isocyanate groups can extend the TiO 2 nanoparticle chemistry.

  17. Rutile TiO2 nanorod arrays directly grown on Ti foil substrates towards lithium-ion micro-batteries

    International Nuclear Information System (INIS)

    Dong Shanmu; Wang Haibo; Gu Lin; Zhou Xinhong; Liu Zhihong; Han Pengxian; Wang Ya; Chen Xiao; Cui Guanglei; Chen Liquan

    2011-01-01

    Nanosized rutile TiO 2 is one of the most promising candidates for anode material in lithium-ion micro-batteries owing to their smaller dimension in ab-plane resulting in an enhanced performance for area capacity. However, few reports have yet emerged up to date of rutile TiO 2 nanorod arrays growing along c-axis for Li-ion battery electrode application. In this study, single-crystalline rutile TiO 2 nanorod arrays growing directly on Ti foil substrates have been fabricated using a template-free method. These nanorods can significantly improve the electrochemical performance of rutile TiO 2 in Li-ion batteries. The capacity increase is about 10 times in comparison with rutile TiO 2 compact layer.

  18. Chemical synthesis of CdS onto TiO2 nanorods for quantum dot sensitized solar cells

    Science.gov (United States)

    Pawar, Sachin A.; Patil, Dipali S.; Lokhande, Abhishek C.; Gang, Myeng Gil; Shin, Jae Cheol; Patil, Pramod S.; Kim, Jin Hyeok

    2016-08-01

    A quantum dot sensitized solar cell (QDSSC) is fabricated using hydrothermally grown TiO2 nanorods and successive ionic layer adsorption and reaction (SILAR) deposited CdS. Surface morphology of the TiO2 films coated with different SILAR cycles of CdS is examined by Scanning Electron Microscopy which revealed aggregated CdS QDs coverage grow on increasing onto the TiO2 nanorods with respect to cycle number. Under AM 1.5G illumination, we found the TiO2/CdS QDSSC photoelectrode shows a power conversion efficiency of 1.75%, in an aqueous polysulfide electrolyte with short-circuit photocurrent density of 4.04 mA/cm2 which is higher than that of a bare TiO2 nanorods array.

  19. Influence of Zr doping on structure and morphology of TiO2 nanorods prepared using hydrothermal method

    Science.gov (United States)

    Muslimin, Masliana; Jumali, Mohammad Hafizuddin; Tee, Tan Sin; Beng, Lee Hock; Hui, Tan Chun; Chin, Yap Chi

    2018-04-01

    The aim of this work is to investigate the effect of Zr doping on TiO2 nanostructure. TiO2 nanorods thin films with different Zr-doping concentrations (6 × 10-3 M, 13 × 10-3 M and 25 × 10-3 M) were successfully prepared using a simple hydrothermal method. The structural and morphological properties of the samples were evaluated using XRD and FESEM respectively. The XRD results revealed that the TiO2 in all samples stabilized as rutile phase. The FESEM micrographs confirmed that TiO2 exist as square like nanorods with blunt tips. Although the crystallographic nature remains unchanged, the introduction of Zr has altered the surface density, structure and morphology of TiO2 which subsequently will have significant effect on its properties.

  20. Template-free formation of vertically oriented TiO2 nanorods with uniform distribution for organics-sensing application

    International Nuclear Information System (INIS)

    Mu Qinghui; Li Yaogang; Zhang Qinghong; Wang Hongzhi

    2011-01-01

    Graphical abstract: - Abstract: High-density arrays of vertically oriented TiO 2 nanorods with uniform distribution on Ti foil have been formed through template-free oxidation of Ti in hydrogen peroxide solutions. Subsequent thermal treatment was applied for growing mixed crystal structures to pursue higher performance. Morphology characterization using field emission scanning electron microscopy (FESEM) shows a nanorod diameter in the range of 20-50 nm with a length of 1.5 μm. X-ray diffraction (XRD) measurement demonstrates the crystallization of the TiO 2 nanorods prior to thermal treatment and the formation of anatase and rutile mixed phase after thermal treatment. The mixed crystal TiO 2 nanorods show a much higher performance than pure anatase in photoelectrochemical experiments. Steady-state photocurrent resulted from photocatalytic oxidation of organic compounds by TiO 2 nanorods is employed as response signal in determination of the organics to yield a linear range of 0-1.1 mM for glucose. For other organics, an excellent linear relationship between the net steady-state photocurrent and the concentration of electrons transferred in exhaustive oxidation for these organics is obtained, which empowers the mixed crystal TiO 2 nanorods to serve as versatile material in organics-sensing application.

  1. Superior environment resistance of quartz crystal microbalance with anatase TiO2/ZnO nanorod composite films

    International Nuclear Information System (INIS)

    Qiang, Wei; Wei, Li; Shaodan, Wang; Yu, Bai

    2015-01-01

    Graphical abstract: ZnO nanorod array being prepared by an in situ method on the QCM coated with Au film via hydrothermal process and surface modification with coated TiO 2 by sol–gel methods to form a superhydrophobic TiO 2 /ZnO composite film the anatase TiO 2 /ZnO nanorod composite film with a sharp, pencil-like structure exhibiting excellent superhydrophobicity (water contact angle of 155°), non-sticking water properties, and an autonomous cleaning property under UV irradiation. The anatase TiO 2 /ZnO nanorod composite film facilitates the precise measurement and extended lifetime of the QCM for the detection of organic gas molecules. - Highlights: • This work combines, for the first time, the advantage of the TiO 2 /ZnO composite film on photocatalysis and reversible super-hydrophobic and super-hydrophilic transition, and puts forward a solution to satisfy weatherability of quartz crystal microbalance in long-term application. • The anatase TiO 2 /ZnO nanorod composite film with pencil structure exhibit excellent super-hydrophobicity (water contact angle can reach 155°), no-sticking water properties and self-cleaning property under UV irradiation. • The photocatalysis and reversible super-hydrophobic and super-hydrophilic transition of the TiO 2 /ZnO nanorod composite film is stable in long-term application. - Abstract: The precise measurement of quartz crystal microbalance (QCM) in the detection and weighing of organic gas molecules is achieved due to excellent superhydrophobicity of a deposited film composite. Photocatalysis is utilized as a method for the self-cleaning of organic molecules on the QCM for extended long-term stability in the precision of the instrument. In this paper, ZnO nanorod array is prepared via in situ methods on the QCM coated with Au film via hydrothermal process. Subsequently, a TiO 2 /ZnO composite film is synthesized by surface modification with TiO 2 via sol–gel methods. Results show the anatase TiO 2 /ZnO nanorod

  2. Synthesis of TiO2 nanorod-decorated graphene sheets and their highly efficient photocatalytic activities under visible-light irradiation

    International Nuclear Information System (INIS)

    Lee, Eunwoo; Hong, Jin-Yong; Kang, Haeyoung; Jang, Jyongsik

    2012-01-01

    Highlights: ► TiO 2 nanorods were successfully decorated on the surface of graphene sheets. ► Population of TiO 2 nanorods can be controlled by changing experimental conditions. ► TiO 2 nanorod-decorated graphene sheets have an expanded light absorption range. ► TiO 2 nanorod-decorated graphene sheets showed unprecedented photocatalytic activity. - Abstract: The titanium dioxide (TiO 2 ) nanorod-decorated graphene sheets photocatalysts with different TiO 2 nanorods population have been synthesized by a simple non-hydrolytic sol–gel approach. Electron microscopy and X-ray diffraction analysis indicated that the TiO 2 nanorods are well-dispersed and successfully anchored on the graphene sheet surface through the formation of covalent bonds between Ti and C atoms. The photocatalytic activities are evaluated in terms of the efficiencies of photodecomposition and adsorption of methylene blue (MB) in aqueous solution under visible-light irradiation. The as-synthesized TiO 2 nanorod-decorated graphene sheets showed unprecedented photodecomposition efficiency compared to the pristine TiO 2 nanorods and the commercial TiO 2 (P-25, Degussa) under visible-light. It is believed that this predominant photocatalytic activity is due to the synergistic contribution of both a retarded charge recombination rate caused by a high electronic mobility of graphene and an increased surface area originated from nanometer-sized TiO 2 nanorods. Furthermore, photoelectrochemical study is performed to give deep insights into the primary roles of graphene that determines the photocatalytic activity.

  3. Vertically aligned TiO2 nanorods-woven carbon fiber for reinforcement of both mechanical and anti-wear properties in resin composite

    Science.gov (United States)

    Fei, Jie; Zhang, Chao; Luo, Dan; Cui, Yali; Li, Hejun; Lu, Zhaoqing; Huang, Jianfeng

    2018-03-01

    A series of TiO2 nanorods were successfully grown on woven carbon fiber by hydrothermal method to reinforce the resin composite. The TiO2 nanorods improved the mechanical interlocking among woven carbon fibers and resin matrix, resulting in better fibers/resin interfacial bonding. Compared with desized-woven carbon fiber, the uniform TiO2 nanorods array resulted in an improvement of 84.3% and 73.9% in the tensile and flexural strength of the composite. However, the disorderly TiO2 nanorods on woven carbon fiber leaded to an insignificant promotion of the mechanical strength. The enhanced performance of well-proportioned TiO2 nanorods-woven carbon fiber was also reflected in the nearly 56% decrease of wear rate, comparing to traditional woven carbon fiber reinforced composite.

  4. Enhancement of Perovskite Solar Cells Efficiency using N-Doped TiO2 Nanorod Arrays as Electron Transfer Layer.

    Science.gov (United States)

    Zhang, Zhen-Long; Li, Jun-Feng; Wang, Xiao-Li; Qin, Jian-Qiang; Shi, Wen-Jia; Liu, Yue-Feng; Gao, Hui-Ping; Mao, Yan-Li

    2017-12-01

    In this paper, N-doped TiO 2 (N-TiO 2 ) nanorod arrays were synthesized with hydrothermal method, and perovskite solar cells were fabricated using them as electron transfer layer. The solar cell performance was optimized by changing the N doping contents. The power conversion efficiency of solar cells based on N-TiO 2 with the N doping content of 1% (N/Ti, atomic ratio) has been achieved 11.1%, which was 14.7% higher than that of solar cells based on un-doped TiO 2 . To get an insight into the improvement, some investigations were performed. The structure was examined with X-ray powder diffraction (XRD), and morphology was examined by scanning electron microscopy (SEM). Energy dispersive spectrometer (EDS) and Tauc plot spectra indicated the incorporation of N in TiO 2 nanorods. Absorption spectra showed higher absorption of visible light for N-TiO 2 than un-doped TiO 2 . The N doping reduced the energy band gap from 3.03 to 2.74 eV. The photoluminescence (PL) and time-resolved photoluminescence (TRPL) spectra displayed the faster electron transfer from perovskite layer to N-TiO 2 than to un-doped TiO 2 . Electrochemical impedance spectroscopy (EIS) showed the smaller resistance of device based on N-TiO 2 than that on un-doped TiO 2 .

  5. Visible Light Photoelectrochemical Properties of N-Doped TiO2 Nanorod Arrays from TiN

    Directory of Open Access Journals (Sweden)

    Zheng Xie

    2013-01-01

    Full Text Available N-doped TiO2 nanorod arrays (NRAs were prepared by annealing the TiN nanorod arrays (NRAs which were deposited by using oblique angle deposition (OAD technique. The TiN NRAs were annealed at 330°C for different times (5, 15, 30, 60, and 120 min. The band gaps of annealed TiN NRAs (i.e., N-doped TiO2 NRAs show a significant variance with annealing time, and can be controlled readily by varying annealing time. All of the N-doped TiO2 NRAs exhibit an enhancement in photocurrent intensity in visible light compared with that of pure TiO2 and TiN, and the one annealed for 15 min shows the maximum photocurrent intensity owning to the optimal N dopant concentration. The results show that the N-doped TiO2 NRAs, of which the band gap can be tuned easily, are a very promising material for application in photocatalysis.

  6. Adsorption of carbon dioxide on TEPA-modified TiO_2/titanate composite nano-rods

    International Nuclear Information System (INIS)

    Kapica-Kozar, Joanna; Michalkiewicz, Beata; Wrobel, Rafal J.; Mozia, Sylwia; Pirog, Ewa; Usiak-Nejman, Ewelina K.; Serafin, Jaroslaw; Morawski, Antoni W.; Narkiewicz, Urszula

    2017-01-01

    A titanate-TiO_2 composite was obtained through hydrothermal treatment of TiO_2 in KOH solution. The presence of a titanate phase was confirmed by X-ray diffraction (XRD), whereas scanning electron microscopy (SEM) measurements showed the porous nano-rod structure of the material. The obtained nano-rods were treated with tetra-ethylene-pentamine (TEPA). Such synthesized sorbents were applied for CO_2 removal. The CO_2 capacity under a pressure of 1 bar and at 80 C was 0.47, 0.34, and 3.11 mmol.g"-"1 for the starting TiO_2, the titanate-TiO_2 composite and the TEPA-titanate-TiO_2 composite (27.4 wt% of TEPA), respectively. The experimental isotherms of CO_2 were analysed using the Langmuir, Freundlich, Sips, Toth, Unilan, Redlich-Peterson, Radke-Prausnitz, Dubinin-Radushkevich, Temkin and Pyzhev, and Jovanovich models. The error sums of squares (SSR) function was used to test the fit of the models. The analysis revealed that the Sips isotherm is the best-fitting model for the CO_2 adsorption on the starting TiO_2, whereas the Freundlich equation should be used to describe the CO_2 adsorption isotherm on the titanate-TiO_2 composite. The CO_2 adsorption on the TEPA-modified sorbents was proposed to be described using the Sips isotherm for physical sorption and the modified Sips model for chemical sorption. The calculated isosteric heat of adsorption was found to be E46 kJ mol"-"1, which is about two times higher than the heat of CO_2 absorption in liquid TEPA reported in the literature (i.e. E85 kJ.mol"-"1). Therefore, it was concluded that the TEPA-titanate-TiO_2 composite is an attractive alternative for liquid amines due to the lower energy of regeneration in the sorption-desorption process. The material was proved to be stable during multiple sorption-desorption cycles. Moreover, its thermal stability up to 150 C was confirmed by thermogravimetric analysis (TGA). All these features make it a promising alternative for sorbents based on liquid amines. (authors)

  7. Fabrication of TiO2 nanoparticles/nanorod composite arrays via a two-step method for efficient dye-sensitized solar cells

    Directory of Open Access Journals (Sweden)

    Jingyang Wang

    2014-12-01

    Full Text Available TiO2 nanoparticles/nanorod composite arrays were prepared on the F-doped tin oxide (FTO substrate through a two-step method of hydrothermal and d.c. magnetron sputtering. The microstructure and optical properties of the samples were characterized respectively by means of X-ray diffraction (XRD, field-emission scanning electron microscopy (FESEM and UV–vis spectrometer. The results showed that the TiO2 composite nanorod arrays possess the nature of high surface area for more dye molecule absorption and the strong light scattering effects. The dye sensitized solar cells (DSSCs based on TiO2 composite nanorod arrays exhibited a 80% improvement in the overall energy conversion efficiency compared with the pure TiO2 nanorod arrays photoanode.

  8. Controllable hydrothermal synthesis of rutile TiO2 hollow nanorod arrays on TiCl4 pretreated Ti foil for DSSC application

    International Nuclear Information System (INIS)

    Xi, Min; Zhang, Yulan; Long, Lizhen; Li, Xinjun

    2014-01-01

    Rutile TiO 2 nanorod arrays (TNRs) were achieved by hydrothermal process on TiCl 4 pretreated Ti foil. Subsequently, TNRs were hydrothermally etched in HCl solution to form hollow TiO 2 nanorod arrays (H-TNRs). The TiCl 4 pretreatment plays key roles in enhancement of Ti foil corrosion resistance ability and crystal nucleation introduction for TNRs growth. TNRs with desired morphology can be obtained by controlling TiCl 4 concentration and the amount of tetrabutyl titanate (TTB) accordingly. TNRs with the length of ∼1.5 μm and diameter of ∼200 nm, obtained on 0.15 M TiCl 4 pretreated Ti foil with 0.6 mL TTB, exhibits relatively higher photocurrent. The increased pore volume of the H-TNRs has contributed to the increased surface area which is benefit for Dye-Sensitized Solar Cells (DSSC) application. And the 180 °C-H-TNRs photoanode obtained from the 0.15-TiCl 4 -TNRs sample demonstrated 128.9% enhancement of photoelectric efficiency of DSSC compared to that of the original TNR photoanode. - Graphical abstract: Rutile hollow TiO 2 nanorod array photoanode obtained from original TiO 2 nanorod array photoanode by hydrothermal etching demonstrates enhanced photoelectric efficiency of DSSC. - Highlights: • TiO 2 nanorods are prepared via hydrothermal process on TiCl 4 -pretreated Ti foil. • Hollow TiO 2 nanorods are obtained by hydrothermal etching of TiO 2 nanorods. • TiCl 4 pretreatment plays a key role in protecting Ti foil from chemical corrosion. • Hollow TiO 2 nanorods photoanode shows enhanced photoelectric efficiency for DSSC

  9. Annealing Effect on Photovoltaic Performance of CdSe Quantum-Dots-Sensitized TiO2 Nanorod Solar Cells

    Directory of Open Access Journals (Sweden)

    Yitan Li

    2012-01-01

    Full Text Available Large area rutile TiO2 nanorod arrays were grown on F:SnO2 (FTO conductive glass using a hydrothermal method at low temperature. CdSe quantum dots (QDs were deposited onto single-crystalline TiO2 nanorod arrays by a chemical bath deposition (CBD method to make a photoelectrode. The solar cell was assembled using a CdSe-TiO2 nanostructure as the photoanode and polysulfide solution as the electrolyte. The annealing effect on optical and photovoltaic properties of CdSe quantum-dots-sensitized TiO2 nanorod solar cells was studied systematically. A significant change of the morphology and a regular red shift of band gap of CdSe nanoparticles were observed after annealing treatment. At the same time, an improved photovoltaic performance was obtained for quantum-dots-sensitized solar cell using the annealed CdSe-TiO2 nanostructure electrode. The power conversion efficiency improved from 0.59% to 1.45% as a consequence of the annealing effect. This improvement can be explained by considering the changes in the morphology, the crystalline quality, and the optical properties caused by annealing treatment.

  10. Enhanced visible light photocatalytic properties of Fe-doped TiO2 nanorod clusters and monodispersed nanoparticles

    International Nuclear Information System (INIS)

    Liu, Y.; Wei, J.H.; Xiong, R.; Pan, C.X.; Shi, J.

    2011-01-01

    In order to get photocatalysts with desired morphologies and enhanced visible light responses, the Fe-doped TiO 2 nanorod clusters and monodispersed nanoparticles were prepared by modified hydrothermal and solvothermal method, respectively. The microstructures and morphologies of TiO 2 crystals can be controlled by restraining the hydrolytic reaction rates. The Fe-doped photocatalysts were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), UV-vis absorption spectroscopy (UV-vis), N 2 adsorption-desorption measurement (BET), and photoluminescence spectroscopy (PL). The refinements of the microstructures and morphologies result in the enhancement of the specific surface areas. The Fe 3+ -dopants in TiO 2 lattices not only lead to the significantly extending of the optical responses from UV to visible region but also diminish the recombination rates of the electrons and holes. The photocatalytic activities were evaluated by photocatalytic decomposition of formaldehyde in air under visible light illumination. Compared with P25 (TiO 2 ) and N-doped TiO 2 nanoparticles, the Fe-doped photocatalysts show high photocatalytic activities under visible light.

  11. Fabrication of TiO_2 nanorod assembly grafted rGO (rGO@TiO_2-NR) hybridized flake-like photocatalyst

    International Nuclear Information System (INIS)

    Lv, Kangle; Fang, Shun; Si, Lingling; Xia, Yang; Ho, Wingkei; Li, Mei

    2017-01-01

    Highlights: • TiO_2 nanorod assembly grafted with GO hybrid was successfully fabricated. • TiO_2 nanorods can reduce the aggregation of TiO_2 nanoparticles on graphene. • This unique structure facilitates the injection of electron from TiO_2 to graphene. - Abstract: To efficiently separate the photo-generated electron–hole pairs of TiO_2 hybrid, anatase TiO_2 nanorod assembly grafted reduced graphene oxides (rGO@TiO_2-NR) hybrid was successfully fabricated using potassium titanium oxalate (PTO) and graphene oxides (GO) as starting materials and diethylene glycol (DEG) as reductant. The effect of GO content on the structure and photocatalytic activity of rGO@TiO_2-NR composite was systematically studied. Results show that, in the absence of GO, only TiO_2 microsphere assembly is obtained from TiO_2 nanorods. The presence of GO results in the formation of a flake-like TiO_2-nanorod-assembled grafted rGO hybrid. The photocatalytic activity of rGO@TiO_2-NR composite increases first and then decreases with increase in the amount of GO from 0 wt.% to 10 wt.%. The hybridized S4 sample prepared with 4 wt.% GO possesses the highest photocatalytic activity with a constant rate of 0.039 min"−"1 in the photocataytic degradation of Brilliant X-3B dye (X3B); this sample was enhanced more than three times when compared with pure TiO_2 sample (0.012 min"−"1). The enhanced photocatalytic activity of the rGO@TiO_2-NR hybrid was attributed to the strong interaction between TiO_2 nanorods and rGO. The unique hierarchical structure of 1D nanorod assembly TiO_2–rGO flakes facilitates the injection and transfer of photo-generated electrons from TiO_2 to graphene, thus retarding the recombination of electron–hole pairs and enhancing the photocatalytic activity. The enlarged BET surface areas, not only increasing the number of active sites, but also facilitating the adsorption of the dye, and improved light-harvesting ability also contribute to the enhanced photoreactivity

  12. Simply synthesized TiO2 nanorods as an effective scattering layer for quantum dot sensitized solar cells

    International Nuclear Information System (INIS)

    Samadpour, Mahmoud; Zad, Azam Iraji; Molaei, Mehdi

    2014-01-01

    TiO 2 nanorod layers are synthesized by simple chemical oxidation of Ti substrates. Diffuse reflectance spectroscopy measurements show effective light scattering properties originating from nanorods with length scales on the order of one micron. The films are sensitized with CdSe quantum dots (QDs) by successive ionic layer adsorption and reaction (SILAR) and integrated as a photoanode in quantum dot sensitized solar cells (QDSCs). Incorporating nanorods in photoanode structures provided 4- to 8-fold enhancement in light scattering, which leads to a high power conversion efficiency, 3.03% (V oc = 497 mV, J sc = 11.32 mA/cm 2 , FF = 0.54), in optimized structures. High efficiency can be obtained just by tuning the photoanode structure without further treatments, which will make this system a promising nanostructure for efficient quantum dot sensitized solar cells. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  13. Fabrication of TiO2-Reduced Graphene Oxide Nanorod Composition Spreads Using Combinatorial Hydrothermal Synthesis and Their Photocatalytic and Photoelectrochemical Applications.

    Science.gov (United States)

    Lu, Wen-Chung; Tseng, Li-Chun; Chang, Kao-Shuo

    2017-09-11

    This study is the first to employ combinatorial hydrothermal synthesis and facile spin-coating technology to fabricate TiO 2 -reduced graphene oxide (rGO) nanorod composition spreads. The features of this study are (1) the development of a self-designed spin-coating wedge, (2) the systemic investigation of the structure-property relationship of the system, (3) the high-throughput screening of the optimal ratio from a wide range of compositions for photocatalytic and photoelectrochemical (PEC) applications, and (4) the effective coupling between the density gradient TiO 2 nanorod array and the thickness gradient rGO. The formation of rGO in the fabricated TiO 2 -rGO sample was monitored through Fourier transform infrared spectrometry. Transmission electron microscopy images also suggested that the TiO 2 nanorod surfaces were covered with a thin layer of amorphous rGO. The rutile TiO 2 plane evolution along the composition variation was verified through X-ray diffraction. 7% TiO 2 -93% rGO on the nanorod composition spread exhibited the most promising photocatalytic ability; the corresponding photodegradation kinetics, denoted by the photodegradation rate constant (k), was determined to be approximately 12.7 × 10 -3 min -1 . The excellent performance was attributed to the effective coupling between the TiO 2 and rGO, which improved the charge carrier transport, thus inhibiting electron-hole pair recombination. A cycling test implied that 7% TiO 2 -93% rGO is a reliable photocatalyst. A photoluminescence spectroscopy study also supported the superior photocatalytic ability of the sample, which was attributed to its markedly poorer recombination behavior. In addition, without further treatment, the sample exhibited excellent PEC stability; the photocurrent density was more than three times higher than that exhibited by the density gradient TiO 2 nanorods.

  14. Improving the Efficiency of Dye-Sensitized Solar Cells by Growing Longer ZnO Nanorods on TiO2 Photoanodes

    Directory of Open Access Journals (Sweden)

    Bao-gai Zhai

    2017-01-01

    Full Text Available By increasing the temperature of hydrothermal reactions from 70 to 100°C, vertically aligned ZnO nanorods were grown on the TiO2 thin film in the photoanode of dye-sensitized solar cells (DSSCs as the blocking layer to reduce the electron back recombinations at the TiO2/electrolyte interfaces. The length effects of ZnO nanorods on the photovoltaic performances of TiO2 based DSSCs were investigated by means of scanning electron microscope, X-ray diffractometer, photoluminescence spectrophotometer, and the photocurrent-voltage measurement. Under the illumination of 100 mW/cm2, the power conversion efficiency of DSSC with ZnO nanorods decorated TiO2 thin film as its photoanode can be increased nearly fourfold from 0.27% to 1.30% as the length of ZnO nanorods increases from 300 to 1600 nm. The enhanced efficiency of DSSC with ZnO nanorods decorated TiO2 thin film as the photoanode can be attributed to the larger surface area and the lower defect density in longer ZnO nanorods, which are in favor of more dye adsorption and more efficient transport in the photoanode.

  15. Enhanced supercapacitor performance using hierarchical TiO2 nanorod/Co(OH)2 nanowall array electrodes

    International Nuclear Information System (INIS)

    Ramadoss, Ananthakumar; Kim, Sang Jae

    2014-01-01

    Graphical abstract: - Highlights: • TiO 2 /Co(OH) 2 hierarchical nanostructure was prepared by a combination of hydrothermal and cathodic electrodeposition method. • Hierarchical nanostructure electrode exhibited a maximum capacitance of 274.3 mF cm −2 at a scan rate of 5 mV s −1 . • Combination of Co(OH) 2 nanowall with TiO 2 NR into a single system enhanced the electrochemical behavior of supercapacitor electrode. - Abstract: We report novel hierarchical TiO 2 nanorod (NR)/porous Co(OH) 2 nanowall array electrodes for high-performance supercapacitors fabricated using a two-step process that involves hydrothermal and electrodeposition techniques. Field-emission scanning electron microscope images reveal a bilayer structure consisting of TiO 2 NR arrays with porous Co(OH) 2 nanowalls. Compared with the bare TiO 2 NRs, the hierarchical TiO 2 NRs/Co(OH) 2 electrodes showed improved pseudocapacitive performance in a 2-M KOH electrolyte solution, exhibiting an areal specific capacitance of 274.3 mF cm −2 at a scan rate of 5 mV s −1 . The electrodes exhibited good stability, retaining 82.5% of the initial capacitance after 4000 cycles. The good pseudocapacitive performance of the hierarchical nanostructures is mainly due to the porous structure, which provides fast ion and electron transfer, a large surface area, short ion diffusion paths, and a favourable volume change during the cycling process

  16. Rapid thermal melted TiO2 nano-particles into ZnO nano-rod and its application for dye sensitized solar cells

    International Nuclear Information System (INIS)

    Chao, Ching-Hsun; Chang, Chi-Lung; Chan, Chien-Hung; Lien, Shui-Yang; Weng, Ko-Wei; Yao, Kuo-Shan

    2010-01-01

    TiO 2 nano-particles with an anchored ZnO nano-rod structure were synthesized using the hydrothermal method to grow ZnO nano-rods and coated TiO 2 nano-particles on ZnO nano-rods using the rapid thermal annealing method on ITO conducting glass pre-coated with nano porous TiO 2 film. The XRD study showed that there was little difference in crystal composition for various types of TiO 2 nano-particles anchored to ZnO nano-rods. The as-prepared architecture was characterized using field-emission scanning electron microscopy (FE-SEM). Films with TiO 2 nano-particles anchored to ZnO nano-rods were used as electrode materials to fabricate dye sensitized solar cells (DSSCs). The best solar energy conversion efficiency of 2.397% was obtained by modified electrode material, under AM 1.5 illumination, achieved up to J sc = 15.382 mA/cm 2 , V oc = 0.479 V and fill factor = 32.8%.

  17. Pr3+ doped biphasic TiO2 (rutile-brookite) nanorod arrays grown on activated carbon fibers: Hydrothermal synthesis and photocatalytic properties

    Science.gov (United States)

    Li, Min; Zhang, Xiaomei; Liu, Ying; Yang, Yi

    2018-05-01

    Praseodymium-doped biphasic TiO2 (rutile-brookite) nanorod arrays (Pr-TiO2 NRAs) were successfully prepared via a two-step hydrothermal reaction on activated carbon fibers (ACFs) which pre-coated with TiO2 nanoparticles at first step. The bicrystalline arrays grown on ACFs are primarily constructed by the well-aligned TiO2 nanorods growing along [0 0 1] direction, which were indicated by the results of SEM and XRD. The nanorods are uniform in diameter and length with about 250 nm and 2.5 μm. The composite photocatalyst with high specific surface area and well-aligned nanostructure are beneficial to enhance the adsorption capacity and even help to suppress electron-hole recombination effectively, which consequently revealed much better (2 times) catalytic performance than that of commercially available P25 TiO2 on methylene blue(MB) photodegradation. In addition, the existence of praseodymium in TiO2 gives rise to shift of absorption edge towards long wavelength, which was indicated by the results of UV-vis DRS. Photodegradation results reveal that Pr-doping significantly improves the activity of TiO2, which was 20% higher than that of undoped TiO2 NRAs for the photodegradation of MB in aqueous medium under visible light irradiation. Meanwhile, the doped amount of Pr had a tiny influence on the photocatalytic performance of the composites. In our experiment, 3% Pr-doped molar concentration was proven to be the relatively optimal dopant concentration for the doping of TiO2 NRAs. Moreover, the photocatalyst grown on ACFs substrates is favorable to reuse and photodegradation rate kept on 76% even after 4 times of reuse.

  18. Sn4+-Doped TiO2 Nanorod Array Film with Enhanced Visible Light ...

    Indian Academy of Sciences (India)

    61

    specific surface area of flat film than nano-powder would lead to the decrease of its .... doped TiO2 NAFs were acquired with EDS spectrometer fitted on the microscopy. ... The morphologies of films were obtained by the SEM measurement.

  19. Short-length and high-density TiO2 nanorod arrays for the efficient charge separation interface in perovskite solar cells

    International Nuclear Information System (INIS)

    Xiao, Guannan; Shi, Chengwu; Zhang, Zhengguo; Li, Nannan; Li, Long

    2017-01-01

    The TiO 2 nanorod arrays with the length of 70 nm, the diameter of 20 nm, and the areal density of 1000 µm −2 were firstly prepared by the hydrothermal method using the aqueous grown solution of 38 mM titanium isopropoxide and 6 M hydrochloric acid at 170 °C for 60 min. Over-500 nm-thickness CH 3 NH 3 PbI 3−x Br x absorber layers were successfully obtained by sequential deposition routes using 1.7 M PbI 2 ·DMSO complex precursor solution and 0.465 M isopropanol solution of the methylammonium halide mixture with the molar ratio of CH 3 NH 3 I/CH 3 NH 3 Br=85/15. The perovskite solar cells based on the TiO 2 nanorod array and 560 nm-thickness CH 3 NH 3 PbI 3−x Br x absorber layer exhibited the best photoelectric conversion efficiency (PCE) of 15.93%, while the corresponding planar perovskite solar cells without the TiO 2 nanorod array and with 530 nm-thickness CH 3 NH 3 PbI 3−x Br x absorber layer gave the best PCE of 12.82% at the relative humidity of 50–54%. - Graphical abstract: The TiO 2 nanorod arrays with the length of 70 nm, the diameter of 20 nm, and the areal density of 1000 µm −2 were prepared by the hydrothermal method using the aqueous grown solution of 38 mM titanium isopropoxide and 6 M hydrochloric acid at 170 °C for 60 min. The optimal annealing temperature of TiO 2 nanorod arrays was 450 °C. The perovskite solar cells based on the TiO 2 nanorod array and 560 nm-thickness CH 3 NH 3 PbI 3−x Br x absorber layer exhibited the best photoelectric conversion efficiency (PCE) of 15.93% and the average PCE of 13.41±2.52%, while the corresponding planar perovskite solar cells without the TiO 2 nanorod array and with 530 nm-thickness CH 3 NH 3 PbI 3−x Br x absorber layer gave the best PCE of 12.82% and the average PCE of 10.54±2.28% at the relative humidity of 50–54%. - Highlights: • Preparation of TiO 2 nanorod array with length of 70 nm and density of 1000 µm −2 . • Influence of annealing temperatures on the -OH content of Ti

  20. Optimization of charge transfer and transport processes at the CdSe quantum dots/TiO2 nanorod interface by TiO2 interlayer passivation

    International Nuclear Information System (INIS)

    Jaramillo-Quintero, O A; Rincon, M E; Triana, M A

    2017-01-01

    Surface trap states hinder charge transfer and transport properties in TiO 2 nanorods (NRs), limiting its application on optoelectronic devices. Here, we study the interfacial processes between rutile TiO 2 NR and CdSe quantum dots (QDs) using TiO 2 interlayer passivation treatments. Anatase or rutile TiO 2 thin layers were deposited on an NR surface by two wet-chemical deposition treatments. Reduced interfacial charge recombination between NRs and CdSe QDs was observed by electrochemical impedance spectroscopy with the introduction of TiO 2 thin film interlayers compared to bare TiO 2 NRs. These results can be ascribed to in-gap trap state passivation of the TiO 2 NR surface, which led to an increase in open circuit voltage. Moreover, the rutile thin layer was more efficient than anatase to promote a higher photo-excited electron transfer from CdSe QDs to TiO 2 NRs due to a large driving force for charge injection, as confirmed by surface photovoltage spectroscopy. (paper)

  1. Enhanced photoelectrochemical and photocatalytic behaviors of MFe2O4 (M = Ni, Co, Zn and Sr) modified TiO2 nanorod arrays

    Science.gov (United States)

    Gao, Xin; Liu, Xiangxuan; Zhu, Zuoming; Wang, Xuanjun; Xie, Zheng

    2016-07-01

    Modified TiO2 nanomaterials are considered to be promising in energy conversion and ferrites modification may be one of the most efficient modifications. In this research, various ferrites, incorporated with various cations (MFe2O4, M = Ni, Co, Zn, and Sr), are utilized to modify the well aligned TiO2 nanorod arrays (NRAs), which is synthesized by hydrothermal method. It is found that all MFe2O4/TiO2 NRAs show obvious red shift into the visible light region compared with the TiO2 NRAs. In particular, NiFe2O4 modification is demonstrated to be the best way to enhance the photoelectrochemical and photocatalytic activity of TiO2 NRAs. Furthermore, the separation and transfer of charge carriers after MFe2O4 modification are clarified by electrochemical impedance spectroscopy measurements. Finally, the underlying mechanism accounting for the enhanced photocatalytic activity of MFe2O4/TiO2 NRAs is proposed. Through comparison among different transition metals modified TiO2 with the same synthesis process and under the same evaluating condition, this work may provide new insight in designing modified TiO2 nanomaterials as visible light active photocatalysts.

  2. Fabrication of TiO2 nanorod assembly grafted rGO (rGO@TiO2-NR) hybridized flake-like photocatalyst

    Science.gov (United States)

    Lv, Kangle; Fang, Shun; Si, Lingling; Xia, Yang; Ho, Wingkei; Li, Mei

    2017-01-01

    To efficiently separate the photo-generated electron-hole pairs of TiO2 hybrid, anatase TiO2 nanorod assembly grafted reduced graphene oxides (rGO@TiO2-NR) hybrid was successfully fabricated using potassium titanium oxalate (PTO) and graphene oxides (GO) as starting materials and diethylene glycol (DEG) as reductant. The effect of GO content on the structure and photocatalytic activity of rGO@TiO2-NR composite was systematically studied. Results show that, in the absence of GO, only TiO2 microsphere assembly is obtained from TiO2 nanorods. The presence of GO results in the formation of a flake-like TiO2-nanorod-assembled grafted rGO hybrid. The photocatalytic activity of rGO@TiO2-NR composite increases first and then decreases with increase in the amount of GO from 0 wt.% to 10 wt.%. The hybridized S4 sample prepared with 4 wt.% GO possesses the highest photocatalytic activity with a constant rate of 0.039 min-1 in the photocataytic degradation of Brilliant X-3B dye (X3B); this sample was enhanced more than three times when compared with pure TiO2 sample (0.012 min-1). The enhanced photocatalytic activity of the rGO@TiO2-NR hybrid was attributed to the strong interaction between TiO2 nanorods and rGO. The unique hierarchical structure of 1D nanorod assembly TiO2-rGO flakes facilitates the injection and transfer of photo-generated electrons from TiO2 to graphene, thus retarding the recombination of electron-hole pairs and enhancing the photocatalytic activity. The enlarged BET surface areas, not only increasing the number of active sites, but also facilitating the adsorption of the dye, and improved light-harvesting ability also contribute to the enhanced photoreactivity of rGO@TiO2-NR hybrid.

  3. A mechanistic study on templated electrodeposition of one-dimensional TiO2 nanorods and nanotubes using TiOSO4 as a precursor

    KAUST Repository

    Teo, Gladys Y.

    2014-10-01

    One-dimensional (1D) TiO2 nanorods and nanotubes have been successfully synthesized by templated electrodeposition within an anodic aluminium oxide membrane (AAM) using an aqueous precursor containing TiOSO 4. The deposition voltages were found to influence the resultant nanostructure of TiO2. Using a precursor of aqueous TiOSO4 at pH 3 maintained at 10 °C, TiO2 nanorods were electrodeposited in the AAM between applied voltages of - 1.4 V to - 1.0 V (vs. Ag/AgCl), while TiO2 nanotubes were obtained at less negative voltages of - 1.0 V to - 0.3 V (vs. Ag/AgCl). Cyclic voltammetry (CV) revealed that nitrate reduction in the voltage range of - 0.3 V to - 1.4 V played an essential role in the formation of TiO2. The mechanism for TiO2 nanotube formation has been elucidated, paving the way for the future tailoring of metal oxide nanostructures by templated electrodeposition. © 2014 Elsevier B.V.

  4. A mechanistic study on templated electrodeposition of one-dimensional TiO2 nanorods and nanotubes using TiOSO4 as a precursor

    KAUST Repository

    Teo, Gladys Y.; Ryan, Mary P.; Riley, D. Jason

    2014-01-01

    One-dimensional (1D) TiO2 nanorods and nanotubes have been successfully synthesized by templated electrodeposition within an anodic aluminium oxide membrane (AAM) using an aqueous precursor containing TiOSO 4. The deposition voltages were found to influence the resultant nanostructure of TiO2. Using a precursor of aqueous TiOSO4 at pH 3 maintained at 10 °C, TiO2 nanorods were electrodeposited in the AAM between applied voltages of - 1.4 V to - 1.0 V (vs. Ag/AgCl), while TiO2 nanotubes were obtained at less negative voltages of - 1.0 V to - 0.3 V (vs. Ag/AgCl). Cyclic voltammetry (CV) revealed that nitrate reduction in the voltage range of - 0.3 V to - 1.4 V played an essential role in the formation of TiO2. The mechanism for TiO2 nanotube formation has been elucidated, paving the way for the future tailoring of metal oxide nanostructures by templated electrodeposition. © 2014 Elsevier B.V.

  5. The role of annealing temperature variation on ZnO nanorods array deposited on TiO2 seed layer

    Science.gov (United States)

    Asib, N. A. M.; Aadila, A.; Afaah, A. N.; Rusop, M.; Khusaimi, Z.

    2018-05-01

    Seed layer of Titanium dioxide (TiO2) by sol-gel spin coating technique were coated on glass substrate to grow Zinc oxide nanorods (ZNR) by solution-immersion method. The fabricated ZNR were annealed at various temperatures ranged from 400 to 600° C. FESEM images revealed that smaller ZNR were densely grown at optimum temperature of 450 and 500°C. Meanwhile, for all samples a dominant (0 0 2) diffraction peak of ZNR recorded by XRD patterns was at 34.4° which corresponding to hexagonal ZNR with a wurtzite structure. UV-Vis absorbance spectra showed the maximum absorption properties at UV region were detected at 450 and 500°C. The samples also showed high absorbance values at visible region.

  6. Effect of growth time on the structure, morphology and optical properties of hydrothermally synthesized TiO2 nanorod thin films

    Science.gov (United States)

    Mohapatra, A. K.; Nayak, J.

    2018-05-01

    Titanium dioxide (TiO2) nanorod thin films were deposited on fluorine doped tin oxide coated glass substrates by a single step rapid hydrothermal process. The concentration of the precursor, the temperature of the reaction mixture were optimized in order to enhance the rate of deposition. Unlike the previously reported hydrothermal treatment for 24 - 48 h, the deposition of well aligned titanium dioxide nanorods was achieved in a short time such as 3 - 8 h. The crystal structure of the films were investigated by X-rays diffraction. The morphology of the nanorod films were studied with scanning electron microscopy. The optical properties were studied by photoluminescence spectroscopy.

  7. Charge separation in branched TiO_2 nanorod array homojunction aroused by quantum effect for enhanced photocatalytic decomposition of gaseous benzene

    International Nuclear Information System (INIS)

    Wang, Xiaoxia; Ni, Qian; Zeng, Dawen; Liao, Guanglan; Xie, Changsheng

    2016-01-01

    Highlights: • Charge separation in homojunction based on the broadened band gap by quantum effect. • Absolute charge separation by the passivation effect of TiO_2 nanorod. • Long-distance electron transfer behavior in photocatalysis. • Roughed surface for enhanced light harvesting by light trapping effect. - Abstract: As known, the electron transfer behavior in photocatalysis is short-distance transportation, which leads the photo-induced electrons and holes to be localized. The temporarily separated electrons and holes will recombine with each other in the localized region. In this paper, we successfully achieved electron transfer in a homojunction of branched rutile TiO_2 nanorod @nanoparticle core-shell architecture by quantum confinement effect aroused by the nanoparticle, which is proved by the blue-shifting in UV–vis absorption spectrum of the homojunction. Meanwhile, an absolute charge separation is also achieved by the long-distance electron transfer along the single-crystalline rutile TiO_2 nanorod as uninterrupted high-speed electron transfer channel to FTO substrates. Based on the effective charge separation, the photocatalytic decomposition of gaseous benzene by the homojunction is significantly enhanced, yielding 10 times CO_2 than that of the nanorod array. This homojunction interfacial charge separation, aroused by quantum effect, through long-distance transfer along the single-crystalline nanorod gives us inspiration to achieve efficient charge separation with defect-less interfaces, which might can be utilized for real-time environmental abatement and energy generation simultaneously.

  8. CdS Nanoparticle-Modified α-Fe2O3/TiO2 Nanorod Array Photoanode for Efficient Photoelectrochemical Water Oxidation.

    Science.gov (United States)

    Yin, Ruiyang; Liu, Mingyang; Tang, Rui; Yin, Longwei

    2017-09-02

    In this work, we demonstrate a facile successive ionic layer adsorption and reaction process accompanied by hydrothermal method to synthesize CdS nanoparticle-modified α-Fe 2 O 3 /TiO 2 nanorod array for efficient photoelectrochemical (PEC) water oxidation. By integrating CdS/α-Fe 2 O 3 /TiO 2 ternary system, light absorption ability of the photoanode can be effectively improved with an obviously broadened optical-response to visible light region, greatly facilitates the separation of photogenerated carriers, giving rise to the enhancement of PEC water oxidation performance. Importantly, for the designed abnormal type-II heterostructure between Fe 2 O 3 /TiO 2 , the conduction band position of Fe 2 O 3 is higher than that of TiO 2 , the photogenerated electrons from Fe 2 O 3 will rapidly recombine with the photogenerated holes from TiO 2 , thus leads to an efficient separation of photogenerated electrons from Fe 2 O 3 /holes from TiO 2 at the Fe 2 O 3 /TiO 2 interface, greatly improving the separation efficiency of photogenerated holes within Fe 2 O 3 and enhances the photogenerated electron injection efficiency in TiO 2 . Working as the photoanodes of PEC water oxidation, CdS/α-Fe 2 O 3 /TiO 2 heterostucture electrode exhibits improved photocurrent density of 0.62 mA cm - 2 at 1.23 V vs. reversible hydrogen electrode (RHE) in alkaline electrolyte, with an obviously negatively shifted onset potential of 80 mV. This work provides promising methods to enhance the PEC water oxidation performance of the TiO 2 -based heterostructure photoanodes.

  9. TiO2 nanocrystals decorated Z-schemed core-shell CdS-CdO nanorod arrays as high efficiency anodes for photoelectrochemical hydrogen generation.

    Science.gov (United States)

    Li, Chia-Hsun; Hsu, Chan-Wei; Lu, Shih-Yuan

    2018-07-01

    TiO 2 nanocrystals decorated core-shell CdS-CdO nanorod arrays, TiO 2 @CdO/CdS NR, were fabricated as high efficiency anodes for photoelctrochemical hydrogen generation. The novel sandwich heterostructure was constructed from first growth of CdS nanorod arrays on a fluorine doped tin oxide (FTO) substrate with a hydrothermal process, followed by in situ generation of CdO thin films of single digit nanometers from the CdS nanorod surfaces through thermal oxidation, and final decoration of TiO 2 nanocrystals of 10-20 nm via a successive ionic layer absorption and reaction process. The core-shell CdS-CdO heterostructure possesses a Z-scheme band structure to enhance interfacial charge transfer, facilitating effective charge separation to suppress electron-hole recombination within CdS for much improved current density generation. The final decoration of TiO 2 nanocrystals passivates surface defects and trap states of CdO, further suppressing surface charge recombination for even higher photovoltaic conversion efficiencies. The photoelectrochemical performances of the plain CdS nanorod array were significantly improved with the formation of the sandwich heterostructure, achieving a photo current density of 3.2 mA/cm 2 at 1.23 V (vs. RHE), a 141% improvement over the plain CdS nanorod array and a 32% improvement over the CdO/CdS nanorod array. Copyright © 2018 Elsevier Inc. All rights reserved.

  10. Tunable photovoltaic performance of preferentially oriented rutile TiO2 nanorod photoanodes based dye sensitized solar cells with quasi-state electrolyte.

    Science.gov (United States)

    T C, Sabari Girisun; C, Jeganathan; N, Pavithra; Anandan, Sambandam

    2017-12-20

    Photoanodes made of highly oriented TiO2 nanorod arrays with different aspect ratios were synthesized via one-step hydrothermal technique. Preferentially oriented single crystalline rutile TiO2 was confirmed by the single peak in XRD pattern (2θ=63o, (0 0 2)). FESEM image evidence the growth of an array of nanorods having different geometry with respect to reaction time and solution refreshment rate. The length, diameter and aspect ratio of the nanorods increased with reaction time as 4 hours (1.98 μm, 121 nm, 15.32), 8 hours (4 μm, 185 nm, 22.70), 12 hours (5.6 μm, 242 nm, 27.24) and 16 hours (8 μm, 254 nm, 38.02) respectively. Unlike conventional Dye-Sensitized Solar Cell (DSSC) with a liquid electrolyte, DSSC were fabricated here using 1D rutile TiO2 nanorods based photoanodes, N719 dye and quasi-state electrolyte. The charge transport properties were investigated from current-voltage curves and fitted using one-diode model. Interestingly photovoltaic performance of DSSCs increased exponentially with the length of the nanorod and is attributed to the higher surface to volume ratio, more dye anchoring, and channelized electron transport. Higher photovoltaic performance (Jsc=5.99 mA/cm2, Voc=750 mV, η=3.08%) was observed with photoanodes (16 hours) made of densely packed longest TiO2 nanorods (8 µm, 254 nm). © 2017 IOP Publishing Ltd.

  11. Role of Ag2S coupling on enhancing the visible-light-induced catalytic property of TiO2 nanorod arrays

    Science.gov (United States)

    Li, Zhengcao; Xiong, Shan; Wang, Guojing; Xie, Zheng; Zhang, Zhengjun

    2016-01-01

    In order to obtain a better photocatalytic performance under visible light, Ag2S-coupled TiO2 nanorod arrays (NRAs) were prepared through the electron beam deposition with glancing angle deposition (GLAD) technique, annealing in air, followed by the successive ionic layer absorption and reaction (SILAR) method. The properties of the photoelectrochemical and photocatalytic degradation of methyl orange (MO) were thus conducted. The presence of Ag2S on TiO2 NRAs was observed to have a significant improvement on the response to visible light. It’s resulted from that Ag2S coupling can improve the short circuit photocurrent density and enhance the photocatalytic activity remarkably.

  12. Photodegradation of phenol by N-Doped TiO2 anatase/rutile nanorods assembled microsphere under UV and visible light irradiation

    International Nuclear Information System (INIS)

    Mohamed, Mohamad Azuwa; Salleh, W.N.W.; Jaafar, Juhana; Ismail, A.F.; Nor, Nor Azureen Mohamad

    2015-01-01

    N-doped TiO 2 anatase/rutile nanorods assembled microspheres were successfully synthesized via a simple and direct sol–gel method containing titanium-n-butoxide Ti(OBu) 4 as a precursor material, nitric acid as a catalyst, and isopropanol as a solvent. By manipulating calcination temperature, the photocatalyst consisting of different phase compositions of anatase and rutile was obtained. The prepared TiO 2 nanoparticles were characterized by means of x-ray diffraction (XRD), field emission scanning microscope (FESEM), atomic force microscopy (AFM), Brunauer–Emmett–Teller (BET) analysis, UV–Vis–NIR spectroscopy, and fourier transform infrared (FTIR). The results from UV–Vis–NIR spectroscopy and FTIR revealed the direct incorporation of nitrogen in TiO 2 lattice since visible absorption capability was observed at 400–600 nm. XPS study indicated the incorporation of nitrogen as dopant in TiO 2 at binding energies of 396.8, 397.5, 398.7, 399.8, and 401 eV. Calcination temperature was observed to have a great influence on the photocatalytic activity of the TiO 2 nanorods. The photocatalytic activity of the prepared mixed phase of anatase/rutile TiO 2 nanoparticles was measured by photodegradation phenol in an aqueous solution under UV and visible irradiations. N-doped TiO 2 anatase/rutile nanorods assembled microsphere (consists of 38.3% anatase and 61.7% rutile) that was prepared at 400 °C exhibited the highest photocatalytic activity after irradiated under visible and UV light for 540 min. The high performance of photocatalyst materials could be obtained by adopting a judicious combination of anatase/rutile prepared at optimum calcination conditions. - Highlights: • Synthesis of N-Doped TiO 2 Anatase/Rutile Nanorods via simple preparation method. • Direct incorporation of HNO 3 as the nitrogen dopant source. • The photocatalytic properties were studied upon UV and visible light irradiation. • The optimum calcination temperature is 400 °C for

  13. Controlled Assembly of Nanorod TiO2 Crystals via a Sintering Process: Photoanode Properties in Dye-Sensitized Solar Cells

    Directory of Open Access Journals (Sweden)

    Saeid Vafaei

    2017-01-01

    Full Text Available We present for the first time a synthetic method of obtaining 1D TiO2 nanorods with sintering methods using bundle-shaped 3D rutile TiO2 particles (3D BR-TiO2 with the dimensions of around 100 nm. The purpose of this research is (i to control crystallization of the mixture of two kinds of TiO2 semiconductor nanocrystals, that is, 3D BR-TiO2 and spherical anatase TiO2 (SA-TiO2 on FTO substrate via sintering process and (ii to establish a new method to create photoanodes in dye-sensitized solar cells (DSSCs. In addition, we focus on the preparation of low-cost and environmentally friendly titania electrode by adopting the “water-based” nanofluids. Our results provide useful guidance on how to improve the photovoltaic performance by reshaping the numerous 3D TiO2 particles to 1D TiO2-based electrodes with sintering technique.

  14. Solid-State Dewetting of Gold Aggregates/Islands on TiO2 Nanorod Structures Grown by Oblique Angle Deposition.

    Science.gov (United States)

    Liu, Shizhao; Plawsky, Joel L

    2017-12-12

    A composite film made of a stable gold nanoparticle (NP) array with well-controlled separation and size atop a TiO 2 nanorod film was fabricated via the oblique angle deposition (OAD) technique. The fabrication of the NP array is based on controlled, Rayleigh-instability-induced, solid-state dewetting of as-deposited gold aggregates on the TiO 2 nanorods. It was found that the initial spacing between as-deposited gold aggregates along the vapor flux direction should be greater than the TiO 2 interrod spacing created by 80° OAD to control dewetting and produce NP arrays. A numerical investigation of the process was conducted using a phase-field modeling approach. Simulation results showed that coalescence between neighboring gold aggregates is likely to have caused the uncontrolled dewetting in the 80° deposition, and this could be circumvented if the initial spacing between gold aggregates is larger than a critical value s min . We also found that TiO 2 nanorod tips affect dewetting dynamics differently than planar TiO 2 . The topology of the tips can induce contact line pinning and an increase in the contact angle along the vapor flux direction to the supported gold aggregates. These two effects are beneficial for the fabrication of monodisperse NPs based on Rayleigh-instability-governed self-assembly of materials, as they help to circumvent the undesired coalescence and facilitate the instability growth on the supported material. The findings uncover the application potential of OAD as a new method to fabricate structured films as template substrates to mediate dewetting. The reported composite films would have uses in optical coatings and photocatalytic systems, taking advantage of their ability to combine plasmonic nanostructures within a nanostructured dielectric film.

  15. Three-dimensional self-branching anatase TiO_2 nanorods with the improved carrier collection for SrTiO_3-based perovskite solar cells

    International Nuclear Information System (INIS)

    Hu, Yajing; Wang, Chen; Tang, Ying; Huang, Lu; Fu, Jianxun; Shi, Weimin; Wang, Linjun; Yang, Weiguang

    2016-01-01

    The organic–inorganic perovskite solar cells based on ternary oxide SrTiO_3 shows a higher Voc, attributed to its slightly higher conduction band edge and better morphology of absorber material. However, its less efficient carrier collection and limited overall interfacial areas between the absorber material and the electron-transport layer (ETL), dramatically reducing the Jsc. Here, By adjusting the concentrations of the Ti(OBu)_4, we successfully prepared the three-dimensional (3D) self-branching anatase TiO_2 nanorod/SrTiO_3 nanocomposites, and slightly tuned the particle size of SrTiO_3. With the incorporation of the three-dimensional (3D) self-branching anatase TiO_2 nanorod, the Jsc of the device based on SrTiO_3 was highly boosted. The best performing solar cell we obtained exhibited a PCE of 9.99% with a Jsc of 19.48 mA/cm"2. The excellent performance could be ascribed to the improvement of charge carrier collection of SrTiO_3, better surface coverage and crystallinity of CH_3NH_3PbI_3, and enhanced light scattering ability caused by 3D self-branching anatase TiO_2 nanorods. - Highlights: • The three-dimensional (3D) self-branching anatase TiO_2 nanorod/SrTiO_3 nanocomposites were prepared. • The particle sizes of SrTiO_3 can be slightly tuned. • The best performing solar cell we obtained exhibited a PCE of 9.99% with the Jsc of 19.48 mA/cm"2.

  16. Surfactant-free bio-synthesised Tio2 nanorods from Turbinaria conoides-a study on photocatalytic and anti-bacterial activity

    Science.gov (United States)

    Subhapriya, S.; Gomathipriya, P.

    2018-06-01

    In this study, Titania nanorods were synthesised from aqueous extract of Turbinaria conoides (brown seaweeds) (TiO2NRs-TC) under surfactant free medium. The photocatalytic activity of the synthesised nanorods was tested towards the photocatalytic decolourization using simulated dye wastewater containing Navy Blue HER (NBHER). The synthesised Titania nanorods were characterized by using x-ray diffraction (XRD), UV–visible spectroscopy (UV–vis), Scanning Electron Microscopy (SEM), Energy Dispersive Spectrophotometer (EDS) and Transmission Electron Microscopy (TEM). XRD pattern confirms the anatase phase formation and HR-SEM micrograph shows the presence of rod like structure with the size of about 50 nm. TEM analysis proves the rod like structure with a size of 45–50 nm which was in agreement with the XRD analysis and HR-SEM images. EDS and XDS confirmed the formation of Titania nanoparticles. The formation of TiO2NRs-TC has a beneficial influence on the dye Navy blue HER photodegradation. TiO2-TC nano rods also show superior photocatalytic ability in hydrogen generation (2.1 mmol/h‑1g‑1). The antibacterial activity of the synthesised nanoparticles was examined using disc diffusion method which showed diverse susceptibility of microorganisms to the Titania nanoparticles.

  17. Films of brookite TiO2 nanorods/nanoparticles deposited by matrix-assisted pulsed laser evaporation as NO2 gas-sensing layers

    Science.gov (United States)

    Caricato, A. P.; Buonsanti, R.; Catalano, M.; Cesaria, M.; Cozzoli, P. D.; Luches, A.; Manera, M. G.; Martino, M.; Taurino, A.; Rella, R.

    2011-09-01

    Titanium dioxide (TiO2) nanorods in the brookite phase, with average dimensions of 3-4 nm × 20-50 nm, were synthesized by a wet-chemical aminolysis route and used as precursors for thin films that were deposited by the matrix-assisted pulsed laser evaporation (MAPLE) technique. A nanorod solution in toluene (0.016 wt% TiO2) was frozen at the liquid-nitrogen temperature and irradiated with a KrF excimer laser at a fluence of 350 mJ/cm2 and repetition rate of 10 Hz. Single-crystal Si wafers, silica slides, carbon-coated Cu grids and alumina interdigitated slabs were used as substrates to allow performing different characterizations. Films fabricated with 6000 laser pulses had an average thickness of ˜150 nm, and a complete coverage of the selected substrate as achieved. High-resolution scanning and transmission electron microscopy investigations evidenced the formation of quite rough films incorporating individually distinguishable TiO2 nanorods and crystalline spherical nanoparticles with an average diameter of ˜13 nm. Spectrophotometric analysis showed high transparency through the UV-Vis spectral range. Promising resistive sensing responses to 1 ppm of NO2 mixed in dry air were obtained.

  18. Adsorption and Recovery of Polyphenolic Flavonoids Using TiO_2-Functionalized Mesoporous Silica Nanoparticles

    International Nuclear Information System (INIS)

    Khan, M. Arif; Wallace, William T.; Islam, Syed Z.; Nagpure, Suraj; Strzalka, Joseph

    2017-01-01

    Exploiting specific interactions with titania (TiO_2) has been proposed for the separation and recovery of a broad range of biomolecules and natural products, including therapeutic polyphenolic flavonoids which are susceptible to degradation, such as quercetin. Functionalizing mesoporous silica with TiO_2 has many potential advantages over bulk and mesoporous TiO_2 as an adsorbent for natural products, including robust synthetic approaches leading to high surface area, stable separation platforms. Here, TiO_2 surface functionalized mesoporous silica nanoparticles (MSNPs) are synthesized and characterized as a function of TiO_2 content (up to 636 mg TiO2/g). The adsorption isotherms of two polyphenolic flavonoids, quercetin and rutin, were determined (0.05-10 mg/ml in ethanol), and a 100-fold increase in the adsorption capacity was observed relative to functionalized nonporous particles with similar TiO_2 surface coverage. An optimum extent of functionalization (approximately 440 mg TiO_2/g particles) is interpreted from characterization techniques including grazing incidence x-ray scattering (GIXS), high resolution transmission electron microscopy (HRTEM) and nitrogen adsorption, which examined the interplay between the extent of TiO_2 functionalization and the accessibility of the porous structures. The recovery of flavonoids is demonstrated using ligand displacement in ethanolic citric acid solution (20% w/v), in which greater than 90% recovery can be achieved in a multistep extraction process. The radical scavenging activity (RSA) of the recovered and particle-bound quercetin as measured by 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging assay demonstrates greater than 80% retention of antioxidant activity by both particle-bound and recovered quercetin. In conclusion, these mesoporous titanosilicate materials can serve as a synthetic platform to isolate, recover, and potentially deliver degradation-sensitive natural products to biological systems.

  19. Amine functionalized TiO2-carbon nanotube composite: synthesis, characterization and application to glucose biosensing

    Science.gov (United States)

    Tasviri, Mahboubeh; Rafiee-Pour, Hossain-Ali; Ghourchian, Hedayatollah; Gholami, Mohammad Reza

    2011-12-01

    The synthesis of amine functionalized TiO2-coated multiwalled carbon nanotubes (NH2-TiO2-CNTs) using sol-gel method was investigated. The synthesized nanocomposite was characterized with XRD, FTIR spectroscopy, BET test and SEM imaging. The results demonstrated a unique nanostructure with no destruction of the CNTs' shape. In addition, the presence of amine groups on the composite surface was confirmed by FTIR. This nanocomposite was used for one-step immobilization of glucose oxidase (GOx) to sense glucose. The result of cyclic voltammetry showed a pair of well-defined and quasi-reversible peaks for direct electron transfer of GOx in the absence of glucose. Also, the result of electrochemical impedance spectroscopy indicated that GOx was successfully immobilized on the surface of NH2-TiO2-CNTs. Furthermore, good amperometric response showed that immobilized GOx on the NH2-TiO2-CNTs exhibits exceptional bioelectrocatalytic activity toward glucose oxidation.

  20. Design and construction of hierarchical TiO2 nanorod arrays by combining layer-by-layer and hydrothermal crystallization techniques for electrochromic application

    Science.gov (United States)

    Chen, Yongbo; Li, Xiaomin; Bi, Zhijie; He, Xiaoli; Li, Guanjie; Xu, Xiaoke; Gao, Xiangdong

    2018-05-01

    The hierarchical TiO2 (H-TiO2) nanorod arrays (NRAs) composed of single-crystalline nanorods and nanocrystals were finely designed and successfully constructed for electrochromic (EC) application. By combining layer-by-layer (LBL) method and hydrothermal crystallization technique, the superfine nanocrystals (5-7 nm), which can provide abundant active sites and facilitate ion insertion/extraction during EC reactions, were uniformly and conformally assembled on the surface of single-crystalline TiO2 (SC-TiO2) NRAs. The as-formed H-TiO2 NRAs integrate the advantages of one-dimensional NRAs with fast kinetics and superfine nanocrystals with high ion capacity, showing highly enhanced EC performance. Large optical contrast (40.3%), shorter coloring/bleaching time (22/4 s), high coloration efficiency (11.2 cm2 C-1), and excellent cycling stability can be achieved in H-TiO2 NRAs, superior to the pristine SC-TiO2 NRAs and nanocrystalline TiO2 films. This work provides a feasible and well-designed strategy to explore high-performance materials for EC application.

  1. Photocatalytic activity of Ti3+ self-doped dark TiO2 ultrafine nanorods, grey SiO2 nanotwin crystalline, and their composite under visible light

    Science.gov (United States)

    Zhang, Renhui; Yang, Yingchang; Leng, Senlin; Wang, Qing

    2018-04-01

    Efficient electron-holes separation is of crucial importance for the improvement of photocatalytic activity for photocatalytic reaction. In this work, dark TiO2 (D-TiO2) nanorods, grey SiO2 (G-SiO2) and D-TiO2/G-SiO2 composite with surface defects are synthesized. We report that the efficiency of photo-generated electrons and holes separation is well enhanced by introducing G-SiO2 into D-TiO2 lattice. Using first-principles method, we find that surface defects (O or Si vacancy) can be conducive to improving the optical absorption under visible-light region. Combination of the experimental results, for D-TiO2/G-SiO2 composite, the surface defects of TiO2 nanocrystallines can significantly improve the photocatalytic efficiency.

  2. Heterostructured TiO2/NiTiO3 Nanorod Arrays for Inorganic Sensitized Solar Cells with Significantly Enhanced Photovoltaic Performance and Stability.

    Science.gov (United States)

    Li, Yue-Ying; Wang, Jian-Gan; Sun, Huan-Huan; Wei, Bingqing

    2018-04-11

    Organic dyes used in the conventional dye-sensitized solar cells (DSSCs) suffer from poor light stability and high cost. In this work, we demonstrate a new inorganic sensitized solar cell based on ordered one-dimensional semiconductor nanorod arrays of TiO 2 /NiTiO 3 (NTO) heterostructures prepared via a facile two-step hydrothermal approach. The semiconductor heterostructure arrays are highly desirable and promising for DSSCs because of their direct charge transport capability and slow charge recombination rate. The low-cost NTO inorganic semiconductor possesses an appropriate band gap that matches well with TiO 2 , which behaves like a "dye" to enable efficient light harvesting and fast electron-hole separation. The solar cells constructed by the ordered TiO 2 /NTO heterostructure photoanodes show a significantly improved power conversion efficiency, high fill factor, and more promising, outstanding life stability. The present work will open up an avenue to design heterostructured inorganics for high-performance solar cells.

  3. Enhanced gas sensing performance of TiO2 functionalized magneto-optical SPR sensors

    OpenAIRE

    Manera, Maria Grazia; Montagna, G.; Ferreiro-Vila, Elías; González-García, Lola; Sánchez-Valencia, J.R.; González-Elipe, Agustín R.; Cebollada, Alfonso; García-Martín, José Miguel; García-Martín, Antonio; Armelles Reig, Gaspar; Rella, Roberto

    2011-01-01

    Porous TiO2 thin films deposited by glancing angle deposition are used as sensing layers to monitor their sensing capabilities towards Volatile Organic Compounds both in a standard Surface Plasmon Resonance (SPR) sensor and in Magneto-Optical Surface Plasmon Resonance (MO-SPR) configuration in order to compare their sensing performances. Here our results on the enhanced sensing capability of these TiO2 functionalized MO-SPR sensors with Au/Co/Au transducers with respect to traditional SPR gas...

  4. Combination of short-length TiO_2 nanorod arrays and compact PbS quantum-dot thin films for efficient solid-state quantum-dot-sensitized solar cells

    International Nuclear Information System (INIS)

    Zhang, Zhengguo; Shi, Chengwu; Chen, Junjun; Xiao, Guannan; Li, Long

    2017-01-01

    Graphical abstract: The TiO_2 nanorod array with the length of 600 nm, the diameter of 20 nm, the areal density of 500 μm"−"2 was successfully prepared. The compact PbS quantum-dot thin film was firstly obtained on the TiO_2 nanorod array by spin-coating-assisted successive ionic layer absorption and reaction with using 1,2-ethanedithiol. The photoelectric conversion efficiency (PCE) of the compact PbS quantum-dot thin film sensitized solar cells achieved 4.10% using spiro-OMeTAD as a hole transporting layer, while the PCE of the PbS quantum-dot sensitized solar cells was only 0.54%. - Highlights: • Preparation of TiO_2 nanorod arrays with the length of 600 nm, diameter of 20 nm. • The compact PbS QD thin film and short-length TiO_2 nanorod array were combined. • EDT addition improved PbS nanoparticle coverage and photovoltaic performance. • The compact PbS QD thin film sensitized solar cell achieved the PCE of 4.10%. - Abstract: Considering the balance of the hole diffusion length and the loading quantity of quantum-dots, the rutile TiO_2 nanorod array with the length of 600 nm, the diameter of 20 nm, and the areal density of 500 μm"−"2 is successfully prepared by the hydrothermal method using the aqueous grown solution of 38 mM titanium isopropoxide and 6 M hydrochloric acid at 170 °C for 105 min. The compact PbS quantum-dot thin film on the TiO_2 nanorod array is firstly obtained by the spin-coating-assisted successive ionic layer absorption and reaction with using 1,2-ethanedithiol (EDT). The result reveals that the strong interaction between lead and EDT is very important to control the crystallite size of PbS quantum-dots and obtain the compact PbS quantum-dot thin film on the TiO_2 nanorod array. The all solid-state sensitized solar cell with the combination of the short-length, high-density TiO_2 nanorod array and the compact PbS quantum-dot thin film achieves the photoelectric conversion efficiency of 4.10%, along with an open

  5. TiO2 Nanorod Arrays Based Self-Powered UV Photodetector: Heterojunction with NiO Nanoflakes and Enhanced UV Photoresponse.

    Science.gov (United States)

    Gao, Yanyan; Xu, Jianping; Shi, Shaobo; Dong, Hong; Cheng, Yahui; Wei, Chengtai; Zhang, Xiaosong; Yin, Shougen; Li, Lan

    2018-04-04

    The self-powered ultraviolet photodetectors (UV PDs) have attracted increasing attention due to their potential applications without consuming any external power. It is important to obtain the high-performance self-powered UV PDs by a simple method for the practical application. Herein, TiO 2 nanorod arrays (NRs) were synthesized by hydrothermal method, which were integrated with p-type NiO nanoflakes to realize a high performance pn heterojunction for the efficient UV photodetection. TiO x thin film can improve the morphological and carrier transport properties of TiO 2 NRs and decrease the surface and defect states, resulting in the enhanced photocurrent of the devices. NiO/TiO 2 nanostructural heterojunctions show excellent rectifying characteristics (rectification ratio of 2.52 × 10 4 and 1.45 × 10 5 for NiO/TiO 2 NRs and NiO/TiO 2 NRs/TiO x , respectively) with a very low reverse saturation current. The PDs based on the heterojunctions exhibit good spectral selectivity, high photoresponsivity, and fast response and recovery speeds without external applied bias under the weak light radiation. The devices demonstrate good stability and repeatability under UV light radiation. The self-powered performance could be attributed to the proper built-in electric field of the heterojunction. TiO 2 NRs and NiO nanoflakes construct the well-aligned energy-band structure. The enhanced responsivity and detectivity for the devices with TiO x thin films is related to the increased interfacial charge separation efficiency, reduced carrier recombination, and relatively good electron transport of TiO 2 NRs.

  6. Tunable photovoltaic performance of preferentially oriented rutile TiO2 nanorod photoanode based dye sensitized solar cells with quasi-state electrolyte.

    Science.gov (United States)

    Girisun, T C Sabari; Jeganathan, C; Pavithra, N; Anandan, S

    2018-01-23

    Photoanodes made of highly oriented TiO 2 nanorod (NR) arrays with different aspect ratios were synthesized via a one-step hydrothermal technique. Preferentially oriented single crystalline rutile TiO 2 was confirmed by the single peak in an XRD pattern (2θ = 63°, (0 0 2)). FESEM images evidenced the growth of an array of NRss having different geometries with respect to reaction time and solution refreshment rate. The length, diameter and aspect ratio of the NRs increased with reaction time as 4 h (1.98 μm, 121 nm, 15.32), 8 h (4 μm, 185 nm, 22.70), 12 h (5.6 μm, 242 nm, 27.24) and 16 h (8 μm, 254 nm, 38.02), respectively. Unlike a conventional dye-sensitized solar cell (DSSC) with a liquid electrolyte, DSSCs were fabricated here using one-dimensional rutile TiO 2 NR based photoanodes, N719 dye and a quasi-state electrolyte. The charge transport properties were investigated using current-voltage curves and fitted using the one-diode model. Interestingly the photovoltaic performance of the DSSCs increased exponentially with the length of the NR and was attributed to a higher surface to volume ratio, more dye anchoring, and channelized electron transport. The higher photovoltaic performance (J sc  = 5.99 mA cm -2 , V oc  = 750 mV, η = 3.08%) was observed with photoanodes (16 h) made with the longer, densely packed TiO 2 NRs (8 μm, 254 nm).

  7. Development of Nano TiO2–Geopolymer Functional Composite as Antifouling Bricks

    Directory of Open Access Journals (Sweden)

    Kusuma Wardani Nurul

    2017-01-01

    Full Text Available The purpose of study is to examine the ability of nano TiO2 – geopolymer functional composite as antifouling bricks. The samples were synthesized through alkali-activation method at 70°C for 1 hour by mixing metaclay with TiO2 nanoparticles and activated with sodium silicate solution. There were two series of samples produced, namely, GT_A with addition of 2% nanoTiO2 and GT_B with addition of 4% nano TiO2 relative to the mass of metaclay. The samples were immersed in water and in 1M H2SO4 solution for 4 days to examine the resistance of composites in hars environment. The x-ray diffraction (XRD was performed to examine the chemical compositions of the samples before and after environmental test. The morphology of the samples surfaces was examined by using Scanning Electron Microscopy (SEM coupled with energy dispersive spectroscopy (EDS. Based on this study, sample GT_A shows its excellent properties as antifouling bricks. The addition of nano TiO2 was found to improve the quality of geopolymers as a high performance bricks.

  8. Modest effect on plaque progression and vasodilatory function in atherosclerosis-prone mice exposed to nanosized TiO2

    DEFF Research Database (Denmark)

    Mikkelsen, Lone; Sheykhzade, Majid; Jensen, Keld A

    2011-01-01

    of atherosclerotic plaques in aorta was assessed in mice exposed to nanosized TiO2 (0.5 mg/kg bodyweight) once a week for 4 weeks. We measured mRNA levels of Mcp-1, Mip-2, Vcam-1, Icam-1 and Vegf in lung tissue to assess pulmonary inflammation and vascular function. TiO2-induced alterations in nitric oxide (NO...... were intratracheally instilled (0.5 mg/kg bodyweight) with rutile fine TiO2 (fTiO2, 288 nm), photocatalytic 92/8 anatase/rutile TiO2 (pTiO2, 12 nm), or rutile nano TiO2 (nTiO2, 21.6 nm) at 26 and 2 hours before measurement of vasodilatory function in aorta segments mounted in myographs. The progression...

  9. Solid state perovskite solar modules by vacuum-vapor assisted sequential deposition on Nd:YVO_4 laser patterned rutile TiO_2 nanorods

    International Nuclear Information System (INIS)

    Fakharuddin, Azhar; Wali, Qamar; Rauf, Muhammad; Jose, Rajan; Palma, Alessandro L; Giacomo, Francesco Di; Casaluci, Simone; Matteocci, Fabio; Carlo, Aldo Di; Brown, Thomas M

    2015-01-01

    The past few years have witnessed remarkable progress in solution-processed methylammonium lead halide (CH_3NH_3PbX_3, X = halide) perovskite solar cells (PSCs) with reported photoconversion efficiency (η) exceeding 20% in laboratory-scale devices and reaching up to 13% in their large area perovskite solar modules (PSMs). These devices mostly employ mesoporous TiO_2 nanoparticles (NPs) as an electron transport layer (ETL) which provides a scaffold on which the perovskite semiconductor can grow. However, limitations exist which are due to trap-limited electron transport and non-complete pore filling. Herein, we have employed TiO_2 nanorods (NRs), a material offering a two-fold higher electronic mobility and higher pore-filing compared to their particle analogues, as an ETL. A crucial issue in NRs’ patterning over substrates is resolved by using precise Nd:YVO_4 laser ablation, and a champion device with η ∼ 8.1% is reported via a simple and low cost vacuum-vapor assisted sequential processing (V-VASP) of a CH_3NH_3PbI_3 film. Our experiments showed a successful demonstration of NRs-based PSMs via the V-VASP technique which can be applied to fabricate large area modules with a pin-hole free, smooth and dense perovskite layer which is required to build high efficiency devices. (paper)

  10. Sensing behavior of acetone vapors on TiO_2 nanostructures — application of density functional theory

    Directory of Open Access Journals (Sweden)

    V. Nagarajan

    2017-12-01

    Full Text Available The electronic properties of TiO_2 nanostructure are explored using density functional theory. The adsorption properties of acetone on TiO_2 nanostructure are studied in terms of adsorption energy, average energy gap variation and Mulliken charge transfer. The density of states spectrum and the band structure clearly reveals the adsorption of acetone on TiO_2 nanostructures. The variation in the energy gap and changes in the density of charge are observed upon adsorption of acetone on n-type TiO_2 base material. The results of DOS spectrum reveal that the transfer of electrons takes place between acetone vapor and TiO_2 base material. The findings show that the adsorption property of acetone is more favorable on TiO_2 nanostructure. Suitable adsorption sites of acetone on TiO_2 nanostructure are identified at atomistic level. From the results, it is confirmed that TiO_2 nanostructure can be efficiently utilized as a sensing element for the detection of acetone vapor in a mixed environment.

  11. Efficient one-pot synthesis of Ag nanoparticles loaded on N-doped multiphase TiO2 hollow nanorod arrays with enhanced photocatalytic activity

    International Nuclear Information System (INIS)

    Wu Min; Yang Beifang; Lv Yan; Fu Zhengping; Xu Jiao; Guo Ting; Zhao Yongxun

    2010-01-01

    The simultaneous Ag loaded and N-doped TiO 2 hollow nanorod arrays with various contents of silver (Ag/N-THNAs) were successfully synthesized on glass substrates by one-pot liquid phase deposition (LPD) method using ZnO nanorod arrays as template. The catalysts were characterized by Raman spectrum, field-emission scanning electron microscopy (FESEM), high-resolution transmission electron microscope (HRTEM), ultraviolet-vis (UV-vis) absorption spectrum and X-ray photoelectron spectroscopy (XPS). The results suggest that AgNO 3 additive in the precursor solutions not only can promote the anatase-to-rutile phase transition, but also influence the amount of N doping in the samples. The photocatalytic activity of all the samples was evaluated by photodegradation of methylene blue (MB) in aqueous solution. The sample exhibited the highest photocatalytic activity under UV light illumination when the AgNO 3 concentration in the precursor solution was 0.03 M, due to Ag nanoparticles acting as electron sinks; When the AgNO 3 concentration was 0.07 M, the sample performed best under visible light illumination, attributed to the synergetic effects of Ag loading, N doping, and the multiphase structure (anatase/rutile).

  12. Construction of AgBr nano-cakes decorated Ti3+ self-doped TiO2 nanorods/nanosheets photoelectrode and its enhanced visible light driven photocatalytic and photoelectrochemical properties

    Science.gov (United States)

    Deng, Xiaoyong; Zhang, Huixuan; Guo, Ruonan; Cheng, Xiuwen; Cheng, Qingfeng

    2018-05-01

    In the study, AgBr nano-cakes decorated Ti3+ self-doped TiO2 nanorods/nanosheets (AgBr-Ti3+/TiO2 NRs/NSs) photoelectrode with enhanced visible light driven photocatalytic (PC) and photoelectrochemical (PECH) performance has been successfully fabricated by hydrothermal reaction, followed by sodium borohydride reduction and then successive ionic layer adsorption and reaction (SILAR) treatment. Afterwards, series of characterizations were conducted to study the physicochemical properties of AgBr-Ti3+/TiO2 NRs/NSs photoelectrode. Results indicated that AgBr nano-cakes with sizes varying from 110 to 180 nm were uniformly decorated on the surface of Ti3+/TiO2 NRs/NSs to form AgBr-Ti3+/TiO2 NRs/NSs photoelectrode. Moreover, PC activity of AgBr-Ti3+/TiO2 NRs/NSs photoelectrode was measured by degradation of methylene blue (MB). It was found that AgBr-Ti3+/TiO2 NRs/NSs photoelectrode exhibited higher PC activity (98.7%) than that of other samples within 150 min visible light illumination, owing to the enhancement of visible light harvesting and effective separation of photoproduced charges. Thus, AgBr nano-cakes and Ti3+ exerted a huge influence on the PC and PECH properties of AgBr-Ti3+/TiO2 NRs/NSs photoelectrode. Furthermore, the possible enhanced visible light driven PC mechanism of AgBr-Ti3+/TiO2 NRs/NSs was proposed and confirmed.

  13. Adsorption of methyl orange by synthesized and functionalized-CNTs with 3-aminopropyltriethoxysilane loaded TiO2 nanocomposites.

    Science.gov (United States)

    Ahmad, Amirah; Razali, Mohd Hasmizam; Mamat, Mazidah; Mehamod, Faizatul Shimal Binti; Anuar Mat Amin, Khairul

    2017-02-01

    This study aims to develop a highly efficient adsorbent material. CNTs are prepared using a chemical vapor deposition method with acetylene and synthesized mesoporous Ni-MCM41 as the carbon source and catalyst, respectively, and are then functionalized using 3-aminopropyltriethoxysilane (APTES) through the co-condensation method and loaded with commercial TiO 2 . Results of X-ray powder diffraction (XRD), Raman spectra, and Fourier transform infrared spectroscopy (FTIR) confirm that the synthesized CNTs grown are multi-walled carbon nanotubes (MWNTs). Transmission electron microscopy shows good dispersion of TiO 2 nanoparticles onto functionalized-CNTs loaded TiO 2 , with the diameter of a hair-like structure measuring between 3 and 8 nm. The functionalized-CNTs loaded TiO 2 are tested as an adsorbent for removal of methyl orange (MO) in aqueous solution, and results show that 94% of MO is removed after 10 min of reaction, and 100% after 30 min. The adsorption kinetic model of functionalized-CNTs loaded TiO 2 follows a pseudo-second order with a maximum adsorption capacity of 42.85 mg/g. This study shows that functionalized-CNTs loaded TiO 2 has considerable potential as an adsorbent material due to the short adsorption time required to achieve equilibrium. Copyright © 2016 Elsevier Ltd. All rights reserved.

  14. Water on TiO2 studied by work function change: adsorption in cycles

    International Nuclear Information System (INIS)

    Bundaleski, Nenad; Silva, Ana G; Jean-Shaw, Bobbie; Teodoro, Orlando; Moutinho, Augusto

    2013-01-01

    The nature of water adsorption on TiO 2 (110) rutile surface attracts a lot of attention for quite some time. In spite of the considerable experimental and theoretical efforts a lot of details remain unclear. We have been using work function study to follow the adsorption of water on TiO 2 at room temperature, and interpreted the results in terms of fast dissociative adsorption on bridging oxygen vacancies (BOV) and much slower non-dissociative adsorption on Ti 5f rows. Additionally, we concluded that water from Ti 5f rows efficiently desorbs at room temperature which is not the case for BOV adsorption sites. Here we propose a novel experimental approach which consists of monitoring in real-time the work function change during cycles of water adsorption. Since desorption at BOVs does not take place at room temperature, this method allows us to resolve the adsorption dynamics on the two adsorption sites. The first results changed our understanding of the phenomenon: we show that both, adsorption on BOVs and Ti 5f are both very fast. Additionally, slow exponential decay of the work function is observed, which is not directly related to water adsorption. The possible explanation of the third slow contribution could be related to the migration of hydrogen atoms along the bridging oxygen rows.

  15. Graphene oxide hydrogel as a restricted-area nanoreactor for synthesis of 3D graphene-supported ultrafine TiO2 nanorod nanocomposites for high-rate lithium-ion battery anodes

    Science.gov (United States)

    Cheng, Jianli; Gu, Guifang; Ni, Wei; Guan, Qun; Li, Yinchuan; Wang, Bin

    2017-07-01

    Three-dimensional graphene-supported TiO2 nanorod nanocomposites (3D GS-TNR) are prepared using graphene oxide hydrogel as a restricted-area nanoreactor in the hydrothermal process, in which well-distributed TiO2 nanorods with a width of approximately 5 nm and length of 30 nm are conformally embedded in the 3D interconnected graphene network. The 3D graphene oxide not only works as a restricted-area nanoreactor to constrain the size, distribution and morphology of the TiO2; it also work as a highly interconnected conducting network to facilitate electrochemical reactions and maintain good structural integration when the nanocomposites are used as anode materials in lithium-ion batteries. Benefiting from the nanostructure, the 3D GS-TNR nanocomposites show high capacity and excellent long-term cycling capability at high current rates. The 3D GS-TNR composites deliver a high initial charge capacity of 280 mAh g-1 at 0.2 C and maintain a reversible capacity of 115 mAh g-1, with a capacity retention of 83% at 20 C after 1000 cycles. Meanwhile, compared with that of previously reported TiO2-based materials, the 3D GS-TNR nanocomposites show much better performance, including higher capacity, better rate capability and long-term cycling stability.

  16. Data on the effect of the dispersion of functionalized nanoparticles TiO2 with photocatalytic activity in LDPE

    Directory of Open Access Journals (Sweden)

    Alvarado Jahell

    2018-02-01

    Full Text Available This article contains the dataset referring to the article ''Study of the effect of the dispersion of functionalized nanoparticles TiO2 with photocatalytic activity in LDPE'' (Jahell et al., 2016 [1]. It includes the FT-IR data of the functionalized nanoparticles of TiO2 with Hexadecyltrimethoxysilane in different degrees of functionalization, thermogravimetric analysis, distribution and particle size in the polymer matrix by scanning electron microscopy (SEM, carbonyl index, gravimetry and scanning electron microscopy of the nanocomposite degraded by UV radiation.

  17. Density functional theory study of atomic and electronic properties of defects in reduced anatase TiO2 nanocrystals

    Science.gov (United States)

    Morita, Kazuki; Yasuoka, Kenji

    2018-03-01

    Anatase TiO2 nanocrystals have received considerable attention owing to their promising applications in photocatalysis, photovoltaics, and fuel cells. Although experimental evidence has shown that the performance of nanocrystals can be significantly improved through reduction, the mechanistic basis of this enhancement remains unclear. To shed a light on the chemistry of reduced anatase TiO2 nanocrystals, density functional theory were used to investigate the properties of defects and excess electrons. We demonstrated that oxygen vacancies are stable both on the surface and at the sub-surface of the nanocrystal, while titanium interstitials prefer sub-surface sites. Different defect locations possessed different excess electron structures, which contributed to deep and shallow states in the band gap of the nanocrystals. Furthermore, valence band tailing was observed, resulting in band gap narrowing. The theoretical results presented here deepen our understanding, and show the potential of defects to considerably change the macroscopic properties of anatase TiO2 nanocrystals.

  18. Influence of sterilization methods on cell behavior and functionality of osteoblasts cultured on TiO2 nanotubes

    International Nuclear Information System (INIS)

    Oh, Seunghan; Brammer, Karla S.; Moon, Kyung-Suk; Bae, Ji-Myung; Jin, Sungho

    2011-01-01

    We investigated the adhesion, proliferation and osteogenic functionality of osteoblasts cultured on titanium dioxide (TiO 2 ) nanotubes in response to different sterilization methods (dry autoclaving vs. wet autoclaving). We prepared various sizes (30-100 nm diameter) of TiO 2 nanotubes on titanium substrates by anodization, sterilized nanotubes by different conditions, and seeded osteoblast cells onto the nanotube surfaces with two different cell seeding densities (10,000 vs. 50,000 cells/well in 12-culture well). The result of this study indicates that the adhesion, proliferation and alkaline phosphatase activity of osteoblasts cultured on only the larger 70 and 100 nm TiO 2 nanotube arrays were dramatically changed by the different sterilization conditions at a low cell seeding density. However, with a higher cell seeding density (50,000 cells/well in 12-cell culture well), the results revealed no significant difference among altered nanotube geometry, 30-100 nm diameters, nor sterilization methods. Next, it was revealed that the nanofeatures of proteins adhered on nanotubular TiO 2 morphology are altered by the sterilization method. It was determined that this protein adhesion effect, in combination with the cell density of osteoblasts seeded onto such TiO 2 nanotube surfaces, has profound effects on cell behavior. This study clearly shows that these are some of the important in vitro culture factors that need to be taken into consideration, as well as TiO 2 nanotube diameters which play an important role in the improvement of cell behavior and functionality.

  19. A Simple Method to Functionalize the Surface of Plasma Electrolytic Oxidation Produced TiO2 Coatings for Growing Hydroxyapatite

    International Nuclear Information System (INIS)

    Teng, Huan-Ping; Yang, Chia-Jung; Lin, Jia-Fu; Huang, Yu-Hsin; Lu, Fu-Hsing

    2016-01-01

    Highlights: • TiO 2 coatings with porous surfaces were produced by plasma electrolytic oxidation. • Simple pre-immersion in K 2 HPO 4 could functionalize the surfaces of the TiO 2 . • Such pre-immersion enhanced substantially the growth of hydroxyapatite in SBF. • Growth mechanisms of hydroxyapatite via the pre-immersion have been proposed. • MTT assay shows great osteoblast-like cell activity on the obtained hydroxyapatite. - Abstract: Conventionally, hydrothermal treatment was often used to modify the TiO 2 surface prior to the growth of hydroxyapatite (HA) that is one of the most important implant biomaterials. In this work, a simple pre-immersion of the obtained TiO 2 in a weak base, instead of the conventionally high pressure-temperature hydrothermal pre-treatment, was conducted prior to the growth of HA. Firstly, anatase TiO 2 coatings with porous surfaces were produced by plasma electrolytic oxidation with optimized processing parameters. X-ray diffraction patterns and field-emission microscopy reveal that the anatase TiO 2 films with porous surfaces were produced by plasma electrolytic oxidation. Subsequently, the films were pre-immersed in 0.1–2 M K 2 HPO 4 solutions for only 10 min. Fourier transform infrared spectroscopy shows that the −OH functional groups were generated after such pre-immersion, which could enhance significantly the growth of a single phase of HA in simulated body fluid (SBF). Growth mechanisms of HA via the pre-immersion treatment and soaking in SBF have been proposed. Moreover, the proliferation rate and attachment of the MG-63 osteoblast cells were greatly enhanced on the obtained HA compared to that without the immersion pre-treatment from the MTT assay and morphology analyses. This simple immersion pre-treatment evidently provides an easy route for the growth of HA and has great potential for biomedical applications.

  20. Density functional theory studies of TiO2 for photocatalysis and Li storage applications

    Science.gov (United States)

    Kim, Yong-Hoon; Lee, Ji Il; Lee, Dong Ki; Lee, Gyu Heon; Kang, Jeung Ku

    We present two theory-experiment collaboration studies of anatase TiO2 for energy applications. First, we discuss a hydrogen-nitrogen co-doped TiO2 (HN-TiO2) as a photocatalyst, and show that the interstitially introduced HN contributes to the increase of solar-to-fuel conversion efficiency. We find that the variation of valence band maximum (VBM) of NH-TiO2 extends the photoactive spectrum to the visible light, and argue that created mid-gap states produce efficient electron and hole conduction channels. Next, we consider experimentally fabricated hierarchical TiO2 nanocrystals integrated with binder-free porous graphene (PG) network foam for a Li storage application. It was found that the TiO2-PG facilitated rapid ionic transfer during the Li-ion insertion/extraction process. We clarify the mechanisms by showing that Li ion migration into the TiO2-PG interface stabilize the binder-free oxide-graphene interface. Atomistic mechanism of Li ion insertion and migration is discussed by comparing cases between an isolated Li ion, when the crowding effect is included, and when the surface Li ions are present. We found that the supply of additional surface Li ions significantly reduce the Li insertion barrier, driving a spontaneous domino-like concerted Li insertion at the oxide surface region.

  1. Adsorption of H2S molecule on TiO2/Au nanocomposites: A density functional theory study

    Directory of Open Access Journals (Sweden)

    Amirali Abbasi

    2017-01-01

    Full Text Available The adsorption of hydrogen sulfide molecule on undoped and N-doped TiO2/Au nanocomposites was investigated by density functional theory (DFT calculations. The results showed that the adsorption energies of H2S on the nanocomposites follow the order of 2N doped (Ti site>N-doped (Ti site>Undoped (Ti site. The structural properties including bond lengths, angles and adsorption energies and electronic properties in view of the projected density of states (PDOSs and molecular orbitals (MOs were analyzed in detail. The results indicated that the interaction between H2S molecule and N-doped TiO2/Au nanocomposite is stronger than that between H2S and undoped nanocomposite, suggesting that N-doping helps to strengthen the interaction of H2S with TiO2/Au nanocomposite. Mulliken population analysis was conducted to analyze the charge transfer between the nanocomposite and H2S molecule. Although H2S molecule has no significant interaction with undoped nanocomposite, it tends to be strongly adsorbed on the N-doped nanocomposite. The results also suggest that the two doped nitrogen atoms in TiO2 greatly strengthen the adsorption process, being a helpful procedure to help in the design and development of improved sensor devices for H2S detection.

  2. Clarification of the interaction between Au atoms and the anatase TiO2 (112) surface using density functional theory

    Science.gov (United States)

    Tada, Kohei; Koga, Hiroaki; Okumura, Mitsutaka; Tanaka, Shingo

    2018-04-01

    A model (112) surface slab of anatase TiO2 (112) was optimized, and the adsorption of Au atoms onto the (112) surface was investigated by first-principles calculations based on DFT (density functional theory) with the generalized gradient approximation (GGA). Furthermore, the results were compared with those of Au/anatase TiO2 (101) system. The (112) surface has a ridge and a groove (zig-zag structure). The Au atoms were strongly adsorbed in the grooves but became unstable as they climbed toward the ridges, and the promotion of electrons in the 5d orbitals to the 6s and 6p orbitals in the absorbed Au atom occurred. At the Au/anatase TiO2 interface, the Au-Ti4+ coordinate bond in the (112) system is stronger than that in the (101) system because the promotion of electrons is greater in the former interaction than the latter. The results suggest that Au/anatase TiO2 catalysts with a higher dispersion of Au nanoparticles could be prepared when the (112) surface is preferentially exposed.

  3. Quantitative Measurements of Photocatalytic CO-Oxidation as a Function of Light Intensity and Wavelength over TiO2 Nanotube Thin Films in mu-Reactors

    DEFF Research Database (Denmark)

    Vesborg, Peter Christian Kjærgaard; In, Su-il; Olsen, Jacob L.

    2010-01-01

    Gas-phase photooxidation of CO over TiO2 catalysts (P25 and TiO2 nanotubes) in mu-reactors with quantitative product detection was used to study turnover as a function of illumination intensity over 4 orders of magnitude. Turnover was found to be of order 0.84 in illumination intensity. A CO phot...

  4. Bi-functional TiO2 cemented Ag grid under layer for enhancing the photovoltaic performance of a large-area dye-sensitized solar cell

    International Nuclear Information System (INIS)

    Lan Zhang; Wu Jihuai; Lin Jianming; Huang, Miaoliang

    2012-01-01

    Graphical abstract: Enhanced photovoltaic performance of large-area DSSC with conductive grids in the photo and counter electrodes. Highlights: ► TiO 2 protected Ag grids is made for using as electrode in large-area DSSC. ► The electrode has high conductivity and low internal resistance. ► TiO 2 protected Ag grids electrode avoids iodine corrosion in electrolyte. ► The TiO 2 layer also play a blocking layer role. ► Above factors enhance the photovoltaic performance of large-area DSSC. - Abstract: A bi-functional TiO 2 cemented Ag grid under layer for enhanced the photovoltaic performance of a large-area dye-sensitized solar cell (DSSC) is prepared with a simple way. The conductive printing paste contains micro-sized Ag powders and nano-sized TiO 2 cementing agent. The conductive printing paste can be well cemented on the FTO glass and form high conductive grids with Ag powders sintered together by the nano-sized TiO 2 particles. The formed conductive grid is protected with a TiO 2 thin layer and TiO 2 sol treatment to avoid the iodine corrosion. The addition of the TiO 2 cemented conductive grid can decrease the internal resistance of the large-area dye-sensitized solar cell when it is prepared in the photo and counter electrodes. Furthermore, the protecting TiO 2 thin layer and the TiO 2 sol treatment can be done on the whole area of the large-area photo electrode to both play as the blocking under layer at the same time, which can also enhance the photovoltaic performance of the large-area dye-sensitized solar cell.

  5. The Properties of Nano TiO2-Geopolymer Composite as a Material for Functional Surface Application

    Directory of Open Access Journals (Sweden)

    Syamsidar D.

    2017-01-01

    Full Text Available The aim of this study is to examine the properties of Nano TiO2-geopolymer as a material for functional surface applications such as walls, floors, bench top, arts and decoration materials. Class-C fly ash and metakaolin were used as raw materials to produce geopolymers pastes (binder. Geopolymers were synthesized through alkali activation method cured at 50°C for 2 hours using molar oxide ratios of SiO2/Al2O3 = 3.0, Na2O/SiO2 = 0.2, and H2O/Na2O = 10. Nano TiO2 was added into geopolymers paste at different concentration namely 0 wt%, 5wt%, 10wt% and 15wt % relative the weight of fly ash or metakaolin. The measurements were commenced after the samples aged 7 days. The samples made from fly ash were immersed in 1 M H2SO4 solution for 3 days for acid resistance examination. The self-cleaning properties of the composites were observed by immersing the sample into red clays solution. The X-Ray Diffraction (XRD was performed to examine the structure and phase of the samples before and after acid resistance measurement. Scanning Electron Microscopy (SEM was performed to examine the surface morphology of the resulting composites. The measurements results showed that Nano TiO2–geopolymers composite can be applied as functionally surface materials.

  6. Improvement of light harvesting and device performance of dye-sensitized solar cells using rod-like nanocrystal TiO2 overlay coating on TiO2 nanoparticle working electrode

    International Nuclear Information System (INIS)

    Liu, Xueyang; Fang, Jian; Gao, Mei; Wang, Hongxia; Yang, Weidong; Lin, Tong

    2015-01-01

    Novel TiO 2 single crystalline nanorods were synthesized by electrospinning and hydrothermal treatment. The role of the TiO 2 nanorods on TiO 2 nanoparticle electrode in improvement of light harvesting and photovoltaic properties of dye-sensitized solar cells (DSSCs) was examined. Although the TiO 2 nanorods had lower dye loading than TiO 2 nanoparticle, they showed higher light utilization behaviour. Electron transfer in TiO 2 nanorods received less resistance than that in TiO 2 nanoparticle aggregation. By just applying a thin layer of TiO 2 nanorods on TiO 2 nanoparticle working electrode, the DSSC device light harvesting ability and energy conversion efficiency were improved significantly. The thickness of the nanorod layer in the working electrode played an important role in determining the photovoltaic property of DSSCs. An energy conversion efficiency as high as 6.6% was found on a DSSC device with the working electrode consisting of a 12 μm think TiO 2 nanoparticle layer covered with 3 μm thick TiO 2 nanorods. The results obtained from this study may benefit further design of highly efficient DSSCs. - Highlights: • Single crystalline TiO 2 nanorods were prepared for DSSC application. • TiO 2 nanorods show effective light scattering performance. • TiO 2 nanorods have higher electron transfer efficiency than TiO 2 nanoparticles. • TiO 2 nanorods on TiO 2 nanoparticle electrode improve DSSC efficiency

  7. Synthesis, Characterization, and Photocatalytic Activity of TiO2 Microspheres Functionalized with Porphyrin

    Directory of Open Access Journals (Sweden)

    Jin-Hua Cai

    2012-01-01

    Full Text Available In order to utilize visible light more efficiently in the photocatalytic reaction, TiO2 microspheres sensitized by 5-(4-allyloxyphenyl-10,15,20-tri(4-methylphenylporphyrin (APTMPP were prepared and characterized by X-ray diffraction (XRD, X-ray photoelectron spectroscopy (XPS, nitrogen physisorption, scanning electron microscopy (SEM, Fourier transform infrared spectroscopy (FT-IR and UV-vis diffuse reflectance spectroscopy, and so forth, The characterization results indicated that APTMPP-MPS-TiO2 was composed of the anatase crystal phase. The morphology of the composite materials was spheriform with size of 0.3–0.7 μm and the porphyrin was chemisorbed on the surface of TiO2 through a Si–O–Ti bond. The photooxidation of α-terpinene was employed as the model reaction to evaluate the photocatalytic activity of APTMPP-MPS-TiO2 microspheres under visible light. The results indicated that the photodegradation of α-terpinene was significantly enhanced in the presence of the APTMPP-MPS-TiO2 compared with the nonmodified TiO2 under visible light.

  8. Electron microscopy observation of TiO2 nanocrystal evolution in high-temperature atomic layer deposition.

    Science.gov (United States)

    Shi, Jian; Li, Zhaodong; Kvit, Alexander; Krylyuk, Sergiy; Davydov, Albert V; Wang, Xudong

    2013-01-01

    Understanding the evolution of amorphous and crystalline phases during atomic layer deposition (ALD) is essential for creating high quality dielectrics, multifunctional films/coatings, and predictable surface functionalization. Through comprehensive atomistic electron microscopy study of ALD TiO2 nanostructures at designed growth cycles, we revealed the transformation process and sequence of atom arrangement during TiO2 ALD growth. Evolution of TiO2 nanostructures in ALD was found following a path from amorphous layers to amorphous particles to metastable crystallites and ultimately to stable crystalline forms. Such a phase evolution is a manifestation of the Ostwald-Lussac Law, which governs the advent sequence and amount ratio of different phases in high-temperature TiO2 ALD nanostructures. The amorphous-crystalline mixture also enables a unique anisotropic crystal growth behavior at high temperature forming TiO2 nanorods via the principle of vapor-phase oriented attachment.

  9. Adsorption and oxidation of oxalic acid on anatase TiO2 (001) surface: A density functional theory study.

    Science.gov (United States)

    Sun, Tao; Wang, Yun; Zhang, Haimin; Liu, Porun; Zhao, Huijun

    2015-09-15

    Anatase TiO2 (001) surfaces have attracted great interest for photo-degradation of organic species recently due to their high reactivity. In this work, adsorption properties and oxidation mechanisms of oxalic acid on the anatase TiO2 (001) surface have been theoretically investigated using the first-principles density functional theory. Various possible adsorption configurations are considered by diversifying the connectivity of carboxylic groups with the surface. It is found that the adsorption of oxalic acid on the anatase (001) surface prefer the dissociative states. A novel double-bidentate configuration has been found due to the structural match between oxalic acid and the (001) surface. More charge is transferred from the adsorbed oxalic acid to the surface with the double-bidentate configuration when comparing with other adsorption structures. Thus, there is a positive correlation relationship between the transferred charge amount and the interfacial bond numbers when oxalic acid adsorbs on the anatase TiO2 (001) surface. The adsorption energies with dispersion corrections have demonstrated that the van der Waals interactions play an important role in the adsorption, especially when adsorbates are close to the surface. Copyright © 2015 Elsevier Inc. All rights reserved.

  10. Density functional theory study of atomic and electronic properties of defects in reduced anatase TiO2 nanocrystals

    Directory of Open Access Journals (Sweden)

    Kazuki Morita

    2018-03-01

    Full Text Available Anatase TiO2 nanocrystals have received considerable attention owing to their promising applications in photocatalysis, photovoltaics, and fuel cells. Although experimental evidence has shown that the performance of nanocrystals can be significantly improved through reduction, the mechanistic basis of this enhancement remains unclear. To shed a light on the chemistry of reduced anatase TiO2 nanocrystals, density functional theory were used to investigate the properties of defects and excess electrons. We demonstrated that oxygen vacancies are stable both on the surface and at the sub-surface of the nanocrystal, while titanium interstitials prefer sub-surface sites. Different defect locations possessed different excess electron structures, which contributed to deep and shallow states in the band gap of the nanocrystals. Furthermore, valence band tailing was observed, resulting in band gap narrowing. The theoretical results presented here deepen our understanding, and show the potential of defects to considerably change the macroscopic properties of anatase TiO2 nanocrystals.

  11. Function of TiO2 Lattice Defects toward Photocatalytic Processes: View of Electronic Driven Force

    Directory of Open Access Journals (Sweden)

    Huanan Cui

    2013-01-01

    Full Text Available Oxygen vacancies and Ti-related defects (OTDs are the main lattice defects of TiO2, which have great influence on its photocatalytic activity. To understand the relationship between the defects and photocatalytic activities, detailed discussions based on the electronic driven force provided by these defects are carried out during the three commonly accepted processes in photocatalytic reactions. It is found that these defects inevitably (i influence the energy structure of the pristine TiO2 as the isolate acceptor/donor level or hybrid with the original orbital, (ii provide a disordered short-range force that confuses the charge carriers transferring to surface active sites, (iii act not only as the surface active sites for trapping the charge carriers but also as the main chemisorption sites for O2, H2O, and organic species. These effects of the defects make them one of the key factors that determine the efficiency of heterogeneous photocatalysis. Clarifying the role of the defects will further facilitate the exploration and the construction of high-performance photocatalysts for practical applications.

  12. Study on activities of vanadium (IV/V) doped TiO2(R) nanorods induced by UV and visible light

    International Nuclear Information System (INIS)

    Li, Li; Liu Chunyan; Liu Yun

    2009-01-01

    Vanadium (IV/V) doped rutile TiO 2 naonorods had been successfully synthesized through a single step hydrothermal method. The photocatalyst was characterized by transmission electron microscopy (TEM), selected area electron diffraction (SAED), high-resolution transmission electron microscopy (HRTEM), X-ray diffraction (XRD), UV-vis diffusive reflectance spectroscopy (DRS) and X-ray photoelectron spectroscopy (XPS). The results showed that the doping of V ions had significant influence on the band gap energy and the surface state of TiO 2 . The photo-activities of the new catalysts were investigated under ultraviolet (UV) and visible light. The UV-photocatalytic activity of the as-prepared catalysts was hardly influenced by doping V ions; while under visible light, the samples with 1 wt% and 0.1 wt% V exhibited enhanced activity to the oxidation of methylene blue (MB) and the reduction of Cr (VI), respectively

  13. Spherical anatase TiO2 covered with nanospindles as dual functional scatters for dye-sensitized solar cells

    International Nuclear Information System (INIS)

    Xue, Xiaopan; Tian, Jianhua; Liao, Wenming; Shan, Zhongqiang

    2014-01-01

    Highlights: • Spherical anatase TiO 2 covered with nanospindles (SNS) were employed in DSSCs. • SNS possess the dual functions of light scattering and high dye loading. • SNS were fabricated through a facile hydrothermal treatment of the precursors. • Precursors were synthesized by controlled hydrolysis of TBT after being diluted. • The cells based on SNS-18/P25 photoanode exhibited advanced performance. - Abstract: Spherical anatase TiO 2 covered with nanospindles (SNS) were fabricated through a facile hydrothermal treatment of precursors in the presence of ammonia. The precursors were synthesized by controlling hydrolysis rate of TBT (tetrabutyl titanate) in ethanol. Organic structure directing agents and toxic reagents were avoided in the two–step process. By scanning electron microscopy (SEM), transmission electron microscopy (TEM) and X-ray diffraction (XRD), it is confirmed that the morphology and structure of the products can be controlled by adjusting hydrothermal treatment conditions. Time dependent trails revealed the growth mechanism of SNS, which indicating that ammonia can not only retard the dissolution of precursors but also make TiO 2 grow selectively along the direction. Furthermore, photocurrent-potential (I-V) curves show that the solar cells fabricated with the SNS collected after 18 h hydrothermal treatment (SNS-18) exhibit the highest solar energy conversion efficiency. The efficiency is improved by 24.5% compared with that of the cells fabricated with pure P25. Based on the UV-Vis spectrum, nitrogen sorption and IPCE analysis, the improved performance can be attributed to the enhanced scattering and increased active sites for dye loading. Therefore, the dual functions of light scattering and many active sites for dye loading make SNS superior candidates for DSSCs

  14. Selective adsorption of bovine hemoglobin on functional TiO2 nano-adsorbents: surface physic-chemical properties determined adsorption activity

    Science.gov (United States)

    Guo, Shiguang; Zhang, Jianghua; Shao, Mingxue; Zhang, Xia; Liu, Yufeng; Xu, Junli; Meng, Hao; Han, Yide

    2015-04-01

    Surface functionalized nanoparticles are efficient adsorbents which have shown good potential for protein separation. In this work, we chose two different types of organic molecules, oleic acid (OA) and 3-glycidoxypropyltrimethoxy silane (GPTMS), to functionalize the surface of TiO2 nanoparticles, and we studied the effects of this modification on their surface physicochemical properties in correlation with their selective adsorption of proteins. The results showed that the surface zeta potential and the surface water wettability of the modified TiO2 were significantly changed in comparison with the original TiO2 nanoparticles. The adsorption activities of bovine hemoglobin (BHb) and bovine serum albumin (BSA) on these functionalized TiO2 samples were investigated under different conditions, including pH values, contact time, ion strength, and initial protein concentration. In comparison with the non-specific adsorption of original TiO2, however, both the OA-TiO2 and GPTMS-TiO2 exhibited increased BHb adsorption and decreased BSA adsorption at the same time. Using a binary protein mixture as the adsorption object, a higher separation factor (SF) was obtained for OA-TiO2 under optimum conditions. The different adsorption activities of BHb and BSA on the modified TiO2 were correlated with different interactions at the protein/solid interface, and the chemical force as well as the electrostatic force played an important role in the selective adsorption process.

  15. Deliberate Design of TiO2 Nanostructures towards Superior Photovoltaic Cells.

    Science.gov (United States)

    Sun, Ziqi; Liao, Ting; Sheng, Liyuan; Kou, Liangzhi; Kim, Jung Ho; Dou, Shi Xue

    2016-08-01

    TiO2 nanostructures are being sought after as flexibly utilizable building blocks for the fabrication of the mesoporous thin-film photoelectrodes that are the heart of the third-generation photovoltaic devices, such as dye-sensitized solar cells (DSSCs), quantum-dot-sensitized solar cells (QDSSCs), and the recently promoted perovskite-type solar cells. Here, we report deliberate tailoring of TiO2 nanostructures for superior photovoltaic cells. Morphology engineering of TiO2 nanostructures is realized by designing synthetic protocols in which the precursor hydrolysis, crystal growth, and oligomer self-organization are precisely controlled. TiO2 nanostructures in forms varying from isolated nanocubes, nanorods, and cross-linked nanorods to complex hierarchical structures and shape-defined mesoporous micro-/nanostructures were successfully synthesized. The photoanodes made from the shape-defined mesoporous TiO2 microspheres and nanospindles presented superior performances, owing to the well-defined overall shapes and the inner ordered nanochannels, which allow not only a high amount of dye uptake, but also improved visible-light absorption. This study provides a new way to seek an optimal synthetic protocol to meet the required functionality of the nanomaterials. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Effective dielectric function of TiO2 nanoparticles under laser pumping in the fundamental absorption band

    Science.gov (United States)

    Zimnyakov, D. A.; Yuvchenko, S. A.

    2017-06-01

    A nonlinear optical response of TiO2 nanoparticles under pumping by 355-nm laser radiation is experimentally investigated. Using the data obtained by z-scanning with simultaneous measurement of the scattering intensity, the effective permittivity of particles is reconstructed as a function of the pump intensity. It is found that graphical mapping of the relationship between the real and imaginary parts of the permittivity can be obtained using an affine transformation of a similar map of the frequency-dependent dielectric function for the Lorentz model. It is shown that an increase in the pump intensity should lead to a red shift of the absorption maximum of nanoparticles and a rise in the plasma frequency, which is estimated (using a single-oscillator Lorenz model) from the obtained values of the real and imaginary parts of the effective permittivity for the probe radiation wavelength in use.

  17. High Photocatalytic Activity of Fe3O4-SiO2-TiO2 Functional Particles with Core-Shell Structure

    Directory of Open Access Journals (Sweden)

    Chenyang Xue

    2013-01-01

    Full Text Available This paper describes a novel method of synthesizing Fe3O4-SiO2-TiO2 functional nanoparticles with the core-shell structure. The Fe3O4 cores which were mainly superparamagnetic were synthesized through a novel carbon reduction method. The Fe3O4 cores were then modified with SiO2 and finally encapsulated with TiO2 by the sol-gel method. The results of characterizations showed that the encapsulated 700 nm Fe3O4-SiO2-TiO2 particles have a relatively uniform size distribution, an anatase TiO2 shell, and suitable magnetic properties for allowing collection in a magnetic field. These magnetic properties, large area, relative high saturation intensity, and low retentive magnetism make the particles have high dispersibility in suspension and yet enable them to be recovered well using magnetic fields. The functionality of these particles was tested by measuring the photocatalytic activity of the decolouring of methyl orange (MO and methylene blue (MB under ultraviolet light and sunlight. The results showed that the introduction of the Fe3O4-SiO2-TiO2 functional nanoparticles significantly increased the decoloration rate so that an MO solution at a concentration of 10 mg/L could be decoloured completely within 180 minutes. The particles were recovered after utilization, washing, and drying and the primary recovery ratio was 87.5%.

  18. Effect of RGD Peptide-Coated TiO2 Nanotubes on the Attachment, Proliferation, and Functionality of Bone-Related Cells

    Directory of Open Access Journals (Sweden)

    Seunghan Oh

    2013-01-01

    Full Text Available The purpose of this research was to characterize an Arg-Gly-Asp (RGD peptide immobilized on TiO2 nanotubes. In addition, we investigated the effects of the RGD peptide-coated TiO2 nanotubes on the cellular response, proliferation, and functionality of osteogenic-induced human mesenchymal stem cells (hMSCs, which are osteoclasts that have been induced by bone marrow macrophages. The RGD peptide was grafted covalently onto the surface of TiO2 nanotubes based on the results of SEM, FT-IR, and XPS. Furthermore, the RGD peptide promoted the initial attachment and proliferation of the hMSCs, regardless of the size of the TiO2 nanotubes. However, the RGD peptide did not prominently affect the osteogenic functionality of the hMSCs because the peptide suppressed hMSC motility associated with osteogenic differentiation. The result of an in vitro osteoclast test showed that the RGD peptide accelerated the initial attachment of preosteoclasts and the formation of mature osteoclasts, which could resorb the bone matrix. Therefore, we believe that an RGD coating on TiO2 nanotubes synthesized on Ti implants might not offer significant acceleration of bone formation in vivo because osteoblasts and osteoclasts reside in the same compartment.

  19. Guided proliferation and bone-forming functionality on highly ordered large diameter TiO2 nanotube arrays

    International Nuclear Information System (INIS)

    Zhang, Ruopeng; Wu, Hongliu; Ni, Jiahua; Zhao, Changli; Chen, Yifan; Zheng, Chengjunyi; Zhang, Xiaonong

    2015-01-01

    The significantly enhanced osteoblast adhesion, proliferation and alkaline phosphatase (ALP) activity were observed on TiO 2 nanotube surface in recent studies in which the scale of nanotube diameter was restricted under 100 nm. In this paper, a series of highly ordered TiO 2 nanotube arrays with larger diameters ranging from 150 nm to 470 nm were fabricated via high voltage anodization. The behaviors of MC3T3-E1 cells in response to the diameter-controlled TiO 2 nanotubes were investigated. A contrast between the trend of proliferation and the trend of cell elongation was observed. The highest cell elongation (nearly 10:1) and the lowest cell number were observed on the TiO 2 nanotube arrays with 150 nm diameter. While, the lowest cell elongation and highest cell number were achieved on the TiO 2 nanotube arrays with 470 nm diameter. Furthermore, the ALP activity peaked on the 150 nm diameter TiO 2 nanotube arrays and decreased dramatically with the increase of nanotube diameter. Thus a narrow range of diameter (100–200 nm) that could induce the greatest bone-forming activity is determined. It is expected that more delicate design of orthopedic implant with regional abduction of cell proliferation or bone forming could be achieved by controlling the diameter of TiO 2 nanotubes. - Highlights: • Improved anodization methods leading to more ordered large diameter TiO 2 nanotubes • Significantly enhanced ALP activity was observed on 150 nm diameter TiO 2 nanotubes. • The highest cell density was observed on 470 nm diameter TiO 2 nanotube arrays. • Similar cell response was observed on the amorphous and anatase phased nanotube surface

  20. Study on plasma pre-functionalized PVC film grafted with TiO2/PVP to improve blood compatible and antibacterial properties

    International Nuclear Information System (INIS)

    Suganya, Arjunan; Shanmugavelayutham, Gurusamy; Rodríguez, Carmen Serra

    2017-01-01

    Research into the design of new biopolymers/polymer functionalized with nanoparticles is of tremendous interest to the medical sector, particularly with regard to blood-contacting devices. In this present study, a steady blood compatible and active antibacterial coating was fabricated by the grafting of titanium dioxide (TiO 2 )/polyvinylpyyrolidone (PVP) onto a polyvinyl chloride (PVC) film surface via the direct-current glow discharge plasma method. To enhance the chemical interaction between TiO 2 /PVP and PVC, the surfaces of the PVC films were functionalized by different plasmas (air, argon, and oxygen) before coating. In this study, the plasma parameters were varied, such as treatment time of about 5–20 min for a constant power of 100 W, potential 300 V, and a constant gas pressure of 2 Pa for air, argon, and oxygen gas environment. Then, the different plasma treatments on the PVC films, TiO 2 /PVP were grafted using a simple dip-coating method. In addition, the TiO 2 /PVP-grafted PVC films were characterized by contact angle, attenuated total reflectance Fourier transform infrared spectroscopy, field-emission scanning electron microscope, and x-ray photo electron spectroscopy. Importantly, TiO 2 /PVP is grafted onto the PVC surface due to the plasma-based retained functionality and demonstrates adhesive efficiency, which was observed by XPS. The bio-stability of the TiO 2 /PVP-modified PVC film was evaluated by in vitro platelet activation analysis and protein adsorption analysis. Then, the antibacterial properties were evaluated by the agar diffusion method against Escherichia coli . The result reveals that the grafting of TiO 2 /PVP was slightly higher for the 15 min oxygen plasma-functionalized PVC, which significantly decreases the platelet adhesion and protein adsorption. Moreover, the antibacterial properties of the 15 min oxygen plasma-functionalized PVC with TiO 2 /PVP-grafted film is also greatly improved compared with an air- and argon-functionalized

  1. Development of Multi-functional Properties on Cotton Fabric by In Situ Application of TiO2 and ZnO Nanoparticles

    Science.gov (United States)

    Butola, B. S.; Garg, Aayush; Garg, Aman; Chauhan, Indu

    2018-06-01

    Cotton fabrics functionalized with different combinations of TiO2 and ZnO were evaluated for multifunctional properties including UV protection, antimicrobial and self-cleaning. The ZnO nanoparticles synthesized using sol gel method were applied on cotton fabric by pad-dry-cure method and TiO2 was deposited in situ. The deposition of both TiO2 and ZnO was examined and confirmed by SEM and EDX analysis. Application of both metal oxides resulted in good improvement in UV protection of treated fabrics. The fabrics which were finished with combination of both Zinc and Titanium oxides, showed UPF rating of 50+ as compared to UPF rating of untreated cotton, which was only 5. The same fabrics also showed higher self-cleaning extent as compared to untreated cotton fabric. It was found that the sequence of application of ZnO and TiO2 affected the antimicrobial activity of the finished fabric and also the durability. When application of TiO2 was followed by ZnO, the combination resulted in development of excellent antimicrobial property against Escherichia coli ( 99% colony reduction) which was retained after 10 wash cycles. However, when application of ZnO nanoparticles was followed by application of TiO2, the improvement in antimicrobial activity was found to be moderate ( 48% colony reduction) and had poor wash durability. Hence, the specific sequence of application of these metals oxides can be utilized for obtaining good durability of the multifunctional properties on cotton fabric.

  2. Development of Multi-functional Properties on Cotton Fabric by In Situ Application of TiO2 and ZnO Nanoparticles

    Science.gov (United States)

    Butola, B. S.; Garg, Aayush; Garg, Aman; Chauhan, Indu

    2018-05-01

    Cotton fabrics functionalized with different combinations of TiO2 and ZnO were evaluated for multifunctional properties including UV protection, antimicrobial and self-cleaning. The ZnO nanoparticles synthesized using sol gel method were applied on cotton fabric by pad-dry-cure method and TiO2 was deposited in situ. The deposition of both TiO2 and ZnO was examined and confirmed by SEM and EDX analysis. Application of both metal oxides resulted in good improvement in UV protection of treated fabrics. The fabrics which were finished with combination of both Zinc and Titanium oxides, showed UPF rating of 50+ as compared to UPF rating of untreated cotton, which was only 5. The same fabrics also showed higher self-cleaning extent as compared to untreated cotton fabric. It was found that the sequence of application of ZnO and TiO2 affected the antimicrobial activity of the finished fabric and also the durability. When application of TiO2 was followed by ZnO, the combination resulted in development of excellent antimicrobial property against Escherichia coli ( 99% colony reduction) which was retained after 10 wash cycles. However, when application of ZnO nanoparticles was followed by application of TiO2, the improvement in antimicrobial activity was found to be moderate ( 48% colony reduction) and had poor wash durability. Hence, the specific sequence of application of these metals oxides can be utilized for obtaining good durability of the multifunctional properties on cotton fabric.

  3. Silicon surface passivation by PEDOT: PSS functionalized by SnO2 and TiO2 nanoparticles.

    Science.gov (United States)

    García-Tecedor, M; Karazhanov, S Zh; Vásquez, G C; Haug, H; Maestre, D; Cremades, A; Taeño, M; Ramírez-Castellanos, J; González-Calbet, J M; Piqueras, J; You, C C; Marstein, E S

    2018-01-19

    In this paper, we present a study of silicon surface passivation based on the use of spin-coated hybrid composite layers. We investigate both undoped poly(3,4-ethylenedioxythiophene)/poly-(styrenesulfonate) (PEDOT:PSS), as well as PEDOT:PSS functionalized with semiconducting oxide nanomaterials (TiO 2 and SnO 2 ). The hybrid compound was deposited at room temperature by spin coating-a potentially lower cost, lower processing time and higher throughput alternative compared with the commonly used vacuum-based techniques. Photoluminescence imaging was used to characterize the electronic properties of the Si/PEDOT:PSS interface. Good surface passivation was achieved by PEDOT:PSS functionalized by semiconducting oxides. We show that control of the concentration of semiconducting oxide nanoparticles in the polymer is crucial in determining the passivation performance. A charge carrier lifetime of about 275 μs has been achieved when using SnO 2 nanoparticles at a concentration of 0.5 wt.% as a filler in the composite film. X-ray diffraction (XRD), scanning electron microscopy, high resolution transmission electron microscopy (HRTEM), energy dispersive x-ray in an SEM, and μ-Raman spectroscopy have been used for the morphological, chemical and structural characterization. Finally, a simple model of a photovoltaic device based on PEDOT:PSS functionalized with semiconducting oxide nanoparticles has been fabricated and electrically characterized.

  4. 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.

  5. Human health no-effect levels of TiO_2 nanoparticles as a function of their primary size

    International Nuclear Information System (INIS)

    Laurent, Alexis; Harkema, Jack R.; Andersen, Elisabeth W.; Owsianiak, Mikołaj; Vea, Eldbjørg B.; Jolliet, Olivier

    2017-01-01

    As engineered nanomaterials are increasingly introduced on the market into a broad range of commodities or nanoproducts, there is a need for operational, reliable tool, enabling to consistently assess the risks and impacts associated with the releases of nanoparticles. The lack of a developed metric that accurately represents their toxic effects while capturing the influence of the most relevant physicochemical properties is one of the major impediments. Here, we investigate the relationships between the toxic responses of nano-sized and micro-sized particles in in vivo toxicological studies and their physicochemical properties. Our results for TiO_2 particles indicate statistically significant associations between the primary particle size and their toxicity responses for combined inhalation and ingestion exposure routes, although the numerical values should be considered with care due to the inability to encompass influences from other relevant physicochemical properties like surface coatings. These findings allow for expressing mass-based adverse effect levels as a continuous function of the primary size of particles. This meaningful, exploratory metric can thus be used for screening purposes and pave the way for reaching adaptive, robust risk assessments of nanomaterials, e.g. for setting up consistent threshold levels, as well as consistent life cycle assessments of nanoproducts. We provide examples of such applications.

  6. Locating structures and evolution pathways of reconstructed rutile TiO2(011) using genetic algorithm aided density functional theory calculations.

    Science.gov (United States)

    Ding, Pan; Gong, Xue-Qing

    2016-05-01

    Titanium dioxide (TiO2) is an important metal oxide that has been used in many different applications. TiO2 has also been widely employed as a model system to study basic processes and reactions in surface chemistry and heterogeneous catalysis. In this work, we investigated the (011) surface of rutile TiO2 by focusing on its reconstruction. Density functional theory calculations aided by a genetic algorithm based optimization scheme were performed to extensively sample the potential energy surfaces of reconstructed rutile TiO2 structures that obey (2 × 1) periodicity. A lot of stable surface configurations were located, including the global-minimum configuration that was proposed previously. The wide variety of surface structures determined through the calculations performed in this work provide insight into the relationship between the atomic configuration of a surface and its stability. More importantly, several analytical schemes were proposed and tested to gauge the differences and similarities among various surface structures, aiding the construction of the complete pathway for the reconstruction process.

  7. Solvothermal preparation of micro/nanostructured TiO_2 with enhanced lithium storage capability

    International Nuclear Information System (INIS)

    Li, Jie; Wang, Chao; Zheng, Ping; Zhang, Lei; Chen, Gongxuan; Tang, Chengchun; Wu, Tian

    2017-01-01

    Facile and controllable preparation of TiO_2 is of prime importance to elaborately tailor and then fully exploit its intriguing functionalities in energy storage, catalysis and environmental remediation. Herein, a solvothermal method combined with post annealing is conducted, in which the hydrolysis of tetrabutyl titanate is controlled by the in-situ generated water during solvothermal treatment. By controlling synthetic conditions (i.e. reactant ratio, solvothermal temperature and reaction time), we manage to tailor the morphologies of TiO_2. Specially, three typical structures (nanoparticle, nanoneedle and nanorod) are studied to reveal the growth mechanism and the effects of the synthesis conditions. Nanoneedle-structured TiO_2 shows higher specific capacity and enhanced cycle stability as anode material for lithium ion batteries. - Highlights: • Controllable preparation of nano-TiO_2 is achieved by a solvothermal method. • TiO_2 morphology is tailored by tuning reactant ratio, temperature and duration. • Needle structured TiO_2 shows enhanced lithium storage capability.

  8. TiO2 brookite nanostructured thin layer on magneto-optical surface plasmon resonance transductor for gas sensing applications

    Science.gov (United States)

    Manera, M. G.; Colombelli, A.; Rella, R.; Caricato, A.; Cozzoli, P. D.; Martino, M.; Vasanelli, L.

    2012-09-01

    The sensing performance comparisons presented in this work were carried out by exploiting a suitable magneto-plasmonic sensor in both the traditional surface plasmon resonance configuration and the innovative magneto-optic surface plasmon resonance one. The particular multilayer transducer was functionalized with TiO2 Brookite nanorods layers deposited by matrix assisted pulsed laser evaporation, and its sensing capabilities were monitored in a controlled atmosphere towards different concentrations of volatile organic compounds mixed in dry air.

  9. Application of the Functional Theory in studying the adsorption of carbon monoxide on the TiO2 rutile surface of 110, defected surface and the surface modified by some metallic ions

    International Nuclear Information System (INIS)

    Le Kim Long; Phung Manh Quan; Tran Thi Thanh Van

    2012-01-01

    Density functional theory (DFT) is used to investigate properties of TiO 2 (110) surface with defects and metal-doped TiO 2 . The results of our calculations of structure of TiO 2 surface have been shown in good agreement with those of experiments and other ab-initio calculations. The differences of band structure between TiO 2 (110) and TiO 2 surface defected show that visible light can excite surface with defects easily. We also investigate density of states (DOS) of metal-doped surface (Li, Ca, Sc, V, Mo, Mn, Fe, Co, Ni) and find that the Mo-doped surface has very small band gap (∼ 0 eV). This surface may have higher photo-chemical activity in visible light. (author)

  10. Solution-processed all-oxide bulk heterojunction solar cells based on CuO nanaorod array and TiO2 nanocrystals

    Science.gov (United States)

    Wu, Fan; Qiao, Qiquan; Bahrami, Behzad; Chen, Ke; Pathak, Rajesh; Tong, Yanhua; Li, Xiaoyi; Zhang, Tiansheng; Jian, Ronghua

    2018-05-01

    We present a method to synthesize CuO nanorod array/TiO2 nanocrystals bulk heterojunction (BHJ) on fluorine-tin-oxide (FTO) glass, in which single-crystalline p-type semiconductor of the CuO nanorod array is grown on the FTO glass by hydrothermal reaction and the n-type semiconductor of the TiO2 precursor is filled into the CuO nanorods to form well-organized nano-interpenetrating BHJ after air annealing. The interface charge transfer in CuO nanorod array/TiO2 heterojunction is studied by Kelvin probe force microscopy (KPFM). KPFM results demonstrate that the CuO nanorod array/TiO2 heterojunction can realize the transfer of photo-generated electrons from the CuO nanorod array to TiO2. In this work, a solar cell with the structure FTO/CuO nanoarray/TiO2/Al is successfully fabricated, which exhibits an open-circuit voltage (V oc) of 0.20 V and short-circuit current density (J sc) of 0.026 mA cm‑2 under AM 1.5 illumination. KPFM studies indicate that the very low performance is caused by an undesirable interface charge transfer. The interfacial surface potential (SP) shows that the electron concentration in the CuO nanorod array changes considerably after illumination due to increased photo-generated electrons, but the change in the electron concentration in TiO2 is much less than in CuO, which indicates that the injection efficiency of the photo-generated electrons from CuO to TiO2 is not satisfactory, resulting in an undesirable J sc in the solar cell. The interface photovoltage from the KPFM measurement shows that the low V oc results from the small interfacial SP difference between CuO and TiO2 because the low injected electron concentration cannot raise the Fermi level significantly in TiO2. This conclusion agrees with the measured work function results under illumination. Hence, improvement of the interfacial electron injection is primary for the CuO nanorod array/TiO2 heterojunction solar cells.

  11. Interfacial enhancement of carbon fiber composites by growing TiO2 nanowires onto amine-based functionalized carbon fiber surface in supercritical water

    Science.gov (United States)

    Ma, Lichun; Li, Nan; Wu, Guangshun; Song, Guojun; Li, Xiaoru; Han, Ping; Wang, Gang; Huang, Yudong

    2018-03-01

    A novel amine-based functionalization method was developed to improve the interfacial adhesion between TiO2 NWs and CFs in supercritical water. The microstructure, morphology and mechanical properties of CFs were investigated. It was found that introducing hexamethylenetetramine (HMTA) dendrimers and branched polyethyleneimine (PEI) on CF could increase significantly the adhesion strength between CF and TiO2 NWs and their interfacial shear strength with epoxy resin, and the order is CF-PEI-TiO2 NWs > CF-HMTA-TiO2 NWs > CF-COOH-TiO2 NWs > CF-TiO2 NW. Meanwhile, the reinforcing mechanisms and interfacial failure modes have also been discussed. We believe that these effective methods may provide theoretical foundation for the preparation of high performance composite materials.

  12. Towards the development of a novel bioinspired functional material: synthesis and characterization of hybrid TiO2/DHICA-melanin nanoparticles.

    Science.gov (United States)

    Pezzella, Alessandro; Capelli, Luigia; Costantini, Aniello; Luciani, Giuseppina; Tescione, Fabiana; Silvestri, Brigida; Vitiello, Giuseppe; Branda, Francesco

    2013-01-01

    A large number of recent literature data focus on modification/modulation of surface chemistry of inorganic materials in order to improve their functional properties. Melanins, a wide class of natural pigments, are recently emerging as a powerful organic component for developing bioinspired active material for a large number of applications from organoelectronics to bioactive compounds. Here we report the use of the approach referred as "chimie douce", involving in situ formation of the hybrids through reactions of precursors under mild conditions, to prepare novel hybrid functional architectures based on eumelanin like 5,6 dihydroxyindole-2-carboxylic acid (DHICA) polymer and TiO2. Two synthesis procedures were carried out to get DHICA-melanin coated TiO2 nanoparticles as well as mixed DHICA/TiO2 hybrid nanostructures. Such systems were characterized through EPR, FT-IR and fluorescence spectroscopy, thermogravimetric analysis (TGA), X-ray diffraction (XRD), and TEM microscopy in order to assess the effect of synthesis path as well as of DHICA content on structural, morphological and optical properties of TiO2 nanostructures. In particular, EPR, FT-IR spectra and TGA analysis confirmed the presence of DHICA-melanin in these samples. TEM measurements indicated the formation of the nanoparticles having relatively narrow size distribution with average particle size of about 10nm. DHICA-melanin does act as a morphological agent affecting morphology of hybrid nanostructures. XRD analysis proved that TiO2 hybrid nanoparticles kept anatase structures for DHICA-melanin contents within the range of investigated compositions, i.e. up to 50% wt/wt. Copyright © 2012 Elsevier B.V. All rights reserved.

  13. Study of titania nanorod films deposited by matrix-assisted pulsed laser evaporation as a function of laser fluence

    Science.gov (United States)

    Caricato, A. P.; Belviso, M. R.; Catalano, M.; Cesaria, M.; Cozzoli, P. D.; Luches, A.; Manera, M. G.; Martino, M.; Rella, R.; Taurino, A.

    2011-11-01

    Chemically synthesized brookite titanium dioxide (TiO2) nanorods with average diameter and length dimensions of 3-4 nm and 35-50 nm, respectively, were deposited by the matrix-assisted pulsed laser evaporation technique. A toluene nanorod solution was frozen at the liquid-nitrogen temperature and irradiated with a KrF excimer laser ( λ=248 nm, τ=20 ns) at the repetition rate of 10 Hz, at different fluences (25 to 350 mJ/cm2). The deposited films were structurally characterized by high-resolution scanning and transmission electron microscopy. single-crystal Si wafers and carbon-coated Cu grids were used as substrates. Structural analyses evidenced the occurrence of brookite-phase crystalline nanospheres coexisting with individually distinguishable TiO2 nanorods in the films deposited at fluences varying from 50 to 350 mJ/cm2. Nanostructured TiO2 films comprising only nanorods were deposited by lowering the laser fluence to 25 mJ/cm2. The observed shape and phase transitions of the nanorods are discussed taking into account the laser-induced heating effects, reduced melting temperature and size-dependent thermodynamic stability of nanoscale TiO2.

  14. Catalytic oxidation of 1,2-DCBz over V2O5/TiO2-CNTs: effect of CNT diameter and surface functional groups.

    Science.gov (United States)

    Du, Cuicui; Wang, Qiulin; Peng, Yaqi; Lu, Shengyong; Ji, Longjie; Ni, Mingjiang

    2017-02-01

    A series of V 2 O 5 /TiO 2 -carbon nanotube (CNT) catalysts were prepared and tested to decompose gaseous 1,2-dichlorobenzene (1,2-DCBz). Several physicochemical methods, including nitrogen adsorption, scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and H 2 temperature-programmed reduction (TPR) were employed to characterise their physicochemical properties. To better understand the effect of CNT properties on the reactivity of V 2 O 5 /TiO 2 -CNT catalysts, the 1,2-DCBz residue remaining in the off-gas and on the catalyst surface were both collected and analysed. The results indicate that the outer diameter and the surface functional groups (hydroxide radical and carboxyl) of CNTs significantly influence upon the catalytic activity of CNT-containing V 2 O 5 /TiO 2 catalysts: the CNT outer diameter mainly affects the aggregation of CNTs and the π-π interaction between the benzene ring and CNTs, while the introduction of -OH and -COOH groups by acid treatment can further enlarge specific surface area (SSA) and contribute to a higher average oxidation state of vanadium (V aos ) and supplemental surface chemisorbed oxygen (O ads ). In addition, the enhanced mobility of lattice oxygen (O latt) also improves the oxidation ability of the catalysts.

  15. Leaching of vanadium from waste V2O5-WO3/TiO2 catalyst catalyzed by functional microorganisms.

    Science.gov (United States)

    Wang, Shuhua; Xie, Yaling; Yan, Weifu; Wu, Xuee; Wang, Chin-Tsan; Zhao, Feng

    2018-05-22

    Solid wastes are currently produced in large amounts. Although bioleaching of metals from solid wastes is an economical and sustainable technology, it has seldom been used to recycle metals from abandoned catalyst. In this study, the bioleaching of vanadium from V 2 O 5 -WO 3 /TiO 2 catalyst were comprehensively investigated through five methods: Oligotrophic way, Eutrophic way, S-mediated way, Fe-mediated way and Mixed way of S-mediated and Fe-mediated. The observed vanadium bioleaching effectiveness of the assayed methods was follows: S-mediated > Mixed > Oligotrophic > Eutrophic > Fe-mediated, which yielded the maximum bioleaching efficiencies of approximately 90%, 35%, 33%, 20% and 7%, respectively. The microbial community analysis suggested that the predominant genera Acidithiobacillus and Sulfobacillus from the S-mediated bioleaching way effectively catalyzed the vanadium leaching, which could have occurred through the indirect mechanism from the microbial oxidation of S 0 . In addition, the direct mechanism, involving direct electron transfer between the catalyst and the microorganisms that attached to the catalyst surface, should also help the vanadium to be leached more effectively. Therefore, this work provides guidance for future research and practical application on the treatment of waste V 2 O 5 -WO 3 /TiO 2 catalyst. Copyright © 2018 Elsevier B.V. All rights reserved.

  16. A thick hierarchical rutile TiO2 nanomaterial with multilayered structure

    International Nuclear Information System (INIS)

    Zhu, Shengli; Xie, Guoqiang; Yang, Xianjin; Cui, Zhenduo

    2013-01-01

    Highlights: ► We synthesized a new rutile TiO 2 nanomaterial with a hierarchical nanostructure. ► The nano architecture structure consist of nanorods and nanoflower arrays. ► The rutile TiO 2 nanomaterial is thick in size (several 10 μm). ► The TiO 2 nanomaterials present a multilayer structure. - Abstract: In the present paper, we synthesized a new type of rutile TiO 2 nanomaterial with a hierarchical nanostructure using a novel method, which combined dealloying process with chemical synthesis. The structure characters were examined using X-ray diffraction, scanning electron microscopy and transmission electron microscopy. The rutile TiO 2 nanomaterial is thick in size (several 10 μm). The hierarchical structure of the rutile TiO 2 nanomaterial consists of large quantities nanorods and nanoflower arrays. The nanoflowers consist of serveral nanopetals with diameter of 100–200 nm. The cross section of TiO 2 nanomaterials presents a multilayer structure with the layer thickness of about 3–5 μm. The rutile TiO 2 nanomaterial has high specific surface area. The formation mechanism of the rutile TiO 2 nanomaterial was discussed according to the experimental results. The rutile TiO 2 nanomaterial has potential applications in catalysis, photocatalysis and solar cells

  17. The Electronic Structures and Optical Properties of Alkaline-Earth Metals Doped Anatase TiO2: A Comparative Study of Screened Hybrid Functional and Generalized Gradient Approximation.

    Science.gov (United States)

    Ma, Jin-Gang; Zhang, Cai-Rong; Gong, Ji-Jun; Wu, You-Zhi; Kou, Sheng-Zhong; Yang, Hua; Chen, Yu-Hong; Liu, Zi-Jiang; Chen, Hong-Shan

    2015-08-24

    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.

  18. 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.

  19. Cr2O3 nanoparticle-functionalized WO3 nanorods for ethanol gas sensors

    Science.gov (United States)

    Choi, Seungbok; Bonyani, Maryam; Sun, Gun-Joo; Lee, Jae Kyung; Hyun, Soong Keun; Lee, Chongmu

    2018-02-01

    Pristine WO3 nanorods and Cr2O3-functionalized WO3 nanorods were synthesized by the thermal evaporation of WO3 powder in an oxidizing atmosphere, followed by spin-coating of the nanowires with Cr2O3 nanoparticles and thermal annealing in an oxidizing atmosphere. Scanning electron microscopy was used to examine the morphological features and X-ray diffraction was used to study the crystallinity and phase formation of the synthesized nanorods. Gas sensing tests were performed at different temperatures in the presence of test gases (ethanol, acetone, CO, benzene and toluene). The Cr2O3-functionalized WO3 nanorods sensor showed a stronger response to these gases relative to the pristine WO3 nanorod sensor. In particular, the response of the Cr2O3-functionalized WO3 nanorods sensor to 200 ppm ethanol gas was 5.58, which is approximately 4.4 times higher that of the pristine WO3 nanorods sensor. Furthermore, the Cr2O3-functionalized WO3 nanorods sensor had a shorter response and recovery time. The pristine WO3 nanorods had no selectivity toward ethanol gas, whereas the Cr2O3-functionalized WO3 nanorods sensor showed good selectivity toward ethanol. The gas sensing mechanism of the Cr2O3-functionalized WO3 nanorods sensor toward ethanol is discussed in detail.

  20. Hydroxyapatite/gelatin functionalized graphene oxide composite coatings deposited on TiO2 nanotube by electrochemical deposition for biomedical applications

    International Nuclear Information System (INIS)

    Yan, Yajing; Zhang, Xuejiao; Mao, Huanhuan; Huang, Yong; Ding, Qiongqiong; Pang, Xiaofeng

    2015-01-01

    Highlights: • Graphene oxide cross-linked gelatin was firstly employed as reinforcement fillers in hydroxyapatite coatings by electrochemical deposition process on TiO 2 nanotube arrays. • Gelatin functionalized graphene oxide induced the formation of hydroxyapatite coatings. • The success of gelatin and graphene oxide incorporation was evidenced with FTIR and XPS. • The synthesized composite coatings showed good biocompatibility and no adverse effect in cell culture tests. - Abstract: Graphene oxide cross-linked gelatin was employed as reinforcement fillers in hydroxyapatite coatings by electrochemical deposition process on TiO 2 nanotube arrays (TNs). The TNs were grown on titanium by electrochemical anodization in hydrofluoric electrolyte using constant voltage. Fourier transform infrared spectroscopy, X-ray diffraction, X-ray photoelectron spectroscopy, Field emission scanning electron microscopy equipped with energy dispersive X-ray analysis and biological studies were used to characterize the coatings. The corrosion resistance of the coatings was also investigated by electrochemical method in simulated body fluid solution

  1. Stability and Electronic Properties of TiO2 Nanostructures With and Without B and N Doping

    DEFF Research Database (Denmark)

    Mowbray, Duncan; Martinez, Jose Ignacio; García Lastra, Juan Maria

    2009-01-01

    We address one of the main challenges to TiO2 photocatalysis, namely band gap narrowing, by combining nanostructural changes with doping. With this aim we compare TiO2’s electronic properties for small 0D clusters, 1D nanorods and nanotubes, 2D layers, and 3D surface and bulk phases using differe...

  2. Carboxylic acid-functionalized SBA-15 nanorods for gemcitabine delivery

    International Nuclear Information System (INIS)

    Bahrami, Zohreh; Badiei, Alireza; Ziarani, Ghodsi Mohammadi

    2015-01-01

    The present study deals with the functionalization of mesoporous silica nanoparticles as drug delivery systems. Mono, di, and tri amino-functionalized SBA-15 nanorods were synthesized by post-grafting method using (3-aminopropyl) triethoxysilane, N-(2-aminoethyl-)3- aminopropyltrimethoxysilane, and 3-[2-(2-aminoethylamino) ethylamino] propyl trimethoxysilane, respectively. The carboxylic acid derivatives of the amino-functionalized samples were obtained using succinic anhydride. Tminopropyltrimethoxysilanehe obtained modified materials were investigated as matrixes for the anticancer drug (gemcitabine) delivery. The prepared samples were characterized by SAXS, N 2 adsorption/desorption, SEM, transmission electron microscopy, thermogravimetric analysis, and FTIR and UV spectroscopies. The adsorption and release properties of all samples were studied. It was revealed that the adsorption capacity and release behavior of gemcitabine were highly dependent on the type of the introduced functional groups. The carboxylic acid-modified samples have higher loading content, due to the strong interaction with gemcitabine. The maximum content of deposited drug in the modified SBA-15 nanorods is close to 40 wt%. It was found that the surface functionalization leads toward significant decrease of the drug release rate. The carboxylic acid-functionalized samples have slower release rate in contrast with the amino-functionalized samples

  3. Double functions of porous TiO2 electrodes on CH3NH3PbI3 perovskite solar cells: Enhancement of perovskite crystal transformation and prohibition of short circuiting

    Directory of Open Access Journals (Sweden)

    Govindhasamy Murugadoss

    2014-08-01

    Full Text Available In order to analyze the crystal transformation from hexagonal PbI2 to CH3NH3PbI3 by the sequential (two-step deposition process, perovskite CH3NH3PbI3 layers were deposited on flat and/or porous TiO2 layers. Although the narrower pores using small nanoparticles prohibited the effective transformation, the porous-TiO2 matrix was able to help the crystal transformation of PbI2 to CH3NH3PbI3 by sequential two-step deposition. The resulting PbI2 crystals in porous TiO2 electrodes did not deteriorate the photovoltaic effects. Moreover, it is confirmed that the porous TiO2 electrode had served the function of prohibiting short circuits between working and counter electrodes in perovskite solar cells.

  4. Quantum dot sensitized solar cell based on TiO2/CdS/Ag2S heterostructure

    Science.gov (United States)

    Pawar, Sachin A.; Patil, Dipali S.; Kim, Jin Hyeok; Patil, Pramod S.; Shin, Jae Cheol

    2017-04-01

    Quantum dot sensitized solar cell (QDSSC) is fabricated based on a stepwise band structure of TiO2/CdS/Ag2S to improve the photoconversion efficiency of TiO2/CdS system by incorporating a low band gap Ag2S QDs. Vertically aligned TiO2 nanorods assembly is prepared by a simple hydrothermal technique. The formation of CdS and Ag2S QDs over TiO2 nanorods assembly as a photoanode is carried out by successive ionic layer adsorption and reaction (SILAR) technique. The synthesized electrode materials are characterized by XRD, XPS, field emission scanning electron microscopy (FE-SEM), Optical, solar cell and electrochemical performances. The results designate that the QDs of CdS and Ag2S have efficiently covered exterior surfaces of TiO2 nanorods assembly. A cautious evaluation between TiO2/CdS and TiO2/CdS/Ag2S sensitized cells tells that CdS and Ag2S synergetically helps to enhance the light harvesting ability. Under AM 1.5G illumination, the photoanodes show an improved power conversion efficiency of 1.87%, in an aqueous polysulfide electrolyte with short-circuit photocurrent density of 7.03 mA cm-2 which is four fold higher than that of a TiO2/CdS system.

  5. Density functional modelling of the interaction between the uranyl ion and TiO2 and NiFe2O4 surfaces

    International Nuclear Information System (INIS)

    Perron, H.

    2007-07-01

    This study, performed within the framework of a collaboration between the IPN in Orsay and EDF, takes place within the problematic of radioactivity control in geological depository or in nuclear power plants. The interaction mechanisms of ions at solid / liquid interfaces are often very complex and thus very hard to characterize. The use of atomic modelling, and more particularly of ab initio type calculations such as the density functional theory, allow to access to surface complexes structural and energetic properties. First, this theoretical approach has been validated on the experimentally uranyl / rutile TiO 2 well-known system. The systematic comparisons between experimental data and theoretical results have allowed to demonstrate the ability of this approach to properly describe this complex system. Then, a similar study has been performed as a predictive tool on the uranyl / NiFe 2 O 4 system which is not characterized experimentally. The goal of these studies was to determine if theoretical calculations are able to bring usable and reliable data when the experimental studies are too hard to set up. (author)

  6. Enhanced Bonding of Silver Nanoparticles on Oxidized TiO2(110)

    DEFF Research Database (Denmark)

    Hansen, Jonas Ørbæk; Salazar, Estephania Lira; Galliker, Patrick

    2010-01-01

    The nucleation and growth of silver nanoclusters on TiO2(110) surfaces with on-top O adatoms (oxidized TiO2), surface O vacancies and H adatoms (reduced TiO2) have been studied. From the interplay of scanning tunneling microscopy/photoelectron spectroscopy experiments and density functional theor...

  7. Quantum Dot Sensitized Solar Cells Based on TiO2/AgInS2

    Science.gov (United States)

    Pawar, Sachin A.; Jeong, Jae Pil; Patil, Dipali S.; More, Vivek M.; Lee, Rochelle S.; Shin, Jae Cheol; Choi, Won Jun

    2018-05-01

    Quantum dot heterojunctions with type-II band alignment can efficiently separate photogenerated electron-hole pairs and, hence, are useful for solar cell studies. In this study, a quantum dot sensitized solar cell (QDSSC) made of TiO2/AgInS2 is achieved to boost the photoconversion efficiency for the TiO2-based system by varying the AgInS2 layer's thickness. The TiO2 nanorods array film is prepared by using a simple hydrothermal technique. The formation of a AgInS2 QD-sensitized TiO2-nanorod photoelectrode is carried out by successive ionic layer adsorption and reaction (SILAR) technique. The effect of the QD layer on the performance of the solar cell is studied by varying the SILAR cycles of the QD coating. The synthesized electrode materials are characterized by using X-ray diffraction, X-ray photoelectron spectroscopy, field emission scanning electron microscopy, high resolution transmission electron microscopy and solar cell performances. The results indicate that the nanocrystals have effectively covered the outer surfaces of the TiO2 nanorods. The interfacial structure of quantum dots (QDs)/TiO2 is also investigated, and the growth interface is verified. A careful comparison between TiO2/AgInS2 sensitized cells reveals that the trasfer of electrons and hole proceeds efficiently, the recombination is suppressed for the optimum thickness of the QD layer and light from the entire visible spectrum is utilised. Under AM 1.5G illumination, a high photocurrent of 1.36 mAcm-2 with an improved power conversion efficiency of 0.48% is obtained. The solar cell properties of our photoanodes suggest that the TiO2 nanorod array films co-sensitized by AgInS2 nanoclusters have potential applications in solar cells.

  8. Coating fabrics with gold nanorods for colouring, UV-protection, and antibacterial functions

    Science.gov (United States)

    Zheng, Yidan; Xiao, Manda; Jiang, Shouxiang; Ding, Feng; Wang, Jianfang

    2012-12-01

    Gold nanorods exhibit rich colours owing to the nearly linear dependence of the longitudinal plasmon resonance wavelength on the length-to-diameter aspect ratio. This property of Au nanorods has been utilized in this work for dyeing fabrics. Au nanorods of different aspect ratios were deposited on both cotton and silk fabrics by immersing them in Au nanorod solutions. The coating of Au nanorods makes the fabrics exhibit a broad range of colours varying from brownish red through green to purplish red, which are essentially determined by the longitudinal plasmon wavelength of the deposited Au nanorods. The colorimetric values of the coated fabrics were carefully measured for examining the colouring effects. The nanorod-coated cotton fabrics were found to be commercially acceptable in washing fastness to laundering tests and colour fastness to dry cleaning tests. Moreover, the nanorod-coated cotton and silk fabrics show significant improvements on both UV-protection and antibacterial functions. Our study therefore points out a promising approach for the use of noble metal nanocrystals as dyeing materials for textile applications on the basis of their inherent localized plasmon resonance properties.

  9. Investigation on Parameters Affecting the Effectiveness of Photocatalytic Functional Coatings to Degrade NO: TiO2 Amount on Surface, Illumination, and Substrate Roughness

    Directory of Open Access Journals (Sweden)

    J. Hot

    2017-01-01

    Full Text Available This paper deals with the degradation of NO by photocatalytic oxidation using TiO2-based coatings. Tests are conducted at a laboratory scale through an experimental setup inspired from ISO 22197-1 standard. Various parameters are explored to evaluate their influence on photocatalysis efficiency: TiO2 dry matter content applied to the surface, nature of the substrate, and illumination conditions (UV and visible light. This article points out the different behaviors between three kinds of substrates which are common building materials: normalized mortar, denser mortar, and commercial wood. The illumination conditions are of great importance in the photocatalytic process with experiments under UV light showing the best results. However, a significant decrease in NO concentration under visible light is also observed provided that the TiO2 dry matter content on the surface is high enough. The nature of the substrate plays an important role in the photocatalytic activity with rougher substrates being more efficient to degrade NO. However, limiting the roughness of the substrate seems to be of utmost interest to obtain the highest exposed surface area and thus the optimal photocatalytic efficiency. A higher roughness promotes the surface contact between TiO2 and NO but does not necessarily increase the photochemical oxidation.

  10. Enhancement in photo-electrochemical efficiency by reducing recombination rate in branched TiO2 nanotube array on functionalizing with ZnO micro crystals

    Science.gov (United States)

    Boda, Muzaffar Ahmad; Ashraf Shah, Mohammad

    2018-06-01

    In this study, branched TiO2 nanotube array were fabricated through electrochemical anodization process at constant voltage using third generation electrolyte. On account of morphological advantage, these nanotubes shows significant enhancement in photo-electrochemical property than compact or conventional titania nanotube array. However, their photo-electrochemical efficiency intensifies on coating with ZnO micro-crystals. ZnO coated branched TiO2 nanotube array shows a photocurrent density of 27.8 mA cm‑2 which is 1.55 times the photocurrent density (17.2 mA cm‑2) shown by bare branched titania nanotubes. The significant enhancement in photocurrent density shown by the resulting ZnO/TiO2 hybrid structure is attributed to suppression in electron–hole recombination phenomenon by offering smooth pathway to photo generated excitons on account of staggered band edge positions in individual semiconductors.

  11. First-principles atomistic Wulff constructions for an equilibrium rutile TiO2 shape modeling

    Science.gov (United States)

    Jiang, Fengzhou; Yang, Lei; Zhou, Dali; He, Gang; Zhou, Jiabei; Wang, Fanhou; Chen, Zhi-Gang

    2018-04-01

    Identifying the exposed surfaces of rutile TiO2 crystal is crucial for its industry application and surface engineering. In this study, the shape of the rutile TiO2 was constructed by applying equilibrium thermodynamics of TiO2 crystals via first-principles density functional theory (DFT) and Wulff principles. From the DFT calculations, the surface energies of six low-index stoichiometric facets of TiO2 are determined after the calibrations of crystal structure. And then, combined surface energy calculations and Wulff principles, a geometric model of equilibrium rutile TiO2 is built up, which is coherent with the typical morphology of fully-developed equilibrium TiO2 crystal. This study provides fundamental theoretical guidance for the surface analysis and surface modification of the rutile TiO2-based materials from experimental research to industry manufacturing.

  12. Immobilization of TiO2 nanoparticles on Fe-filled carbon nanocapsules for photocatalytic applications

    International Nuclear Information System (INIS)

    Huang, H.-C.; Huang, G.-L.; Chen, H.-L.; Lee, Y.-D.

    2006-01-01

    Using a simple sol-gel method, a novel magnetic photocatalyst was produced by immobilization of TiO 2 nano-crystal on Fe-filled carbon nanocapsules (Fe-CNC). High resolution TEM images indicated that the immobilization of TiO 2 on Fe-CNC was driven primarily by heterogeneous coagulation, whereas surface nucleation and growth was the dominant mechanism for immobilizing TiO 2 on acid-functionalized hollow CNC. The TiO 2 immobilized on Fe-CNC exhibited the anatase phase as revealed by the X-ray diffraction (XRD) patterns. In comparison with free TiO 2 and TiO 2 -coated CNC, TiO 2 -coated Fe-CNC displayed good performance in the removal of NO gas under UV exposure. Due to the advantages of easy recycling and good photocatalytic efficiency, the novel magnetic photocatalyst developed here has potential use in photocatalytic applications for pollution prevention

  13. Water Adsorption on TiO2

    DEFF Research Database (Denmark)

    Hammer, Bjørk; Wendt, Stefan; Besenbacher, Flemming

    2010-01-01

    Scanning Tunneling Microscopy (STM) studies and Density Functional Theory (DFT) investigations of the interaction of water with the rutile TiO2 (110) surface are summarized. From high-resolution STM the following reactions have been revealed: water adsorption and diffusion in the Ti troughs, water...... dissociation in bridging oxygen vacancies, assembly of adsorbed water monomers into rapidly diffusing water dimers, and formation of water dimers by reduction of oxygen molecules. The STM results are rationalized based on DFT calculations, revealing the bonding geometries and reaction pathways of the water...

  14. Wastewater remediation by TiO2-impregnated chitosan nano-grafts exhibited dual functionality: High adsorptivity and solar-assisted self-cleaning.

    Science.gov (United States)

    Essawy, Amr A; Sayyah, S M; El-Nggar, A M

    2017-08-01

    This work provides a very infrequent and unique avenue of a novel bio-based nanografted polymeric composites achieving encouraging results in green management of dye contaminants in wastewater. A chitosan-grafted-polyN-Methylaniline (Ch-g-PNMANI) and chitosan-grafted-polyN-Methylaniline imprinted TiO 2 nanocomposites (Ch-g-PNMANI/TiO 2 ) were prepared and efficiently applied in wastewater remediation. The nanocomposites were characterized by FT-IR spectroscopy, X-ray diffraction, transmission electron microscopy, UV-Vis diffuse reflectance spectroscopy and Brunauer-Emmett-Teller surface area (BET) measurements. The prepared composites exhibit higher adsorptivity in removing remazol red RB-133 (RR RB-133) dye compared to other adsorbents reported in literature. The effects of TiO 2 loadings, initial dye concentration, contact time, and pH on dye adsorption were investigated. The maximum adsorption of dye was found at low pH values. Furthermore, Ch-g-PNMANI/TiO 2 of the optimum TiO 2 loading has higher adsorption capacity (116.3mg/g) than the pristine Ch-g-PNMANI (108.7mg/g). Moreover, the prepared adsorbents are photoactive under sunlight-irradiation. The study addresses a nanocomposite of considerable adsorption and in the same time has the fastest self-cleaning photoactivity (t 1/2 =31.5min.) under sunlight irradiation where a plausible photodegradation mechanism was proposed. Interestingly, the presented photoactive adsorbents are still effective in removing dye after five adsorption/sunlight-assisted self-cleaning photoregeneration cycles and therefore, they can be potentially applied to the rapid, "green" and low-cost remediation of RR RB-133 enriched industrial printing and dyeing wastewater. Copyright © 2017 Elsevier B.V. All rights reserved.

  15. Synthesis, characterization, and photocatalytic activities of Cobalt(II)-Titanium dioxide nanorods, and electrophoretic deposition of Titanium dioxide nanoparticle/nanorod composite films for self-cleaning applications

    Science.gov (United States)

    Kang, Wonjun

    This dissertation consists of two projects. The first project is synthesis, characterization, and photocatalytic activities of Co(II)-TiO2 nanorods. We modified brookite TiO2 nanorods with cobalt(II) ions to design new photocatalysts with visible light absorption. X-ray absorption spectroscopy (XAS) and X-ray photoelectron spectroscopy (XPS) data indicated that the local structure of Co(II)-TiO2 nanorods was shown as tetrahedral and octahedral Co(II) sites at TiO2 nanorod surface. Dimethylglyoxime (DMG) has been used to remove surface Co(II) from Co(II)-TiO2 nanorods to determine single-site Co(II) ions selectively attached to the TiO 2 nanorod surface. We proposed a mechanism that the Co-Co bond of the precursor Co2(CO)8 undergoes heterolysis followed by disproportionation of Co(I) to produce Co(II) and Co(0) precipitate. Finally, the Co(II)-TiO2 nanorods showed greater activity than TiO 2 nanorods in the degradation of 5,8-dihydroxy-1,4-naphthoquinone (DHNQ) dye under visible light irradiation. The second project is electrophoretic deposition (EPD) of TiO2 nanoparticle/nanorod composite films for self-cleaning applications. We developed novel electrolyte system for EPD of TiO2 nanoparticle/nanorod composites for self-cleaning coatings. A mixture of TiO2 powder and TiO2 nanorods was used as EPD suspension in a mixture of THF and acetone. TiO2 nanoparticle/nanorod composite films were fabricated on aluminium substrates via the EPD method, and were characterized by scanning electron microscope (SEM). SEM images showed that TiO2 nanoparticle/nanorod composite films had a uniform pore structure. The hydrophobic properties of surfaces in TiO2 nanoparticle/nanorod composite films were evaluated by water contact angle measurements. It was found that the surfaces of TiO2 nanoparticle/nanorod composite films were hydrophobic with contact angle of 103°. These hydrophobic surfaces are expected to have potential applications for self-cleaning.

  16. Optical and Morphological Properties of ZnO- and TiO2-Derived Nanostructures Synthesized via a Microwave-Assisted Hydrothermal Method

    Directory of Open Access Journals (Sweden)

    Nosipho Moloto

    2012-01-01

    Full Text Available A microwave-assisted hydrothermal method was used to synthesize ZnO and TiO2 nanostructures. The experimental results show that the method resulted in crystalline monodispersed ZnO nanorods that have pointed tips with hexagonal crystal phase. TiO2 nanotubes were also formed with minimum bundles. The mechanism for the formation of the tubes was validated by HRTEM results. The optical properties of both ZnO and TiO2 nanostructures showed characteristics of strong quantum confinement regime. The photoluminescence spectrum of TiO2 nanotubes shows good improvement from previously reported data.

  17. Thermal degradation of TiO2 nanotubes on titanium

    Science.gov (United States)

    Shivaram, Anish; Bose, Susmita; Bandyopadhyay, Amit

    2014-10-01

    The objective of this research was to study thermal degradation behavior of TiO2 nanotubes on titanium (Ti). TiO2 nanotubes were grown via anodization method on commercially pure Ti (Cp-Ti) discs using two different electrolytes, 1 vol. % HF in deionized (DI) water and 1 vol. % HF + 0.5 wt. % NH4F + 10 vol. % DI water in ethylene glycol, to obtain nanotubes with two different lengths, 300 nm and 950 nm keeping the nanotube diameter constant at 100 ± 20 nm. As grown TiO2 nanotubes were subjected to heat treatment to understand thermal degradation as a function of both temperature and hold time. The signs of degradation were observed mainly when amorphous nanotubes started to crystallize, however the crystallization temperature varied based on TiO2 nanotubes length and anodizing condition. Overall, 300 nm nanotubes were thermally stable at least up to 400 °C for 12 h, while the 950 nm long nanotubes show signs of degradation from 400 °C for 6 h only. Clearly, length of nanotubes, heat treatment temperature as well as hold times show influence toward degradation kinetics of TiO2 nanotubes on titanium.

  18. Synergistic effects between TiO2 and carbon nanotubes (CNTs) in a TiO2/CNTs system under visible light irradiation.

    Science.gov (United States)

    Wu, Chung-Hsin; Kuo, Chao-Yin; Chen, Shih-Ting

    2013-01-01

    This study synthesized a TiO2/carbon nanotubes (CNTs) composite via the sol-gel method. The surface characteristics of the TiO2/CNTs composite were determined by X-ray diffraction, transmission electron microscopy, specific surface area analyser, ultraviolent (UV)-vis spectroscopy, X-ray photoelectron spectroscopy and Raman spectrometer. The photocatalytic activity ofthe TiO2/CNTs composite was evaluated by decolourizing C.I. Reactive Red 2 (RR2) under visible light irradiation. Furthermore, the effects of calcination temperature, pH, RR2 concentration, and the TiO2/CNTs composite dosage on RR2 decolourization were determined simultaneously. The optimal calcination temperature to generate TiO2 and the TiO2/CNTs composite was 673 K, as the percentage of anatase crystallization at this temperature was highest. The specific surface area of the TiO2/CNTs composite and TiO2 were 45 and 42 m2/g, respectively. The band gap of TiO2 and the TiO2/CNTs composite was 2.97 and 2.71 eV by UV-vis measurements, respectively. Experimental data indicate that the Ti-O-C bond formed in the TiO2/CNTs composite. The RR2 decolourization rates can be approximated by pseudo-first-order kinetics; moreover, only the TiO2/CNTs composite had photocatalytic activity under visible light irradiation. At pH 7, the RR2 decolourization rate constant of 0.5, 1 and 2 g/L TiO2/CNTs addition was 0.005, 0.0015, and 0.0047 min(-1), respectively. Decolourization rate increased as pH and the RR2 concentration decreased. The CNTs functioned as electron acceptors, promoting separation of photoinduced electron-hole pairs to retard their recombination; thus, photocatalytic activity of the TiO2/CNTs composite exceeded that of TiO2.

  19. Positron annihilation lifetime characterization of oxygen ion irradiated rutile TiO2

    Science.gov (United States)

    Luitel, Homnath; Sarkar, A.; Chakrabarti, Mahuya; Chattopadhyay, S.; Asokan, K.; Sanyal, D.

    2016-07-01

    Ferromagnetic ordering at room temperature has been induced in rutile phase of TiO2 polycrystalline sample by O ion irradiation. 96 MeV O ion induced defects in rutile TiO2 sample has been characterized by positron annihilation spectroscopic techniques. Positron annihilation results indicate the formation of cation vacancy (VTi, Ti vacancy) in these irradiated TiO2 samples. Ab initio density functional theoretical calculations indicate that in TiO2 magnetic moment can be induced either by creating Ti or O vacancies.

  20. Density functional theory study of adsorption geometries and electronic structures of azo-dye-based molecules on anatase TiO2 surface for dye-sensitized solar cell applications.

    Science.gov (United States)

    Prajongtat, Pongthep; Suramitr, Songwut; Nokbin, Somkiat; Nakajima, Koichi; Mitsuke, Koichiro; Hannongbua, Supa

    2017-09-01

    Structural and electronic properties of eight isolated azo dyes (ArNNAr', where Ar and Ar' denote the aryl groups containing benzene and naphthalene skeletons, respectively) were investigated by density functional theory (DFT) based on the B3LYP/6-31G(d,p) and TD-B3LYP/6-311G(d,p) methods The effect of methanol solvent on the structural and electronic properties of the azo dyes was elucidated by employing a polarizable continuum model (PCM). Then, the azo dyes adsorbed onto the anatase TiO 2 (101) slab surface through a carboxyl group. The geometries and electronic structures of the adsorption complexes were determined using periodic DFT based on the PWC/DNP method. The calculated adsorption energies indicate that the adsorbed dyes preferentially take configuration of the bidentate bridging rather than chelating or monodentate ester-type geometries. Furthermore, the azo compounds having two carboxyl groups are coordinated to the TiO 2 surface more preferentially through the carboxyl group connecting to the benzene skeleton than through that connecting to the naphthalene skeleton. The dihedral angles (Φ B-N ) between the benzene- and naphthalene-skeleton moieties are smaller than 10° for the adsorbed azo compounds containing one carboxyl group. In contrast, Φ B-N > 30° are obtained for the adsorbed azo compounds containing two carboxyl groups. The almost planar conformations of the former appear to strengthen both π-electrons conjugation and electronic coupling between low-lying unoccupied molecular orbitals of the azo dyes and the conduction band of TiO 2 . On the other hand, such coupling is very weak for the latter, leading to a shift of the Fermi level of TiO 2 in the lower-energy direction. The obtained results are useful to the design and synthesize novel azo-dye-based molecules that give rise to higher photovoltaic performances of the dye-sensitized solar cells. Copyright © 2017 Elsevier Inc. All rights reserved.

  1. Cellulose nanofiber-templated three-dimension TiO 2 hierarchical nanowire network for photoelectrochemical photoanode

    Science.gov (United States)

    Zhaodong Li; Chunhua Yao; Fei Wang; Zhiyong Cai; Xudong Wang

    2014-01-01

    Three dimensional (3D) nanostructures with extremely large porosity possess a great promise for the development of high-performance energy harvesting storage devices. In this paper, we developed a high-density 3D TiO2 fiber-nanorod (NR) heterostructure for photoelectrochemical (PEC) water splitting. The hierarchical structure was synthesized on a...

  2. The TiO2 Hierarchical Structure with Nanosheet Spheres for Improved Photoelectric Performance in Dye-Sensitized Solar Cells

    Science.gov (United States)

    Yin, Xin; Guan, Yingli; Song, Lixin; Xie, Xueyao; Du, Pingfan; Xiong, Jie

    2018-04-01

    A bi-layer photoanode is successfully fabricated for dye-sensitized solar cells (DSSCs) composed of P25/TiO2 nanorod (P25/TNR) as the underlayer and TiO2 nanosheet spheres (TNSs) as the light-scattering layer. Notably, the P25-TNR provides multiple functions, including more dye loading, more efficient charge transport and a lower electron recombination rate for the photoanode. Besides, the unique structure of TNS can significantly improve the light-harvesting capacity, boosting the light-harvesting efficiency. Therefore, an enhanced short-circuit current and power conversion efficiency of 18.04 mA cm-2 and 5.99%, respectively, were achieved for the P25/TNR-TNS-based DSSC, which was better than that of the P25-TNS-based (15.17 mA cm-2, 5.36%) and bare TNS-based (11.43 mA cm-2, 4.14%) DSSCs. This indicates that this bi-layer structure effectively combines the advantages of the one-dimensional (1D) nanostructure and three-dimensional (3D) hierarchical structure. In short, this work demonstrates the possibility of fabricating desirable photoanodes for high-performance DSSCs by rational design of nanostructures and effective combination of multi-functional components.

  3. Photocatalytic Property of Fe3O4/SiO2/TiO2 Core-Shell Nanoparticle with Different Functional Layer Thicknesses

    Directory of Open Access Journals (Sweden)

    Junyang Li

    2014-01-01

    Full Text Available This study examined the different properties of Fe3O4/SiO2/TiO2 (FST core-shell nanoparticles encapsulated for one to five different times, represented as FST1 to FST5, respectively. These FST nanoparticles were obtained using the carbon reduction and sol-gel methods, and their properties were characterized by various tools, such as scanning electron microscopy, transmission electron microscopy, X-ray diffraction, vibratory sample magnetometer, laser granularity apparatus, and specific surface area analyzer. The relationship between irradiation time and decoloration ratio indicates that FST2 demonstrated significant efficiency in the decolorization of methyl orange (MO under UV light. Further study on recycle activity showed that FST2 had a high decoloration rate after four cycles of photocatalysis, and its degradation of MO was well aligned with the apparent first-order kinetic equation. Furthermore, FST2 exhibited the highest apparent rate in the first cycle. All these results demonstrate that the recoverable FST2 possessed excellent photocatalytic activity while maintaining outstanding stability for further applications, such as managing environmental pollution.

  4. Carrier-free, functionalized pure drug nanorods as a novel cancer-targeted drug delivery platform

    International Nuclear Information System (INIS)

    Li Yanan; An Feifei; Zhang Xiaohong; Yang Yinlong; Liu Zhuang; Zhang Xiujuan

    2013-01-01

    A one-dimensional drug delivery system (1D DDS) is highly attractive since it has distinct advantages such as enhanced drug efficiency and better pharmacokinetics. However, drugs in 1D DDSs are all encapsulated in inert carriers, and problems such as low drug loading content and possible undesirable side effects caused by the carriers remain a serious challenge. In this paper, a novel, carrier-free, pure drug nanorod-based, tumor-targeted 1D DDS has been developed. Drugs are first prepared as nanorods and then surface functionalized to achieve excellent water dispersity and stability. The resulting drug nanorods show enhanced internalization rates mainly through energy-dependent endocytosis, with the shape-mediated nanorod (NR) diffusion process as a secondary pathway. The multiple endocytotic mechanisms lead to significantly improved drug efficiency of functionalized NRs with nearly ten times higher cytotoxicity than those of free molecules and unfunctionalized NRs. A targeted drug delivery system can be readily achieved through surface functionalization with targeting group linked amphipathic surfactant, which exhibits significantly enhanced drug efficacy and discriminates between cell lines with high selectivity. These results clearly show that this tumor-targeting DDS demonstrates high potential toward specific cancer cell lines. (paper)

  5. Towards TiO2 nanotubes modified by WO3 species: influence of ex situ crystallization of precursor on the photocatalytic activities of WO3/TiO2 composites

    Science.gov (United States)

    Sun, Hui; Dong, Bohua; Su, Ge; Gao, Rongjie; Liu, Wei; Song, Liang; Cao, Lixin

    2015-09-01

    TiO2 nanotubes (TNT) crystallized at different temperatures were loaded with WO3 hydrate through the reaction between (NH4)6W7O24·6H2O and an aqueous solution of HCl. The photocatalytic activities of nanocomposites firstly increase and then decrease as a function of the crystallized temperature of the TNT precursor. The structural, morphologic and optical properties of WO3/TiO2 nanocomposites were also investigated in this study. The samples, initially anatase titania (573 K-773 K), presented phase transition to rutile titania at 873 K. With the crystallized temperature increasing, an evolution of samples morphology changing from nanotube-like structure to nanorod-like structure was observed. Meanwhile, the absorption edge of samples exhibited a red shift, and correspondingly their band gap decreased. Consistent with x-ray diffraction diffractograms, the existence of rutile titania as an impurity in the precursor TNT, crystallized at higher than 873 K, depressed photocatalytic activity evidently. As a result, the degradation rate of methyl orange (MO) increased with the samples crystallinity firstly, and then reduced due to the appearance of rutile titania. In our experimental conditions, the optimal photocatalytic activity was achieved for the sample crystalized at 773 K. Its degradation rate could reach 98.76% after 90 min UV light irradiation.

  6. Towards TiO2 nanotubes modified by WO3 species: influence of ex situ crystallization of precursor on the photocatalytic activities of WO3/TiO2 composites

    International Nuclear Information System (INIS)

    Sun, Hui; Dong, Bohua; Su, Ge; Gao, Rongjie; Liu, Wei; Cao, Lixin; Song, Liang

    2015-01-01

    TiO 2 nanotubes (TNT) crystallized at different temperatures were loaded with WO 3 hydrate through the reaction between (NH 4 ) 6 W 7 O 24 ·6H 2 O and an aqueous solution of HCl. The photocatalytic activities of nanocomposites firstly increase and then decrease as a function of the crystallized temperature of the TNT precursor. The structural, morphologic and optical properties of WO 3 /TiO 2 nanocomposites were also investigated in this study. The samples, initially anatase titania (573 K–773 K), presented phase transition to rutile titania at 873 K. With the crystallized temperature increasing, an evolution of samples morphology changing from nanotube-like structure to nanorod-like structure was observed. Meanwhile, the absorption edge of samples exhibited a red shift, and correspondingly their band gap decreased. Consistent with x-ray diffraction diffractograms, the existence of rutile titania as an impurity in the precursor TNT, crystallized at higher than 873 K, depressed photocatalytic activity evidently. As a result, the degradation rate of methyl orange (MO) increased with the samples crystallinity firstly, and then reduced due to the appearance of rutile titania. In our experimental conditions, the optimal photocatalytic activity was achieved for the sample crystalized at 773 K. Its degradation rate could reach 98.76% after 90 min UV light irradiation. (paper)

  7. Oxidation and photo-oxidation of water on TiO2 surface

    DEFF Research Database (Denmark)

    Valdes, A.; Qu, Z.W.; Kroes, G.J.

    2008-01-01

    The oxidation and photo-oxidation of water on the rutile TiO2(110) surface is investigated using density functional theory (DFT) calculations. We investigate the relative stability of different surface terminations of TiO2 interacting with H2O and analyze the overpotential needed for the electrol...

  8. Fabrication, characterization and photocatalytic properties of Ag nanoparticles modified TiO2 NTs

    International Nuclear Information System (INIS)

    Wang Qingyao; Yang Xiuchun; Liu Dan; Zhao Jianfu

    2012-01-01

    Graphical abstract: The TiO 2 NTs were first treated with bi-functional mercaptoacetic acid linkers (HOOC–R–S). The –OH group on the surface of TiO 2 NT provides a strong affinity with the carboxylate group in the linker molecules. The thiol functional group in the linker molecules facilitates the binding with Ag from AgNO 3 solution. After Ag + ions were reduced by NaBH 4 , Ag nanoparticles formed by nucleation and growth. Highlights: ► Ag nanoparticles with an average diameter of 9.2 nm were filled in the TiO 2 nanotubes by a successive ionic layer adsorption and reaction (SILAR) technique. ► Bi-functional mercaptoacetic acid linkers were used to bind TiO 2 nanotubes with Ag nanoparticles. ► Ag nanoparticles modification of TiO 2 NTs largely enhanced the photocatalytic degradation of methyl orange under ultraviolet light irradiation. - Abstract: Ordered anatase TiO 2 nanotubes (TiO 2 NTs) on Ti substrate were synthesized by electrochemical anodization and subsequently vapor-thermal treatment. Ag nanoparticles were decorated on TiO 2 NTs by successive ionic layer adsorption and reaction (SILAR) technique. Raman spectroscopy, X-ray absorption near edge spectroscopy (XANES), X-ray diffraction (XRD), UV–vis diffuse reflectance spectroscopy, scanning electron microscopy (SEM) and transmission electron microscopy (TEM) were used for the characterization of surface morphology, phase composition, and microstructure of the original TiO 2 NTs, the vapor-thermally treated TiO 2 NTs and the Ag nanoparticles decorated TiO 2 NTs. The results indicate that vapor-thermal treatment favors to the transformation of amorphous TiO 2 into anatase phase. Increasing the SILAR cycle times favors to increase the loaded amounts of Ag nanoparticles in TiO 2 NTs. Ag nanoparticles are uniformly distributed in the TiO 2 NTs, and the SILAR process does not damage the ordered tubular structure. A possible formation mechanism of Ag/TiO 2 NTs has also been proposed. The

  9. Ion-assisted functional monolayer coating of nanorod arrays in hydrogen plasmas

    International Nuclear Information System (INIS)

    Tam, E.; Levchenko, I.; Ostrikov, K.; Keidar, M.; Xu, S.

    2007-01-01

    Uniformity of postprocessing of large-area, dense nanostructure arrays is currently one of the greatest challenges in nanoscience and nanofabrication. One of the major issues is to achieve a high level of control in specie fluxes to specific surface areas of the nanostructures. As suggested by the numerical experiments in this work, this goal can be achieved by manipulating microscopic ion fluxes by varying the plasma sheath and nanorod array parameters. The dynamics of ion-assisted deposition of functional monolayer coatings onto two-dimensional carbon nanorod arrays in a hydrogen plasma is simulated by using a multiscale hybrid numerical simulation. The numerical results show evidence of a strong correlation between the aspect ratios and nanopattern positioning of the nanorods, plasma sheath width, and densities and distributions of microscopic ion fluxes. When the spacing between the nanorods and/or their aspect ratios are larger, and/or the plasma sheath is wider, the density of microscopic ion current flowing to each of the individual nanorods increases, thus reducing the time required to apply a functional monolayer coating down to 11 s for a 7-μm-wide sheath, and to 5 s for a 50-μm-wide sheath. The computed monolayer coating development time is consistent with previous experimental reports on plasma-assisted functionalization of related carbon nanostructures [B. N. Khare et al., Appl. Phys. Lett. 81, 5237 (2002)]. The results are generic in that they can be applied to a broader range of plasma-based processes and nanostructures, and contribute to the development of deterministic strategies of postprocessing and functionalization of various nanoarrays for nanoelectronic, biomedical, and other emerging applications

  10. Data on the effect of improved TiO2/FTO interface and Ni(OH2 cocatalyst on the photoelectrochemical performances and stability of CdS cased ZnIn2S4/TiO2 heterojunction

    Directory of Open Access Journals (Sweden)

    Mahadeo A. Mahadik

    2018-04-01

    Full Text Available This data article presents the experimental evidences of the effect of TiO2-fluorine doped tin oxide interface annealing and Ni(OH2 cocatalysts on the photoelectrochemical, structural, morphological and optical properties of Ni(OH2/CdS/ZnIn2S4/TiO2 heterojunction. The Raman spectroscopy exhibits the sharp features of the rutile phase of TiO2 and in agreement with the X-ray diffraction data. The band gap energy of the 500 °C sample was found to be 3.12 eV, further it was increased to 3.20, 3.22 eV for samples annealed at 600 and 700 °C respectively. The decrease in the band gap energy at 500 °C related to the oxygen vacancies and was analysed by photoluminescence spectroscopy analysis. The synthesis, characterization methods and other experimental details of TiO2 based heterostructure are also provided. The presence of CdS and ZnIn2S4 coating on surface of TiO2 electrodes providing a high surface area, extended visible absorption and helps to improve the change separation. This data article contains data related to the research article entitled “Highly efficient and stable 3D Ni(OH2/CdS/ZnIn2S4/TiO2 heterojunction under solar light: Effect of an improved TiO2/FTO interface and cocatalyst” (Mahadik et al., 2017 [1]. Keywords: Annealed TiO2 nanorods, CdS/ZnIn2S4/TiO2 heterostructure, Ni(OH2 cocatalyst, TiO2-FTO interface

  11. A potentiometric biosensor for the detection of notch 3 using functionalized ZnO nanorods.

    Science.gov (United States)

    Ibupoto, Z H; Khun, K; Liu, X; Willander, M

    2014-09-01

    The notch signalling plays a vital and radical role for the activity of cellular proliferation, differentiation and apoptosis. In this study, for the first time a particular biosensor is developed for the detection of notch 3. ZnO nanorods were fabricated on the gold coated glass substrate by hydrothermal method and afterwards were decorated with the gold nanoparticles by electrodepositing technique. Scanning electron microscopy (SEM) has shown the perpendicular to the substrate growth pattern of ZnO nanorods. X-ray diffraction (XRD) studies showed the c-axis oriented growth direction with wurtzite crystal structure of ZnO nanorods. X-ray Photoelectron Spectroscopy (XPS) and energy dispersive X-ray (EDX) techniques have shown the presence of Zn, O and Au atoms in the prepared functional material. Furthermore, the anti-notch 3 was physically adsorbed on the gold nanoparticles functionalized ZnO nanorods. The developed potentiometric immunosensor has shown response to the wide range of notch 3 molecules. The detected range included 1.00 x 10(-5)-1.50 x 10(0 ) μg/mL with a sensitivity of 23.15 ± 0.31 mV/decade. The analytical parameters including reproducibility, stability, and selectivity were also investigated and the observed results indicate the acceptable performance of the notch 3 biosensor. Moreover, the proposed notch 3 biosensor exhibited a fast response time of 10 s.

  12. Effect of annealing temperature on surface morphology and work function of ZnO nanorod arrays

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Hainan [School of Materials Science and Engineering, Nanchang Hangkong University, Nanchang 330063 (China); Xue, Mingshan, E-mail: xuems04@mails.ucas.ac.cn [School of Materials Science and Engineering, Nanchang Hangkong University, Nanchang 330063 (China); Ou, Junfei [School of Materials Science and Engineering, Nanchang Hangkong University, Nanchang 330063 (China); Jiangsu Key Laboratory for Solar Cell Materials and Technology, Changzhou University, Changzhou 213164 (China); Wang, Fajun [School of Materials Science and Engineering, Nanchang Hangkong University, Nanchang 330063 (China); Li, Wen, E-mail: wenl@ualberta.ca [School of Materials Science and Engineering, Nanchang Hangkong University, Nanchang 330063 (China)

    2013-07-15

    Highlights: •The 600°C and 450°C isothermal sections of the Zn-Fe-B system are determined. •The solubility of Zn in Fe{sub 2}B and FeB at 600°C is 1.8 at.% and 2.5 at.%, respectively. •The solubility of Zn in Fe{sub 2}B and FeB at 450°C is 1.7 at.% and 2.1 at.%, respectively. •All Fe-Zn compounds can be in equilibrium with Fe{sub 2}B at 450°C. •Both FeB and Fe{sub 2}B are in equilibrium with the liquid phase at 600°C. -- Abstract: A simple and effective method of fabricating nanomaterials and the understanding of their electronic structures are significant for designing novel nanodevices. In this study, ZnO nanorod arrays on ITO substrate were synthesized by electrochemical deposition, and the effect of annealing temperature on surface morphology and especially work function was investigated using various techniques. The results indicated that the formation of hexagonal ZnO nanorod arrays with (0 0 0 1) orientation was strongly associated with the annealing temperature. The work function of well-aligned ZnO nanorod arrays is 4.84 eV, which shows an obvious dependence on the arrangement of ZnO nanorod arrays. These changes in work function of ZnO nanorod arrays (e.g., used as the photoanode of dye-sensitized solar cells) are important to understand the electron transport of related nanodevices.

  13. Hydrothermal synthesis, characterization, photocatalytic activity and dye-sensitized solar cell performance of mesoporous anatase TiO2 nanopowders

    International Nuclear Information System (INIS)

    Pavasupree, Sorapong; Jitputti, Jaturong; Ngamsinlapasathian, Supachai; Yoshikawa, Susumu

    2008-01-01

    Mesoporous anatase TiO 2 nanopowder was synthesized by hydrothermal method at 130 deg. C for 12 h. The samples were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), selected-area electron diffraction (SAED), HRTEM, and Brunauer-Emmett-Teller (BET) surface area. The as-synthesized sample with narrow pore size distribution had average pore diameter about 3-4 nm. The specific BET surface area of the as-synthesized sample was about 193 m 2 /g. Mesoporous anatase TiO 2 nanopowders (prepared by this study) showed higher photocatalytic activity than the nanorods TiO 2 , nanofibers TiO 2 mesoporous TiO 2 , and commercial TiO 2 nanoparticles (P-25, JRC-01, and JRC-03). The solar energy conversion efficiency (η) of the cell using the mesoporous anatase TiO 2 was about 6.30% with the short-circuit current density (Jsc) of 13.28 mA/cm 2 , the open-circuit voltage (Voc) of 0.702 V and the fill factor (ff) of 0.676; while η of the cell using P-25 reached 5.82% with Jsc of 12.74 mA/cm 2 , Voc of 0.704 V and ff of 0.649

  14. A selective potentiometric copper (II) ion sensor based on the functionalized ZnO nanorods.

    Science.gov (United States)

    Khun, K; Ibupoto, Z H; Liu, X; Nur, O; Willander, M; Danielsson, B

    2014-09-01

    In this work, ZnO nanorods were hydrothermally grown on the gold-coated glass substrate and characterized by field emission scanning electron microscopy (FESEM) and X-ray diffraction (XRD) techniques. The ZnO nanorods were functionalized by two different approaches and performance of the sensor electrode was monitored. Fourier transform infrared spectroscopy (FTIR) was carried out for the confirmation of interaction between the ionophore molecules and ZnO nanorods. In addition to this, the surface of the electrode was characterized by X-ray photoelectron spectroscopy (XPS) showing the chemical and electronic state of the ionophore and ZnO nanorod components. The ionophore solution was prepared in the stabilizer, poly vinyl chloride (PVC) and additives, and then functionalized on the ZnO nanorods that have shown the Nernstian response with the slope of 31 mV/decade. However, the Cu2+ ion sensor was fabricated only by immobilizing the selective copper ion ionophore membrane without the use of PVC, plasticizers, additives and stabilizers and the sensor electrode showed a linear potentiometric response with a slope of 56.4 mV/decade within a large dynamic concentration range (from 1.0 x 10(-6) to 1.0 x 10(-1) M) of copper (II) nitrate solutions. The sensor showed excellent repeatability and reproducibility with response time of less than 10 s. The negligible response to potentially interfering metal ions such as calcium (Ca2+), magnesium (Mg2+), potassium (K+), iron (Fe3+), zinc (Zn2+), and sodium (Na+) allows this sensor to be used in biological studies. It may also be used as an indicator electrode in the potentiometric titration.

  15. Communication: Unraveling the 4He droplet-mediated soft-landing from ab initio-assisted and time-resolved density functional simulations: Au@4He300/TiO2(110)

    Science.gov (United States)

    de Lara-Castells, María Pilar; Aguirre, Néstor F.; Stoll, Hermann; Mitrushchenkov, Alexander O.; Mateo, David; Pi, Martí

    2015-04-01

    An ab-initio-based methodological scheme for He-surface interactions and zero-temperature time-dependent density functional theory for superfluid 4He droplets motion are combined to follow the short-time collision dynamics of the Au@4He300 system with the TiO2(110) surface. This composite approach demonstrates the 4He droplet-assisted sticking of the metal species to the surface at low landing energy (below 0.15 eV/atom), thus providing the first theoretical evidence of the experimentally observed 4He droplet-mediated soft-landing deposition of metal nanoparticles on solid surfaces [Mozhayskiy et al., J. Chem. Phys. 127, 094701 (2007) and Loginov et al., J. Phys. Chem. A 115, 7199 (2011)].

  16. Fullerene C70 decorated TiO2 nanowires for visible-light-responsive photocatalyst

    International Nuclear Information System (INIS)

    Cho, Er-Chieh; Ciou, Jing-Hao; Zheng, Jia-Huei; Pan, Job; Hsiao, Yu-Sheng; Lee, Kuen-Chan; Huang, Jen-Hsien

    2015-01-01

    Graphical abstract: - Highlights: • TiO 2 nanowire decorated with C 60 and C 70 derivatives has been synthesized. • The fullerenes impede the charge recombination due to its high electron affinity. • The fullerenes expand the utilization of solar light from UV to visible light. • The modified-TiO 2 has great biocompatibility. - Abstract: In this study, we have synthesized C 60 and C 70 -modified TiO 2 nanowire (NW) through interfacial chemical bonding. The results indicate that the fullerenes (C 60 and C 70 derivatives) can act as sinks for photogenerated electrons in TiO 2 , while the fullerene/TiO 2 is illuminated under ultraviolet (UV) light. Therefore, in comparison to the pure TiO 2 NWs, the modified TiO 2 NWs display a higher photocatalytic activity under UV irradiation. Moreover, the fullerenes also can function as a sensitizer to TiO 2 which expand the utilization of solar light from UV to visible light. The results reveal that the C 70 /TiO 2 NWs show a significant photocatalytic activity for degradation of methylene blue (MB) in visible light region. To better understand the mechanism responsible for the effect of fullerenes on the photocatalytic properties of TiO 2 , the electron only devices and photoelectrochemical cells based on fullerenes/TiO 2 are also fabricated and evaluated.

  17. First-Principles Modeling of Polaron Formation in TiO2 Polymorphs.

    Science.gov (United States)

    Elmaslmane, A R; Watkins, M B; McKenna, K P

    2018-06-21

    We present a computationally efficient and predictive methodology for modeling the formation and properties of electron and hole polarons in solids. Through a nonempirical and self-consistent optimization of the fraction of Hartree-Fock exchange (α) in a hybrid functional, we ensure the generalized Koopmans' condition is satisfied and self-interaction error is minimized. The approach is applied to model polaron formation in known stable and metastable phases of TiO 2 including anatase, rutile, brookite, TiO 2 (H), TiO 2 (R), and TiO 2 (B). Electron polarons are predicted to form in rutile, TiO 2 (H), and TiO 2 (R) (with trapping energies ranging from -0.02 eV to -0.35 eV). In rutile the electron localizes on a single Ti ion, whereas in TiO 2 (H) and TiO 2 (R) the electron is distributed across two neighboring Ti sites. Hole polarons are predicted to form in anatase, brookite, TiO 2 (H), TiO 2 (R), and TiO 2 (B) (with trapping energies ranging from -0.16 eV to -0.52 eV). In anatase, brookite, and TiO 2 (B) holes localize on a single O ion, whereas in TiO 2 (H) and TiO 2 (R) holes can also be distributed across two O sites. We find that the optimized α has a degree of transferability across the phases, with α = 0.115 describing all phases well. We also note the approach yields accurate band gaps, with anatase, rutile, and brookite within six percent of experimental values. We conclude our study with a comparison of the alignment of polaron charge transition levels across the different phases. Since the approach we describe is only two to three times more expensive than a standard density functional theory calculation, it is ideally suited to model charge trapping at complex defects (such as surfaces and interfaces) in a range of materials relevant for technological applications but previously inaccessible to predictive modeling.

  18. 3D Bi2S3/TiO2 cross-linked heterostructure: An efficient strategy to improve charge transport and separation for high photoelectrochemical performance

    Science.gov (United States)

    Han, Minmin; Jia, Junhong

    2016-10-01

    A novel 3D cross-linked heterostructure of TiO2 nanorods connecting with each other via ultrathin Bi2S3 nanosheets is constructed by a facile and effective strategy. The growth mechanism has been investigated and proposed based on the evolution of microstructure by changing the reaction parameters. Benefiting from the unique cross-linked heterostructure, the as-prepared Bi2S3 nanosheets modified TiO2 nanorods arrays could achieve a high energy conversion efficiency of 3.29% which is the highest value to date for Bi2S3-only sensitized solar cells as the reported highest value is 2.23% and other reported values are less than 1%. Furthermore, the photoelectrochemical studies clearly reveal that the novel cross-linked heterostructure exhibits much better activity than 0D nanoparticles decorated TiO2 nanorods under visible light irradiation, which may be primarily ascribed to the efficient electron transfer from 2D ultrathin Bi2S3 nanosheets to 1D TiO2 nanorod arrays. The promising results in this work confirm the advantages of cross-linked heterostructure and also undoubtedly offer an attractive synthesis strategy to fabricate other nanorod-based hierarchical architecture as well as nano-devices for solar energy conversion.

  19. Dispersions of geometric TiO2 nanomaterials and their toxicity to RPMI 2650 nasal epithelial cells

    Science.gov (United States)

    Tilly, Trevor B.; Kerr, Lei L.; Braydich-Stolle, Laura K.; Schlager, John J.; Hussain, Saber M.

    2014-11-01

    Titanium dioxide (TiO2) based nanofilaments—nanotube, nanowire, nanorod—have gained interest for industrial, electrical, and as of recent, medical applications due to their superior performance over TiO2 nanoparticles. Safety assessment of these nanomaterials is critical to protect workers, patients, and bystanders as these technologies become widely implemented. Additionally, TiO2 based nanofilaments can easily be inhaled by humans and their high aspect ratio, much like asbestos fibers, may make them toxic in the respiratory system. The tendency of TiO2 nanofilaments to aggregate makes evaluating their nanotoxicity difficult and the results controversial, because incomplete dispersion results in larger particle sizes that are no longer in the nano dimensional size range. TiO2 nanofilaments are aggregated and difficult to disperse homogeneously in solution by conventional methods, such as sonication and vortexing. In this study, a microfluidic device was utilized to produce stable, homogeneous dosing solutions necessary for in vitro toxicity evaluation by eliminating any toxicity caused by aggregated TiO2 nanomaterials. The toxicity results could then be directly correlated to the TiO2 nanostructure itself. The toxicity of four TiO2 nanogeometries—nanotube, nanowire, nanorod, and nanoparticle—were assessed in RPMI 2650 human nasal epithelial cells at representative day, week, and month in vitro exposure dosages of 10, 50, 100 μg/ml, respectively. All TiO2 based nanomaterials dispersed by the microfluidic method were nontoxic to RPMI 2650 cells at the concentrations tested, whereas higher concentrations of 100 μg/ml of nanowires and nanotubes dispersed by sonication reduced viability up to 27 %, indicating that in vitro toxicity results may be controlled by the dispersion of dosing solutions.

  20. The Effects of Anchor Groups on (1) TiO2-Catalyzed Photooxidation and (2) Linker-Assisted Assembly on TiO2

    Science.gov (United States)

    Anderson, Ian Mark

    Quantum dot-sensitized solar cells (QDSSCs) are a popular target for research due to their potential for highly efficient, easily tuned absorption. Typically, light is absorbed by quantum dots attached to a semiconductor substrate, such as TiO2, via bifunctional linker molecules. This research aims to create a patterned monolayer of linker molecules on a TiO2 film, which would in turn allow the attachment of a patterned layer of quantum dots. One method for the creation of a patterned monolayer is the functionalization of a TiO2 film with a linker molecule, followed by illumination with a laser at 355 nm. This initiates a TiO 2-catalyzed oxidation reaction, causing loss of surface coverage. A second linker molecule can then be adsorbed onto the TiO2 surface in the illuminated area. Towards that end, the behaviors of carboxylic and phosphonic acids adsorbed on TiO2 have been studied. TiO2 films were functionalized by immersion in solutions a single adsorbate and surface coverage was determined by IR spectroscopy. It is shown that phosphonic acids attain higher surface coverage than carboxylic acids, and will displace them from TiO2 when in a polar solvent. Alkyl chain lengths, which can influence stabilities of monolayers, are shown not to have an effect on this relationship. Equilibrium binding data for the adsorption of n-hexadecanoic acid to TiO2 from a THF solution are presented. It is shown that solvent polarity can affect monolayer stability; carboxylates and phosphonates undergo more desorption into polar solvents than nonpolar. Through illumination, it was possible to remove nearly all adsorbed linkers from TiO2. However, the illuminated areas were found not to be receptive to attachment by a second adsorbate. A possible reason for this behavior is presented. I also report on the synthesis and characterization of a straight-chain, thiol-terminated phosphonic acid. Initial experiments involving monolayer formation and quantum dot attachment are presented

  1. Nonenzymetic glucose sensing using carbon functionalized carbon doped ZnO nanorod arrays

    Science.gov (United States)

    Chakraborty, Pinak; Majumder, Tanmoy; Dhar, Saurab; Mondal, Suvra Prakash

    2018-04-01

    Fabrication of highly sensitive, long stability and low cost glucose sensors are attractive for biomedical applications and food industries. Most of the commercial glucose sensors are based on enzymatic detection which suffers from problems underlying in enzyme activities. Development of high sensitive, enzyme free sensors is a great challenge for next generation glucose sensing applications. In our study Zinc oxide nanorod sensing electrodes have been grown using low cost hydrothermal route and their nonenzymatic glucose sensing properties have been demonstrated with carbon functionalized, carbon doped ZnO nanorods (C-ZnO NRs) in neutral medium (0.1M PBS, pH 7.4) using cyclic voltammetry and amperometry measurements. The C-ZnO NRs electrodes demonstrated glucose sensitivity˜ 13.66 µAmM-1cm-2 in the concentration range 0.7 - 14 mM.

  2. When Anatase Nanoparticles Become Bulklike: Properties of Realistic TiO2 Nanoparticles in the 1-6 nm Size Range from All Electron Relativistic Density Functional Theory Based Calculations.

    Science.gov (United States)

    Lamiel-Garcia, Oriol; Ko, Kyoung Chul; Lee, Jin Yong; Bromley, Stefan T; Illas, Francesc

    2017-04-11

    All electron relativistic density functional theory (DFT) based calculations using numerical atom-centered orbitals have been carried out to explore the relative stability, atomic, and electronic structure of a series of stoichiometric TiO 2 anatase nanoparticles explicitly containing up to 1365 atoms as a function of size and morphology. The nanoparticles under scrutiny exhibit octahedral or truncated octahedral structures and span the 1-6 nm diameter size range. Initial structures were obtained using the Wulff construction, thus exhibiting the most stable (101) and (001) anatase surfaces. Final structures were obtained from geometry optimization with full relaxation of all structural parameters using both generalized gradient approximation (GGA) and hybrid density functionals. Results show that, for nanoparticles of a similar size, octahedral and truncated octahedral morphologies have comparable energetic stabilities. The electronic structure properties exhibit a clear trend converging to the bulk values as the size of the nanoparticles increases but with a marked influence of the density functional employed. Our results suggest that electronic structure properties, and hence reactivity, for the largest anatase nanoparticles considered in this study will be similar to those exhibited by even larger mesoscale particles or by bulk systems. Finally, we present compelling evidence that anatase nanoparticles become effectively bulklike when reaching a size of ∼20 nm diameter.

  3. Defects improved photocatalytic ability of TiO2

    International Nuclear Information System (INIS)

    Li, Lei; Tian, Hong-Wei; Meng, Fan-Ling; Hu, Xiao-Ying; Zheng, Wei-Tao; Sun, Chang Q.

    2014-01-01

    Highlights: • Defect improves the photocatalytic ability by band gap narrowing and carrier life prolonging. • Atomic undercoordination shortens the local bonds, entraps, and polarizes electrons. • Polarization lowers the local workfunction and lengthens carrier life. • Entrapment and polarization narrows the band gap tuning the wavelength of absorption. - Abstract: Defect generation forms an important means modulating the photocatalytic ability of TiO 2 with mechanisms that remain yet unclear. Here we show that a spectral distillation clarifies the impact of defect on modulating the band gap, electroaffinity, and work function of the substance. Firstly, by analyzing XPS measurements, we calibrated the 2p 3/2 level of 451.47 eV for an isolated Ti atom and its shifts by 2.14 and 6.94 eV, respectively, upon Ti and TiO 2 bulk formation. Spectral difference between the defected and the un-defected TiO 2 skin revealed then that the 2p 3/2 level shifts further from 6.94 to 9.67 eV due to the defect-induced quantum entrapment. This entrapment is associated with an elevation of the upper edges of both the 2p 3/2 and the conduction band by polarization. The shortening and strengthening of bonds between undercoordinated atoms densify and entrap the core electrons, which in turn polarize the dangling bond electrons of defect atoms. The entrapment and polarization mediate thus the band gap, the electroaffinity, the work function, and the photocatalytic ability of TiO 2

  4. Synthesis of TiO2/Bi2S3 heterojunction with a nuclear-shell structure and its high photocatalytic activity

    International Nuclear Information System (INIS)

    Lu, Juan; Han, Qiaofeng; Wang, Zuoshan

    2012-01-01

    Highlights: ► Bi 2 S 3 was doped into TiO 2 and it was clearly proved by the expander of the crystalline lattice in XRD result. ► As-prepared TiO 2 /Bi 2 S 3 heterojunctions have a nuclear-shell structure which has not been reported. ► As-prepared TiO 2 /Bi 2 S 3 heterojunctions have the excellent photocatalytic activity. -- Abstract: TiO 2 /Bi 2 S 3 heterojunctions with a nuclear-shell structure were prepared by the coprecipitation method. The products were characterized by X-ray diffraction analysis, Raman spectra, transmission electron microscope images and energy dispersion X-ray spectra. Results showed that as-prepared Bi 2 S 3 was urchin-like, made from many nanorods, and TiO 2 /Bi 2 S 3 heterojunctions have a similar nuclear-shell structure, with Bi 2 S 3 as the shell and TiO 2 as the nuclear. The photocatalytic experiments performed under UV irradiation using methyl orange as the pollutant revealed that the photocatalytic activity of TiO 2 could be improved by introduction of an appropriate amount of Bi 2 S 3 . However, excessive amount of Bi 2 S 3 would result in the decrease of photocatalytic activity of TiO 2 . The relative mechanism was proposed.

  5. The effect of TiO2 nanocrystal shape on the electrical properties of poly(styrene-b-methyl methacrylate) block copolymer based nanocomposites for solar cell application

    International Nuclear Information System (INIS)

    Cano, Laida; Gutierrez, Junkal; Di Mauro, A. Evelyn; Curri, M. Lucia; Tercjak, Agnieszka

    2015-01-01

    Titanium dioxide (TiO 2 ) nanocrystals were synthesized into two shapes, namely spherical and rod-like and used for the fabrication of polystyrene-block-poly(methyl methacrylate) (PSMMA) block copolymer based nanocomposites, which were employed as the active top layer of electro-devices for solar cell application. Electro-devices were designed using nanocomposites with high TiO 2 nanocrystal contents (50-70 wt%) and for comparison as-synthesized TiO 2 nanospheres (TiO 2 NSs) and TiO 2 nanorods (TiO 2 NRs) were also used. The morphology of the electro-devices was studied by atomic force microscopy showing good nanocrystal dispersion. The electrical properties of the devices were investigated by PeakForce tunneling atomic force microscopy and Keithley semiconductor analyzer, which showed higher electrical current values for devices containing TiO 2 NRs in comparison to TiO 2 NSs. Remarkably, the influence of the PSMMA block copolymer on the improvement of the conductivity of the electro-devices was also assessed, demonstrating that the self-assembling ability of block copolymer can be beneficial to improve charge transfer in the fabricated electro-devices, thus representing relevant systems to be potentially developed for photovoltaic applications. Moreover, the absorbance of the prepared electro-devices in solar irradiation range was confirmed by UV–vis spectroscopy characterization.

  6. Whiter, brighter, and more stable cellulose paper coated with TiO2 /SiO2 core/shell nanoparticles using a layer-by-layer approach.

    Science.gov (United States)

    Cheng, Fei; Lorch, Mark; Sajedin, Seyed Mani; Kelly, Stephen M; Kornherr, Andreas

    2013-08-01

    To inhibit the photocatalytic degradation of organic material supports induced by small titania (TiO2 ) nanoparticles, four kinds of TiO2 nanoparticles, that is, commercial P25-TiO2 , commercial rutile phase TiO2 , rutile TiO2 nanorods and rutile TiO2 spheres, prepared from TiCl4 , were coated with a thin, but dense, coating of silica (SiO2 ) using a conventional sol-gel technique to form TiO2 /SiO2 core/shell nanoparticles. These core/shell particles were deposited and fixed as a very thin coating onto the surface of cellulose paper samples by a wet-chemistry polyelectrolyte layer-by-layer approach. The TiO2 /SiO2 nanocoated paper samples exhibit higher whiteness and brightness and greater stability to UV-bleaching than comparable samples of blank paper. There are many potential applications for this green chemistry approach to protect cellulosic fibres from UV-bleaching in sunlight and to improve their whiteness and brightness. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Fabrication of TiO_2-modified polytetrafluoroethylene ultrafiltration membranes via plasma-enhanced surface graft pretreatment

    International Nuclear Information System (INIS)

    Qian, Yingjia; Chi, Lina; Zhou, Weili; Yu, Zhenjiang; Zhang, Zhongzhi; Zhang, Zhenjia; Jiang, Zheng

    2016-01-01

    Graphical abstract: - Highlights: • Multifunctional TiO_2/PAA/PTFE ultrafiltration membrane was fabricated via tight coating of TiO_2 functional layer onto the plasma-assisted graft of PAA on PTFE. • The high water flux rate, remarkable enhanced ultrafiltration performance and excellent self-cleaning ability were demonstrated. • The formation of COO−Ti bidentate coordination between TiO_2 and PAA was responsible for the successful coating. - Abstract: Surface hydrophilic modification of polymer ultrafiltration membrane using metal oxide represents an effective yet highly challenging solution to improve water flux and antifouling performance. Via plasma-enhanced graft of poly acryl acid (PAA) prior to coating TiO_2, we successfully fixed TiO_2 functional thin layer on super hydrophobic polytetrafluoroethylene (PTFE) ultrafiltration (UF) membranes. The characterization results evidenced TiO_2 attached on the PTFE-based UF membranes through the chelating bidentate coordination between surface-grafted carboxyl group and Ti"4"+. The TiO_2 surface modification may greatly reduce the water contact angle from 115.8° of the PTFE membrane to 35.0° without degradation in 30-day continuous filtration operations. The novel TiO_2/PAA/PTFE membranes also exhibited excellent antifouling and self-cleaning performance due to the intrinsic hydrophilicity and photocatalysis properties of TiO_2, which was further confirmed by the photo-degradation of MB under Xe lamp irradiation.

  8. Modification of physicochemical and thermal properties of starch films by incorporation of TiO2 nanoparticles.

    Science.gov (United States)

    Oleyaei, Seyed Amir; Zahedi, Younes; Ghanbarzadeh, Babak; Moayedi, Ali Akbar

    2016-08-01

    In this research, potato starch and TiO2 nanoparticles (0.5, 1 and 2wt%) films were developed. Influences of different concentrations of TiO2 on the functional properties of nanocomposite films (water-related properties, mechanical characteristics, and UV transmittance) were investigated. XRD, FTIR, and DSC analyses were used to characterize the morphology and thermal properties of the films. The results revealed that TiO2 nanoparticles dramatically decreased the values of water-related properties (water vapor permeability: 11-34%; water solubility: 1.88-9.26%; moisture uptake: 2.15-11.18%). Incorporation of TiO2 led to a slight increment of contact angle and tensile strength, and a decrease in elongation at break of the films. TiO2 successfully blocked more than 90% of UV light, while opacity and white index of the films were enhanced. Glass transition temperature and melting point of the films were positively affected by the addition of TiO2 nanoparticles. The result of XRD study exhibited that due to a limited agglomeration of TiO2 nanoparticles, the mean crystal size of TiO2 increased. Formation of new hydrogen bonds between the hydroxyl groups of starch and nanoparticles was confirmed by FTIR spectroscopy. In conclusion, TiO2 nanoparticles improved the functional properties of potato starch film and extended the potential for food packaging applications. Copyright © 2016 Elsevier B.V. All rights reserved.

  9. The effects of solvent on photocatalytic properties of Bi2WO6/TiO2 heterojunction under visible light irradiation

    Science.gov (United States)

    Guo, Qiyao; Huang, Yunfang; Xu, Hui; Luo, Dan; Huang, Feiyue; Gu, Lin; Wei, Yuelin; Zhao, Huang; Fan, Leqing; Wu, Jihuai

    2018-04-01

    Bi2WO6/TiO2 heterojunction photocatalysts with two different microstructures were controllably fabricated via a facile two-step synthetic route. XRD, XPS, SEM, TEM, BET-surface, DRS, PL spectra, photoelectrochemical measurement (Mott-Schottky), and zeta-potential analyzer were employed to clarify structural and morphological characteristics of the obtained products. The results showed that Bi2WO6 nanoparticles/nanosheets grew on the primary TiO2 nanorods. The TiO2 nanorods used as a synthetic template inhibit the growth of Bi2WO6 crystals along the c-axis, resulting in Bi2WO6/TiO2 heterostructure with one-dimensional (1D) morphology. The photocatalytic properties of Bi2WO6/TiO2 heterojunction photocatalysts were strongly dependent on their shapes and structures. Compared with bare Bi2WO6 and TiO2, Bi2WO6/TiO2 composite have stronger adsorption ability and better visible light photocatalytic activities towards organic dyes. The Bi2WO6/TiO2 composite prepared in EG solvent with optimal Bi:Ti ratio of 2:12 (S-TB2) showed the highest photocatalytic activity, which could totally decompose Rhodamine B within 10 min upon irradiation with visible light (λ > 422 nm), and retained the high photocatalytic performance after five recycles, confirming its stability and practical usability. The results of PL indicated that Bi2WO6 and TiO2 could combine well to form a heterojunction structure which facilitated electron-hole separation, and lead to the increasing photocatalytic activity.

  10. Au nanostructure-decorated TiO2 nanowires exhibiting photoactivity across entire UV-visible region for photoelectrochemical water splitting.

    Science.gov (United States)

    Pu, Ying-Chih; Wang, Gongming; Chang, Kao-Der; Ling, Yichuan; Lin, Yin-Kai; Fitzmorris, Bob C; Liu, Chia-Ming; Lu, Xihong; Tong, Yexiang; Zhang, Jin Z; Hsu, Yung-Jung; Li, Yat

    2013-08-14

    Here we demonstrate that the photoactivity of Au-decorated TiO2 electrodes for photoelectrochemical water oxidation can be effectively enhanced in the entire UV-visible region from 300 to 800 nm by manipulating the shape of the decorated Au nanostructures. The samples were prepared by carefully depositing Au nanoparticles (NPs), Au nanorods (NRs), and a mixture of Au NPs and NRs on the surface of TiO2 nanowire arrays. As compared with bare TiO2, Au NP-decorated TiO2 nanowire electrodes exhibited significantly enhanced photoactivity in both the UV and visible regions. For Au NR-decorated TiO2 electrodes, the photoactivity enhancement was, however, observed in the visible region only, with the largest photocurrent generation achieved at 710 nm. Significantly, TiO2 nanowires deposited with a mixture of Au NPs and NRs showed enhanced photoactivity in the entire UV-visible region. Monochromatic incident photon-to-electron conversion efficiency measurements indicated that excitation of surface plasmon resonance of Au is responsible for the enhanced photoactivity of Au nanostructure-decorated TiO2 nanowires. Photovoltage experiment showed that the enhanced photoactivity of Au NP-decorated TiO2 in the UV region was attributable to the effective surface passivation of Au NPs. Furthermore, 3D finite-difference time domain simulation was performed to investigate the electrical field amplification at the interface between Au nanostructures and TiO2 upon SPR excitation. The results suggested that the enhanced photoactivity of Au NP-decorated TiO2 in the UV region was partially due to the increased optical absorption of TiO2 associated with SPR electrical field amplification. The current study could provide a new paradigm for designing plasmonic metal/semiconductor composite systems to effectively harvest the entire UV-visible light for solar fuel production.

  11. Mn-doped CdS quantum dots sensitized hierarchical TiO2 flower-rod for solar cell application

    International Nuclear Information System (INIS)

    Yu, Libo; Li, Zhen; Liu, Yingbo; Cheng, Fa; Sun, Shuqing

    2014-01-01

    A double-layered TiO 2 film which three dimensional (3D) flowers grown on highly ordered self-assembled one dimensional (1D) TiO 2 nanorods was synthesized directly on transparent fluorine-doped tin oxide (FTO) conducting glass substrate by a facile hydrothermal method and was applied as photoanode in Mn-doped CdS quantum dots sensitized solar cells (QDSSCs). The 3D TiO 2 flowers with the increased surface areas can adsorb more QDs, which increased the absorption of light; meanwhile 1D TiO 2 nanorods beneath the flowers offered a direct electrical pathway for photogenerated electrons, accelerating the electron transfer rate. A typical type II band alignment which can effectively separate photogenerated excitons and reduce recombination of electrons and holes was constructed by Mn-doped CdS QDs and TiO 2 flower-rod. The incident photon-to-current conversion efficiency (IPCE) of the Mn-doped CdS/TiO 2 flower-rod solar cell reached to 40% with the polysulfide electrolyte filled in the solar cell. The power conversion efficiency (PCE) of 1.09% was obtained with the Mn-doped CdS/TiO 2 flower-rod solar cell under one sun illumination (AM 1.5G, 100 mW/cm 2 ), which is 105.7% higher than that of the CdS/TiO 2 nanorod solar cell (0.53%).

  12. Characterization and Comparison of Photocatalytic Activity Silver Ion doped on TiO2(TiO2/Ag+) and Silver Ion doped on Black TiO2(Black TiO2/Ag+)

    Science.gov (United States)

    Kim, Jin Yi; Sim, Ho Hyung; Song, Sinae; Noh, Yeoung Ah; Lee, Hong Woon; Taik Kim, Hee

    2018-03-01

    Titanium dioxide (TiO2) is one of the representative ceramic materials containing photocatalyst, optic and antibacterial activity. The hydroxyl radical in TiO2 applies to the intensive oxidizing agent, hence TiO2 is suitable to use photocatalytic materials. Black TiO2was prepared through reduction of amorphous TiO2 conducting under H2 which leads to color changes. Its black color is proven that absorbs 100% light across the whole-visible light, drawing enhancement of photocatalytic property. In this study, we aimed to compare the photocatalytic activity of silver ion doped on TiO2(TiO2/Ag+) and silver ion doped on black TiO2(black TiO2/Ag+) under visible light range. TiO2/Ag+ was fabricated following steps. 1) TiO2 was synthesized by a sol-gel method from Titanium tetraisopropoxide (TTIP). 2) Then AgNO3 was added during an aging process step for silver ion doping on the surface of TiO2. Moreover, Black TiO2/Ag+ was obtained same as TiO2/Ag+ except for calcination under H2. The samples were characterized X-ray diffraction (XRD), UV-visible reflectance (UV-vis DRS), and Methylene Blue degradation test. XRD analysis confirmed morphology of TiO2. The band gap of black TiO2/Ag+ was confirmed (2.6 eV) through UV-vis DRS, which was lower than TiO2/Ag+ (2.9 eV). The photocatalytic effect was conducted by methylene blue degradation test. It demonstrated that black TiO2/Ag+ had a photocatalytic effect under UV light also visible light.

  13. 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

    We analyze the deformation of the potential energy surface (PES) due to the incorrect description of fractional electron systems (the nonlinearity of the energy with electron number) within a (semi) local density functional theory (DFT). Particularly sensitive to this failure are polaronic systems...

  14. Studied Localized Surface Plasmon Resonance Effects of Au Nanoparticles on TiO2 by FDTD Simulations

    Directory of Open Access Journals (Sweden)

    Guo-Ying Yao

    2018-06-01

    Full Text Available Localized surface plasmon resonance (LSPR plays a significant role in the fields of photocatalysis and solar cells. It can not only broaden the spectral response range of materials, but also improve the separation probability of photo-generated electron-hole pairs through local field enhancement or hot electron injection. In this article, the LSPR effects of Au/TiO2 composite photocatalyst, with different sizes and shapes, have been simulated by the finite difference time domain (FDTD method. The variation tendency of the resonance-absorption peaks and the intensity of enhanced local enhanced electric field were systematically compared and emphasized. When the location of Au nanosphere is gradually immersed into the TiO2 substrate, the local enhanced electric field of the boundary is gradually enhanced. When Au nanoshperes are covered by TiO2 at 100 nm depths, the local enhanced electric field intensities reach the maximum value. However, when Au nanorods are loaded on the surface of the TiO2 substrate, the intensity of the corresponding enhanced local enhanced electric field is the maximum. Au nanospheres produce two strong absorption peaks in the visible light region, which are induced by the LSPR effect and interband transitions between Au nanoparticles and the TiO2 substrate. For the LSPR resonance-absorption peaks, the corresponding position is red-shifted by about 100 nm, as the location of Au nanospheres are gradually immersed into the TiO2 substrate. On the other hand, the size change of the Au nanorods do not lead to a similar variation of the LSPR resonance-absorption peaks, except to change the length-diameter ratio. Meanwhile, the LSPR effects are obviously interfered with by the interband transitions between the Au nanorods and TiO2 substrate. At the end of this article, three photo-generated carrier separation mechanisms are proposed. Among them, the existence of direct electron transfer between Au nanoparticles and the TiO2

  15. Preparation and solar-light photocatalytic activity of TiO2 composites: TiO2/kaolin, TiO2/diatomite, and TiO2/zeolite

    Science.gov (United States)

    Li, Y.; Li, S. G.; Wang, J.; Li, Y.; Ma, C. H.; Zhang, L.

    2014-12-01

    Three TiO2 loaded composites, TiO2/kaolin, TiO2/diatomite, and TiO2/zeolite, were prepared in order to improve the solar-light photocatalytic activity of TiO2. The results showed that the photocatalytic activity could obviously be enhanced by loading appropriate amount of inorganic mineral materials. Meanwhile, TiO2 content, heat-treatment temperature and heat-treatment time on the photocatalytic activity were reviewed. Otherwise, the effect of solar light irradiation time and dye concentration on the photocatalytic degradation of Acid Red B was investigated. Furthermore, the degradation mechanism and adsorption process were also discussed.

  16. Hydrothermal synthesis of 1D TiO2 nanostructures for dye sensitized solar cells

    International Nuclear Information System (INIS)

    Tacchini, I.; Ansón-Casaos, A.; Yu, Youhai; Martínez, M.T.; Lira-Cantu, M.

    2012-01-01

    Highlights: ► Hydrothermal synthesis allows the preparation of different 1D TiO 2 nanostructures easily. ► Nanotubular morphology demonstrates the highest photovoltaic efficiencies in dye sensitized cells (DSCs). ► Morphology at the nanoscale level is as decisive for DSC efficiency as it is TiO 2 crystal structure and surface area. - Abstract: Mono-dimensional titanium oxide nanostructures (multi-walled nanotubes and nanorods) were synthesized by the hydrothermal method and applied to the construction of dye sensitized solar cells (DSCs). First, nanotubes (TiNTs) and nanotubes loaded with titanium oxide nanoparticles (TiNT/NPs) were synthesized with specific surface areas of 253 m 2 /g and 304 m 2 /g, respectively. After that, thermal treatment of the nanotubes at 500 °C resulted in their transformation into the corresponding anatase nanorods (TiNT-Δ and TiNT/NPs-Δ samples). X-ray diffraction and Raman spectroscopy data indicated that titanium oxide in the pristine TiNT and TiNT/NP samples was converted into anatase phase TiO 2 during the heating. Additionally, specific surface areas and water adsorption capacities decreased after the heat treatment due to the sample agglomeration and the collapse of the inner nanotube channels. DSCs were fabricated with the nanotube TiNT and TiNT/NP samples and with the anatase nanorod TiNT-Δ and TiNT/NPs-Δ samples as well. The highest power conversion efficiency of η = 3.12% was obtained for the TiNT sample, despite its lower specific surface compared with the corresponding nanoparticle-loaded sample (TiNT/NP).

  17. 3D periodic multiscale TiO_2 architecture: a platform decorated with graphene quantum dots for enhanced photoelectrochemical water splitting

    International Nuclear Information System (INIS)

    Xu, Zhen; Yin, Min; Lu, Linfeng; Chen, Xiaoyuan; Li, Dongdong; Sun, Jing; Ding, Guqiao; Chang, Paichun

    2016-01-01

    Micropatterned TiO_2 nanorods (TiO_2NRs) via three-dimensional (3D) geometry engineering in both microscale and nanoscale decorated with graphene quantum dots (GQDs) have been demonstrated successfully. First, micropillar (MP) and microcave (MC) arrays of anatase TiO_2 films are obtained through the sol–gel based thermal nanoimprinting method. Then they are employed as seed layers in hydrothermal growth to fabricate the 3D micropillar/microcave arrays of rutile TiO_2NRs (NR), which show much-improved photoelectrochemical water-splitting performance than the TiO_2NRs grown on flat seed layer. The zero-dimensional GQDs are sequentially deposited onto the surfaces of the microscale patterned nanorods. Owing to the fast charge separation that resulted from the favorable band alignment of the GQDs and rutile TiO_2, the MP-NR-GQDs electrode achieves a photocurrent density up to 2.92 mA cm"−"2 under simulated one-sun illumination. The incident-photon-to-current-conversion efficiency (IPCE) value up to 72% at 370 nm was achieved on the MP-NR-GQDs electrode, which outperforms the flat-NR counterpart by 69%. The IPCE results also imply that the improved photocurrent mainly benefits from the distinctly enhanced ultraviolet response. The work provides a cost-effective and flexible pathway to develop periodic 3D micropatterned photoelectrodes and is promising for the future deployment of high performance optoelectronic devices. (paper)

  18. Surface nanostructuring of TiO2 thin films by ion beam irradiation

    International Nuclear Information System (INIS)

    Romero-Gomez, P.; Palmero, A.; Yubero, F.; Vinnichenko, M.; Kolitsch, A.; Gonzalez-Elipe, A.R.

    2009-01-01

    This work reports a procedure to modify the surface nanostructure of TiO 2 anatase thin films through ion beam irradiation with energies in the keV range. Irradiation with N + ions leads to the formation of a layer with voids at a depth similar to the ion-projected range. By setting the ion-projected range a few tens of nanometers below the surface of the film, well-ordered nanorods appear aligned with the angle of incidence of the ion beam. Slightly different results were obtained by using heavier (S + ) and lighter (B + ) ions under similar conditions

  19. Coaxial nanofibers containing TiO2 in the shell for water treatment applications

    Science.gov (United States)

    Kizildag, N.; Geltmeyer, J.; Ucar, N.; De Buysser, K.; De Clerck, K.

    2017-10-01

    In recent years, the basic electrospinning setup has undergone many modifications carried out to enhance the quality and improve the functionality of the resulting nanofibers. Being one of these modifications, coaxial electrospinning has attracted great attention. It enables to use different materials in nanofiber production and produce multi-layered and functional nanofibers in one step. In this study, TiO2 has been added to the shell layer of coaxial nanofibers to develop functional nanofibers which may be used in water treatment applications. The coaxial nanofibers containing TiO2 in the shell layer are compared to uniaxial nanofibers containing TiO2 in bulk fiber structure, regarding their morphology and photocatalytic activity. Uniform uniaxial and coaxial nanofibers with TiO2 were obtained. The average nanofiber diameter of coaxial nanofibers were higher. Coaxial nanofibers, which contained lower amount of TiO2, displayed similar performance to uniaxial nanofibers with TiO2 in terms of photocatalytic degradation ability against isoproturon.

  20. ELECTROPHORETIC DEPOSITION OF TIO2-MULTI-WALLED CARBON NANOTUBE COMPOSITE COATINGS: MORPHOLOGICAL STUDY

    Directory of Open Access Journals (Sweden)

    M. S. MAHMOUDI JOZEE

    2016-09-01

    Full Text Available A homogenous TiO2 / multi-walled carbon nanotubes(MWCNTs composite film were prepared by electrophoretic co-deposition from organic suspension on a stainless steel substrate.  In this study, MWCNTs was incorporated to the coating because of their long structure and their capability to be functionalized by different inorganic groups on the surface. FTIR spectroscopy showed the existence of carboxylic groups on the modified carbon nanotubes surface. The effect of applied electrical fields, deposition time and concentration of nanoparticulates on coatings morphology were investigated by scanning electron microscopy. It was found that combination of MWCNTs within TiO2 matrix eliminating micro cracks presented on TiO2 coating. Also, by increasing the deposition voltages, micro cracks were increased. SEM observation of the coatings revealed that TiO2/multi-walled carbon nanotubes coatings produced from optimized electric field was uniform and had good adhesive to the substrate.

  1. The properties of transparent TiO2 films for Schottky photodetector

    Directory of Open Access Journals (Sweden)

    Sung-Ho Park

    2017-08-01

    Full Text Available In this data, the properties of transparent TiO2 film for Schottky photodetector are presented for the research article, entitled as “High-performing transparent photodetectors based on Schottky contacts” (Patel et al., 2017 [1]. The transparent photoelectric device was demonstrated by using various Schottky metals, such as Cu, Mo and Ni. This article mainly shows the optical transmittance of the Ni-transparent Schottky photodetector, analyzed by the energy dispersive spectroscopy and interfacial TEM images for transparency to observe the interface between NiO and TiO2 film. The observation and analyses clearly show that no pinhole formation in the TiO2 film by Ni diffusion. The rapid thermal process is an effective way to form the quality TiO2 film formation without degradation, such as pinholes (Qiu et al., 2015 [2]. This thermal process may apply to form functional metal oxide layers for solar cells and photodetectors.

  2. Synthesis of nanocomposite coating based on TiO2/ZnAl layer double hydroxides

    International Nuclear Information System (INIS)

    Jovanov, V.; Rudic, O.; Ranogajec, J.; Fidanchevska, E.

    2017-01-01

    The aim of this investigation was the synthesis of nanocomposite coatings based on Zn-Al layered double hydroxides (Zn-Al LDH) and TiO2. The Zn-Al LDH material, which acted as the catalyst support of the active TiO2 component (in the content of 3 and 10 wt. %), was synthesized by a low super saturation co-precipitation method. The interaction between the Zn-Al LDH and the active TiO2 component was accomplished by using vacuum evaporation prior to the mechanical activation and only by mechanical activation. The final suspension based on Zn-Al LDH and 10wt. % TiO2, impregnated only by mechanical activation, showed the optimal characteristics from the aspect of particle size distribution and XRD analysis. These properties had a positive effect on the functional properties of the coatings (photocatalytic activity and self-cleaning efficiency) after the water rinsing procedure. [es

  3. Molecular design of TiO2 for gigantic red shift via sublattice substitution.

    Science.gov (United States)

    Shao, Guosheng; Deng, Quanrong; Wan, Lin; Guo, Meilan; Xia, Xiaohong; Gao, Yun

    2010-11-01

    The effects of 3d transition metal doping in TiO2 phases have been simulated in detail. The results of modelling indicate that Mn has the biggest potential among 3d transition metals, for the reduction of energy gap and the introduction of effective intermediate bands to allow multi-band optical absorption. On the basis of theoretical formulation, we have incorporated considerable amount of Mn in nano-crystalline TiO2 materials. Mn doped samples demonstrate significant red shift in the optical absorption edge, with a secondary absorption edge corresponding to theoretically predicted intermediate bands/states. The gigantic red shift achievable in Mn-doped TiO2 is expected to extend the useful TiO2 functionalities well beyond the UV threshold via the optical absorption of both visible and infrared photon irradiance.

  4. GW quasiparticle bandgaps of anatase TiO2 starting from DFT + U.

    Science.gov (United States)

    Patrick, Christopher E; Giustino, Feliciano

    2012-05-23

    We investigate the quasiparticle band structure of anatase TiO(2), a wide gap semiconductor widely employed in photovoltaics and photocatalysis. We obtain GW quasiparticle energies starting from density-functional theory (DFT) calculations including Hubbard U corrections. Using a simple iterative procedure we determine the value of the Hubbard parameter yielding a vanishing quasiparticle correction to the fundamental bandgap of anatase TiO(2). The bandgap (3.3 eV) calculated using this optimal Hubbard parameter is smaller than the value obtained by applying many-body perturbation theory to standard DFT eigenstates and eigenvalues (3.7 eV). We extend our analysis to the rutile polymorph of TiO(2) and reach similar conclusions. Our work highlights the role of the starting non-interacting Hamiltonian in the calculation of GW quasiparticle energies in TiO(2) and suggests an optimal Hubbard parameter for future calculations.

  5. First-principles density functional theory (DFT) study of gold nanorod and its interaction with alkanethiol ligands.

    Science.gov (United States)

    Hu, Hang; Reven, Linda; Rey, Alejandro

    2013-10-17

    The structure and mechanical properties of gold nanorods and their interactions with alkenthiolate self-assembled monolayers have been determined using a novel first-principle density functional theory simulation approach. The multifaceted, 1-dimensional, octagonal nanorod has alternate Au100 and Au110 surfaces. The structural optimization of the gold nanorods was performed with a mixed basis: the outermost layer of gold atoms used double-ζ plus polarization (DZP), the layer below used double-ζ (DZ), and the inner layers used single-ζ (SZ). The final structure compares favorably with simulations using DZP for all atoms. Phonon dispersion calculations and ab initio molecular dynamics (AIMD) were used to establish the dynamic and thermal stability of the system. From the AIMD simulations it was found that the nanorod system will undergo significant surface reconstruction at 300 K. In addition, when subjected to mechanical stress in the axial direction, the nanorod responds as an orthotropic material, with uniform expansion along the radial direction. The Young's moduli are 207 kbar in the axial direction and 631 kbar in the radial direction. The binding of alkanethiolates, ranging from methanethiol to pentanethiol, caused formation of surface point defects on the Au110 surfaces. On the Au100 surfaces, the defects occurred in the inner layer, creating a small surface island. These defects make positive and negative concavities on the gold nanorod surface, which helps the ligand to achieve a more stable state. The simulation results narrowed significant knowledge gaps on the alkanethiolate adsorption process and on their mutual interactions on gold nanorods. The mechanical characterization offers a new dimension to understand the physical chemistry of these complex nanoparticles.

  6. Controllable synthesis of TiO2 nanomaterials by assisting with l-cysteine and ethylenediamine

    KAUST Repository

    Tao, Yugui

    2013-11-21

    This paper reports a facile l-cysteine-assisted solvothermal synthesis of TiO2 nanomaterials using ethylenediamine (En) and distilled water as solvent. The influence of reaction time, temperature, l-cysteine and solvent was initially investigated. Results demonstrated the reaction temperature, l-cysteine and En significantly imposed impact on the phase and morphology of the particles. Amorphous nanosheets, mixed-crystal nanorods and pure anatase nanoparticles were controllably synthesized by varying reaction temperature. The formation of the amorphous nanosheets and mixed-crystal nanorods were directly affected by the presence of l-cysteine and En. And the presence of En distinctly affected the crystal phase of the products, which was rarely mentioned in other studies. Moreover, the photocatalytic activities of three typical samples were excellent. The possible formation mechanism of the sample was also discussed. © 2013 Springer Science+Business Media New York.

  7. Controllable synthesis of TiO2 nanomaterials by assisting with l-cysteine and ethylenediamine

    KAUST Repository

    Tao, Yugui; Cao, Ning; Pan, Jun; Sun, Yichen; Jin, Cheng; Song, Yang

    2013-01-01

    This paper reports a facile l-cysteine-assisted solvothermal synthesis of TiO2 nanomaterials using ethylenediamine (En) and distilled water as solvent. The influence of reaction time, temperature, l-cysteine and solvent was initially investigated. Results demonstrated the reaction temperature, l-cysteine and En significantly imposed impact on the phase and morphology of the particles. Amorphous nanosheets, mixed-crystal nanorods and pure anatase nanoparticles were controllably synthesized by varying reaction temperature. The formation of the amorphous nanosheets and mixed-crystal nanorods were directly affected by the presence of l-cysteine and En. And the presence of En distinctly affected the crystal phase of the products, which was rarely mentioned in other studies. Moreover, the photocatalytic activities of three typical samples were excellent. The possible formation mechanism of the sample was also discussed. © 2013 Springer Science+Business Media New York.

  8. One-Step Nonaqueous Synthesis of Pure Phase TiO2 Nanocrystals from TiCl4 in Butanol and Their Photocatalytic Properties

    Directory of Open Access Journals (Sweden)

    Tieping Cao

    2011-01-01

    Full Text Available Pure phase TiO2 nanomaterials were synthesized by an autoclaving treatment of TiCl4 with butanol as a single alcohol source. It was found that the control of molar ratio of TiCl4 to butanol played an important role in determining the TiO2 crystal phase and morphology. A high molar ratio of TiCl4 to butanol favored the formation of anatase nanoparticles, whereas rutile nanorods were selectively obtained at a low molar ratio of TiCl4 to butanol. Evaluation of the photocatalytic activity of the synthesized TiO2 was performed in terms of decomposition of organic dye rhodamine B under ultraviolet irradiation. It turned out that the as-synthesized TiO2 crystallites possessed higher photocatalytic activities toward bleaching rhodamine B than Degussa P25, benefiting from theirhigh surface area, small crystal size as well as high crystallinity.

  9. Instability of Hydrogenated TiO2

    Energy Technology Data Exchange (ETDEWEB)

    Nandasiri, Manjula I.; Shutthanandan, V.; Manandhar, Sandeep; Schwarz, Ashleigh M.; Oxenford, Lucas S.; Kennedy, John V.; Thevuthasan, Suntharampillai; Henderson, Michael A.

    2015-11-06

    Hydrogenated TiO2 (H-TiO2) is toted as a viable visible light photocatalyst. We report a systematic study on the thermal stability of H-implanted TiO2 using X-ray photoelectron spectroscopy (XPS), ultraviolet photoelectron spectroscopy (UPS), Rutherford backscattering spectrometry (RBS) and nuclear reaction analysis (NRA). Protons (40 keV) implanted at a ~2 atom % level within a ~120 nm wide profile of rutile TiO2(110) were situated ~300 nm below the surface. NRA revealed that this H-profile broadened preferentially toward the surface after annealing at 373 K, dissipated out of the crystal into vacuum at 473 K, and was absent within the beam sampling depth (~800 nm) at 523 K. Photoemission showed that the surface was reduced in concert with these changes. Similar anneals had no effect on pristine TiO2(110). The facile bulk diffusivity of H in rutile, as well as its activity toward interfacial reduction, significantly limits the utilization of H-TiO2 as a photocatalyst. This work was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for DOE by Battelle. The research was performed using the Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory.

  10. Plasma-induced synthesis of Pt nanoparticles supported on TiO2 nanotubes for enhanced methanol electro-oxidation

    Science.gov (United States)

    Su, Nan; Hu, Xiulan; Zhang, Jianbo; Huang, Huihong; Cheng, Jiexu; Yu, Jinchen; Ge, Chao

    2017-03-01

    A Pt/C/TiO2 nanotube composite catalyst was successfully prepared for enhanced methanol electro-oxidation. Pt nanoparticles with a particle size of 2 nm were synthesized by plasma sputtering in water, and anatase TiO2 nanotubes with an inner diameter of approximately 100 nm were prepared by a simple two-step anodization method and annealing process. Field-emission scanning electron microscopy images indicated that the different morphologies of TiO2 synthesized on the surface of Ti foils were dependent on the different anodization parameters. The electrochemical performance of Pt/C/TiO2 catalysts for methanol oxidation showed that TiO2 nanotubes were more suitable for use as Pt nanoparticle support materials than irregular TiO2 short nanorods due to their tubular morphology and better electronic conductivity. X-ray photoelectron spectroscopy characterization showed that the binding energies of the Pt 4f of the Pt/C/TiO2 nanotubes exhibited a slightly positive shift caused by the relatively strong interaction between Pt and the TiO2 nanotubes, which could mitigate the poisoning of the Pt catalyst by COads, and further enhance the electrocatalytic performance. Thus, the as-obtained Pt/C/TiO2 nanotubes composites may become a promising catalyst for methanol electro-oxidation.

  11. Preparation of micro/nanostructure TiO2 spheres by controlling pollen as hard template and soft template.

    Science.gov (United States)

    Yang, Xiaohui; Xu, Bin; Zhang, Xuehong; Song, Xiuqin; Chen, Rufen

    2014-09-01

    In this paper, micro/nanostructure TiO2 spheres were synthesized by a sunflower pollen induced and self-assembly mineralization process, in which a titania precursor and pollen reacted in one-pot at normal pressure. In this paper, the bio-template advantage, as hard and soft template is fully demonstrated. The superiority of our synthesis is that we not only can control pollen as hard template, but also can control it as soft template only by changing reactions temperature. Under 80 degrees C of water bath, TiO2 microspheres which replicated the morphology of pollen were prepared by controlling pollen as hard template. Under 100 degrees C, hierarchical TiO2 spheres with complicated morphology, different from pollen template, were synthesized by using pollen as soft template. At the same time, judicious choice of the amount of pollen affords the synthesis of hierarchical structures spheres with adjustable morphology and crystal structure. The morphology can be tuned from microspheres constructed from TiO2 nanorods to nanospheres constructed from TiO2 nanoparticles, and the crystal structure can be tuned from rutile to anatase. More over this anatase phase can be keep better even at high temperature of 1000 degrees C. The as-prepared micro/nano structure photocatalysts not only have high photocatalytic activities, but also have good separability and reuse performance.

  12. Degradation of the ammonia wastewater in aqueous medium with ozone in combination with mesoporous TiO2 catalytic

    Science.gov (United States)

    Liu, Zhiwu; Qiu, Jianping; Zheng, Chaocan; Li, Liqing

    2017-03-01

    TiO2 mesoporous nanomaterials are now widely used in catalytic ozone technology. In this paper, the market P25 as precursor hydrothermal method to prepare TiO2 mesoporous materials, ozone catalyst material characterization by transmission electron microscopy, surface area analyzers, and X-ray diffraction technique and found that nanotubes, nanosheets, nanorods through characterization results, nano-particles of different morphology and anatase and rutile proportion of the ozone catalytic material can be controlled by the calcination temperature and the temperature of hot water to give, and with the hot water temperature and calcination temperature, the catalyst becomes small aperture size larger catalyst crystalline phase from anatase to rutile gradually shift. Catalytic materials have been prepared by the Joint ozone degradation of ammonia wastewater to evaluate mesoporous TiO2 nanomaterials ozone catalytic performance, the results showed that: ammonia wastewater removal efficiency of various catalytic materials relatively separate ozone and markets P25 effects are significantly improved, and TiO2 nanotubes cooperate with ozone degradation ammonia wastewater highest efficiency, in addition, rutile TiO2 catalysts, the more the better the performance of their ozone catalysis.

  13. 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 TiO 2 , chromium-doped TiO 2 :Cr and TiO 2 -SnO 2 synthesized by flame spray synthesis (FSS) technique for hydrogen sensing. The emphasis is put on the role of anatase and rutile polymorphic forms of TiO 2 in enhancing sensitivity towards reducing gases. Anatase-to-rutile transformation is achieved by annealing of undoped TiO 2 in air at 700 °C, specific Cr doping and modification with SnO 2 . Undoped TiO 2 and TiO 2 -SnO 2 exhibit n-type behaviour and while TiO 2 : 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.

  14. Genotoxic and cytotoxic activity of green synthesized TiO2 nanoparticles

    Science.gov (United States)

    Koca, Fatih Doğan; Duman, Fatih

    2018-03-01

    Nowadays, nanomaterials that are smaller than 100 nm in size are very attractive owing to their enhanced physicochemical properties. Although they have been used widely for industrial applications, their toxicity still remains a problem. This article is a new record of the synthesis of titanium dioxide nanoparticles (TiO2 NPs) by a Mentha aquatica leaf extract and determination of its toxicity to rat marrow mesenchymal stem cells. In this study, we aimed to determine the genotoxic and cytotoxic effects of biologically synthetized TiO2 NPs. The characteristic peak of the nanomaterial was observed at 354 nm. The mean size of the nanomaterial was measured to be 69 nm from SEM images. According to zeta analysis, the surface charge of the nanomaterial was - 37.6 mV. The crystalline structure of the nanomaterial was determined using XRD analysis. It was concluded that the obtained nanomaterial was TiO2 The results of the FT-IR analysis showed that the functional groups that were found in the plant extract could play an important role in the formation and stabilization of TiO2 NPs. The effective size of the TiO2 NPs was found to be 304 nm using DLS analysis. The TGA analysis results showed that the total mass loss was 4% at 900 °C. According to DNA cleavage analysis results, TiO2 NPs cause damage to the plasmid pBR322 DNA in a concentration-dependant matter. It has been noted that TiO2 NPs lead to decreased cell viability during increased time and concentration of applications on rat marrow mesenchymal stem cells. It has also been determined that bulk TiO2 causes a greater reduction in the stem cell viability compared to the biosynthesized NPs. The obtained results could be useful for further application and toxicity studies.

  15. TiO2/Pt/TiO2 Sandwich Nanostructures: Towards Alcohol Sensing and UV Irradiation-Assisted Recovery

    Directory of Open Access Journals (Sweden)

    Rungroj Maolanon

    2017-01-01

    Full Text Available The TiO2/Pt/TiO2 sandwich nanostructures were synthesized by RF magnetron sputtering and demonstrated as an alcohol sensor at room-temperature operation with a fast recovery by UV irradiation. The TiO2/Pt/TiO2 layers on SiO2/Si substrate were confirmed by Auger electron spectroscopy with the interdiffusion of each layer. The TiO2/Pt/TiO2 layers on printed circuit board show the superior sensor response to alcohol in terms of the sensitivity and stability compared to the nonsandwich structure, that is, the only Pt layer or the TiO2/Pt structures. Moreover, the recovery time of the TiO2/Pt/TiO2 was improved by UV irradiation-assisted recovery. The optimum TiO2/Pt/TiO2 with thicknesses of the undermost TiO2 layer, a Pt layer, and the topmost TiO2 layer being 50 nm, 6 nm, and 5 nm, respectively, showed the highest response to ethanol down to 10 ppm. Additionally, TiO2/Pt/TiO2 shows an excellent sensing stability and exhibits different sensing selectivity among ethanol, methanol, and 2-propanol. The sensing mechanism could be attributed to the change of Pt work function during vapor adsorption. The TiO2 layer plays an important role in UV-assisted recovery by photocatalytic activity and the topmost TiO2 acts as protective layer for Pt.

  16. Surface Plasmon Enhanced Photocatalysis of Au/Pt-decorated TiO2 Nanopillar Arrays

    Science.gov (United States)

    Shuang, Shuang; Lv, Ruitao; Xie, Zheng; Zhang, Zhengjun

    2016-05-01

    The low quantum yields and lack of visible light utilization hinder the practical application of TiO2 in high-performance photocatalysis. Herein, we present a design of TiO2 nanopillar arrays (NPAs) decorated with both Au and Pt nanoparticles (NPs) directly synthesized through successive ion layer adsorption and reaction (SILAR) at room temperature. Au/Pt NPs with sizes of ~4 nm are well-dispersed on the TiO2 NPAs as evidenced by electron microscopic analyses. The present design of Au/Pt co-decoration on the TiO2 NPAs shows much higher visible and ultraviolet (UV) light absorption response, which leads to remarkably enhanced photocatalytic activities on both the dye degradation and photoelectrochemical (PEC) performance. Its photocatalytic reaction efficiency is 21 and 13 times higher than that of pure TiO2 sample under UV-vis and visible light, respectively. This great enhancement can be attributed to the synergy of electron-sink function of Pt and surface plasmon resonance (SPR) of Au NPs, which significantly improves charge separation of photoexcited TiO2. Our studies demonstrate that through rational design of composite nanostructures one can harvest visible light through the SPR effect to enhance the photocatalytic activities initiated by UV-light, and thus realize more effectively utilization of the whole solar spectrum for energy conversion.

  17. Charge transfer in photorechargeable composite films of TiO2 and polyaniline

    Science.gov (United States)

    Nomiyama, Teruaki; Sasabe, Kenichi; Sakamoto, Kenta; Horie, Yuji

    2015-07-01

    A photorechargeable battery (PRB) is a photovoltaic device having an energy storage function in a single cell. The photoactive electrode of PRB is a bilayer film consisting of bare porous TiO2 and a TiO2-polyaniline (PANi) mixture that work as a photovoltaic current generator and an electrochemical energy storage by ion dedoping, respectively. To study the charge transfer between TiO2 and PANi, the photorechargeable quantum efficiency QE ([electron count on discharge]/[incident photon count on photocharge]) was measured by varying the thickness LS of the TiO2-PANi mixture. The quantum efficiency QEuv for UV photons had a maximum of ˜7% at LS ˜ 7 µm. The time constant τTP for the charge transfer was about 10-1 s, which was longer ten times or more than the lifetime of excited electrons within TiO2. These facts reveal that the main rate-limiting factor in the photocharging process is the charge transfer between TiO2 and PANi.

  18. Influence of surface treatment on preparing nanosized TiO2 supported on carbon nanotubes

    International Nuclear Information System (INIS)

    Wang Shuo; Ji Lijun; Wu Bin; Gong Qianming; Zhu Yuefeng; Liang Ji

    2008-01-01

    In this paper, nanosize titanium dioxide (TiO 2 ) deposited on pristine and acid treated carbon nanotubes (CNTs) were prepared by a modified sol-gel method. The nanoscale materials were extensively characterized by transmission electron microscopy (TEM), X-ray diffraction (XRD), Fourier transform infrared spectrometer (FTIR) and Raman spectra. The results indicated that about 6.8 nm TiO 2 nanoparticles were successfully deposited on acid-treated CNTs surface homogeneously and densely, which was smaller than TiO 2 coated on pristine CNTs. The surface state of CNTs was a critical factor in obtaining a homogeneous distribution of nanoscale TiO 2 particles. Acid oxidization could etch the surface of CNTs and introduce functional groups, which were beneficial to controllable homogeneous deposition. The TiO 2 coated on acid-treated CNTs was used as photocatalyst for Reactive Brilliant Red X-3B dye degradation under UV irradiation, which showed higher efficiency than that of TiO 2 coated on pristine CNTs and commercial photocatalyst P25.

  19. Multi-Layered TiO2 Films towards Enhancement of Escherichia coli Inactivation

    Directory of Open Access Journals (Sweden)

    Sorachon Yoriya

    2016-09-01

    Full Text Available Crystalline TiO2 has shown its great photocatalytic properties in bacterial inactivation. This work presents a design fabrication of low-cost, layered TiO2 films assembled reactors and a study of their performance for a better understanding to elucidate the photocatalytic effect on inactivation of E. coli in water. The ability to reduce the number of bacteria in water samples for the layered TiO2 composing reactors has been investigated as a function of time, while varying the parameters of light sources, initial concentration of bacteria, and ratios of TiO2 film area and volume of water. Herein, the layered TiO2 films have been fabricated on the glass plates by thermal spray coating prior to screen printing, allowing a good adhesion of the films. Surface topology and crystallographic phase of TiO2 for the screen-printed active layer have been characterized, resulting in the ratio of anatase:rutile being 80:20. Under exposure to sunlight and a given condition employed in this study, the optimized film area:water volume of 1:2.62 has shown a significant ability to reduce the E. coli cells in water samples. The ratio of surface area of photocatalytic active base to volume of water medium is believed to play a predominant role facilitating the cells inactivation. The kinetic rate of inactivation and its behavior are also described in terms of adsorption of reaction species at different contact times.

  20. Experimental measurement and modelling of reactive species generation in TiO2 nanoparticle photocatalysis.

    Science.gov (United States)

    Turolla, Andrea; Piazzoli, Andrea; Budarz, Jeffrey Farner; Wiesner, Mark R; Antonelli, Manuela

    2015-07-01

    The generation of reactive species in titanium dioxide (TiO 2 ) nanoparticle photocatalysis was assessed in a laboratory scale setup, in which P25 Aeroxide TiO 2 suspensions were photoactivated by means of UV-A radiation. Photogenerated holes and hydroxyl radicals were monitored over time by observing their selective reaction with probe compounds, iodide and terephthalic acid, respectively. TiO 2 aggregate size and structure were characterized over the reaction time. Reactive species quenching was then described by a model, accounting for radiative phenomena, TiO 2 nanoparticle aggregation and kinetic reactions. The interaction between iodide and photogenerated holes was influenced by iodide adsorption on TiO 2 surface, described by a Langmuir-Hinshelwood mechanism, whose parameters were studied as a function of TiO 2 concentration and irradiation time. Iodide oxidation was effectively simulated by modelling the reaction volume as a completely stirred two-dimensional domain, in which irradiation phenomena were described by a two-flux model and the steady state for reactive species was assumed. The kinetic parameters for iodide adsorption and oxidation were estimated and successfully validated in a different experimental setup. The same model was adapted to describe the oxidation of terephthalic acid by hydroxyl radicals. The kinetic parameters for terephthalic acid oxidation were estimated and validated, while the issues in investigating the interaction mechanisms among the involved species have been discussed. The sensitivity of operating parameters on model response was assessed and the most relevant parameters were highlighted.

  1. TiO2-TiO2 composite resistive humidity sensor: ethanol crosssensitivity

    International Nuclear Information System (INIS)

    Ghalamboran, Milad; Saedi, Yasin

    2016-01-01

    The fabrication method and characterization results of a TiO 2 -TiO 2 composite bead used for humidity sensing along with its negative cross-sensitivity to ethanol vapor are reported. The bead shaped resistive sample sensors are fabricated by the drop-casting of a TiO 2 slurry on two Pt wire segments. The dried bead is pre-fired at 750°C and subsequently impregnated with a Ti-based sol. The sample is ready for characterization after a thermal annealing at 600°C in air. Structurally, the bead is a composite of the micron-sized TiO 2 crystallites embedded in a matrix of nanometric TiO 2 particle aggregates. The performance of the beads as resistive humidity sensors is recorded at room temperature in standard humidity level chambers. Results evince the wide dynamic range of the sensors fabricated in the low relative humidity range. While the sensor conductance is not sensitive to ethanol vapor in dry air, in humid air, sensor's responses are negatively affected by the contaminant. (paper)

  2. Structure and properties of nanophase TiO2

    International Nuclear Information System (INIS)

    Siegel, R.W.; Hahn, H.; Ramasamy, S.; Zongquan, Li; Ting, Lu; Gronsky, R.

    1987-07-01

    Ultrafine-grained, nanophase samples of TiO 2 (rutile) were synthesized by the gas-condensation method and subsequent in-situ compaction, and then studied by transmission electron microscopy, Vickers hardness measurements, and positron annihilation spectroscopy as a function of sintering temperature. The nanophase compacts densified rapidly above 500 0 C, with only a small increase in grain size. The hardness values obtained by this method are comparable to or greater than coarser-grained compacts, but at temperatures 400 to 600 0 C lower than conventional sintering temperatures and without the need for sintering aids. 11 refs., 3 figs

  3. Carrier recombination dynamics in anatase TiO 2 nanoparticles

    Science.gov (United States)

    Cavigli, Lucia; Bogani, Franco; Vinattieri, Anna; Cortese, Lorenzo; Colocci, Marcello; Faso, Valentina; Baldi, Giovanni

    2010-11-01

    We present an experimental study of the radiative recombination dynamics in size-controlled TiO 2 nanoparticles in the range 20-130 nm. Time-integrated photoluminescence spectra clearly show a dominance of self-trapped exciton (STE) emission, with main features not dependent on the nanoparticle size and on its environment. From picosecond time-resolved experiments as a function of the excitation density and the nanoparticle size we address the STE recombination dynamics as the result of two main processes related to the direct STE formation and to the indirect STE formation mediated by non-radiative surface states.

  4. FTIR and Raman Characterization of TiO2 Nanoparticles Coated with Polyethylene Glycol as Carrier for 2-Methoxyestradiol

    Directory of Open Access Journals (Sweden)

    Andrea León

    2017-01-01

    Full Text Available The aim of this study was to prepare a novel targeting drug delivery system for 2-Methoxyestradiol (2ME in order to improve the clinical application of this antitumor drug. It is based in nanoparticles (NPs of titanium dioxide (TiO2 coated with polyethylene glycol (PEG and loaded with 2ME. A complete IR and Raman characterization have been made to confirm the formation of TiO2–PEG–2ME composite. Vibrational modes have been assigned for TiO2, PEG, and 2ME and functionalized TiO2–PEG and TiO2–PEG–2ME. The observed variation in peak position of FTIR and Raman of each for these composites has been elucidated in terms of intermolecular interactions between PEG–2ME and TiO2, obtaining step-by-step the modification processes that were attributed to the conjugation of PEG and 2ME to TiO2 NPs. Modifying TiO2 NPs with PEG loaded with the 2ME drug revealed that the titanium dioxide nanocarrier possesses an effective adsorption capability, and we discuss their potential application as a system of drug delivery.

  5. Surface passivation function of indium-tin-oxide-based nanorod structural sensors

    International Nuclear Information System (INIS)

    Lin, Tzu-Shun; Lee, Ching-Ting; Lee, Hisn-Ying; Lin, Chih-Chien

    2012-01-01

    Employing self-shadowing traits of an oblique-angle electron-beam deposition system, various indium tin oxide (ITO) nanorod arrays were deposited on a silicon substrate and used as extended-gate field-effect-transistor (EGFET) pH sensors. The length and morphology of the deposited ITO nanorod arrays could be changed and controlled under different deposition conditions. The ITO nanorod structural EGFET pH sensors exhibited high sensing performances owing to the larger sensing surface area. The sensitivity of the pH sensors with 150-nm-length ITO nanorod arrays was 53.96 mV/pH. By using the photoelectrochemical treatment of the ITO nanorod arrays, the sensitivity of the pH sensors with 150-nm-length passivated ITO nanorod arrays was improved to 57.21 mV/pH.

  6. Synthesis, Structural and Optical Properties of Co Doped TiO2 Nanocrystals by Sol-Gel Method

    Directory of Open Access Journals (Sweden)

    D.V. Sridevi

    2017-06-01

    Full Text Available A TiO2 nanoparticle doped with cobalt was synthesized by sol-gel technique employed at room temperature with appropriate reactants. In the present case, we used titanium tetra isoprotoxide (TTIP and 2–propanol as a common starting material and the obtained products were calcined at 450˚ C. From the Powder XRD data the particle size was calculated by Scherrer method. The FE-SEM analysis shows the morphology of cobalt doped TiO2 nanoparticles. The various functional groups of the samples were identified by Fourier transform spectroscopy (FT-IR. The UV-Vis-NIR spectra of cobalt doped TiO2 material shows two absorption peaks in the visible region related to d-d transitions of Co2+ in TiO2 lattice. Compared to un-doped TiO2 nanoparticles, the cobalt doped material show a red shift in the band gap.

  7. Mesoporous 1D TiO_2 nanostructures obtained by the hydrothermal method

    International Nuclear Information System (INIS)

    Cabrera, Julieta; Vilchez, Ricardo; Alarcon, Hugo; Rodriguez, Juan; Lopez, Alcides

    2014-01-01

    Mesoporous one dimensional nanostructures (1D) such as nanotubes/nanorods of TiO_2 were synthesized by alkaline hydrothermal treatment of TiO_2 nanoparticles obtained by Sol Gel process (SG-TiO_2). The electronic microscopy images revealed the nanotubes formation of approximately 8 nm in diameter and more than around 400 nm long after hydrothermal treatment of 18 h and 24 h. These tube-like structures were maintained after acid treatment but after annealing at 400 °C during 2 hours these turn into rod-like structures of crystalline TiO_2 corresponding to anatase phase as revealed the diffraction patterns obtained by X-Ray Diffraction (XRD). The conversion of nanoparticles into nanotubes and afterward into rodlike shape was also confirmed by the variations in the BET surface area from 201, 269 and 97 m"2/g around, respectively. The adsorption-desorption isotherms also revealed hysteresis loop typical of mesoporous materials. These qualities are attractive to use these materials for the treatment of pollutants in water, for example. (author)

  8. IGZO thin film transistor biosensors functionalized with ZnO nanorods and antibodies.

    Science.gov (United States)

    Shen, Yi-Chun; Yang, Chun-Hsu; Chen, Shu-Wen; Wu, Shou-Hao; Yang, Tsung-Lin; Huang, Jian-Jang

    2014-04-15

    We demonstrate a biosensor structure consisting of an IGZO (Indium-Gallium-Zinc-Oxide) TFT (thin film transistor) and an extended sensing pad. The TFT acts as the sensing and readout device, while the sensing pad ensures the isolation of biological solution from the transistor channel layer, and meanwhile increases the sensing area. The biosensor is functionalized by first applying ZnO nanorods to increase the surface area for attracting electrical charges of EGFR (epidermal growth factor receptor) antibodies. The device is able to selectively detect 36.2 fM of EGFR in the total protein solution of 0.1 ng/ml extracted from squamous cell carcinoma (SCC). Furthermore, the conjugation duration of the functionalized device with EGFR can be limited to 3 min, implying that the biosensor has the advantage for real-time detection. © 2013 Elsevier B.V. All rights reserved.

  9. Existence, release, and antibacterial actions of silver nanoparticles on Ag–PIII TiO2 films with different nanotopographies

    Directory of Open Access Journals (Sweden)

    Li J

    2014-07-01

    Full Text Available Jinhua Li, Yuqin Qiao, Hongqin Zhu, Fanhao Meng, Xuanyong Liu State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai, People’s Republic of China Abstract: Nanotopographical TiO2 films (including nanorod, nanotip, and nanowire topographies were successfully fabricated on the metallic Ti surface via hydrothermal treatment and then underwent Ag plasma immersion ion implantation to incorporate Ag with TiO2. The surface morphology, phase component, and chemical composition before and after Ag–PIII were characterized. In view of the potential clinical applications, both Gram-negative Escherichia coli and Gram-positive Staphylococcus aureus were used to estimate their antimicrobial effect. The nanostructured TiO2 films on a Ti surface exhibit a better bacteriostatic effect on both microbes compared to the pristine Ti. The nanotopographies of the TiO2 films affect the nucleation, growth, and distribution of Ag nanoparticles in the films during Ag–PIII process. The Ag nanoparticles are completely embedded into the nanorod film while partially exposed out of the nanotip and nanowire films, which account for the significant differences in the release behaviors of Ag ions in vitro. However, no significant difference exists in their antimicrobial activity against both microbes. The antimicrobial actions of the Ag@TiO2 system described here consist of two methods – the contact-killing action and the release-killing action. Nevertheless, based on the observed results, the contact-killing action should be regarded as the main method to destroy microbes for all the Ag plasma-modified TiO2 nanofilms. This study provides insight to optimize the surface design of Ti-based implants to acquire more effective antimicrobial surfaces to meet clinical applications. Keywords: silver, nanoparticles, titania, nanostructure, antibacterial, plasma

  10. Novel Flexible Transparent Conductive Films with Enhanced Chemical and Electromechanical Sustainability: TiO2 Nanosheet-Ag Nanowire Hybrid.

    Science.gov (United States)

    Sohn, Hiesang; Kim, Seyun; Shin, Weonho; Lee, Jong Min; Lee, Hyangsook; Yun, Dong-Jin; Moon, Kyoung-Seok; Han, In Taek; Kwak, Chan; Hwang, Seong-Ju

    2018-01-24

    Flexible transparent conductive films (TCFs) of TiO 2 nanosheet (TiO 2 NS) and silver nanowire (Ag NW) network hybrid were prepared through a simple and scalable solution-based process. The as-formed TiO 2 NS-Ag NW hybrid TCF shows a high optical transmittance (TT: 97% (90.2% including plastic substrate)) and low sheet resistance (R s : 40 Ω/sq). In addition, the TiO 2 NS-Ag NW hybrid TCF exhibits a long-time chemical/aging and electromechanical stability. As for the chemical/aging stability, the hybrid TCF of Ag NW and TiO 2 NS reveals a retained initial conductivity (ΔR s /R s 4000%) or RuO 2 NS-Ag NW hybrid (ΔR s /R s > 200%). As corroborated by the density functional theory simulation, the superb chemical stability of TiO 2 NS-Ag NW hybrid is attributable to the unique role of TiO 2 NS as a barrier, which prevents Ag NW's chemical corrosion via the attenuated adsorption of sulfidation molecules (H 2 S) on TiO 2 NS. With respect to the electromechanical stability, in contrast to Ag NWs (ΔR/R 0 ∼ 152.9%), our hybrid TCF shows a limited increment of fractional resistivity (ΔR/R 0 ∼ 14.4%) after 200 000 cycles of the 1R bending test (strain: 6.7%) owing to mechanically welded Ag NW networks by TiO 2 NS. Overall, our unique hybrid of TiO 2 NS and Ag NW exhibits excellent electrical/optical properties and reliable chemical/electromechanical stabilities.

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

    Science.gov (United States)

    Cervantes, Blanca; López-Huerta, Francisco; Vega, Rosario; Hernández-Torres, Julián; García-González, Leandro; Salceda, Emilio; Herrera-May, Agustín L.; Soto, Enrique

    2016-01-01

    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. PMID:28773740

  13. Sol-Gel TiO2 thin films sensitized with the mulberry pigment cyanidin

    Directory of Open Access Journals (Sweden)

    Emerson Henrique de Faria

    2007-12-01

    Full Text Available TiO2 films have various applications, among them solar cells and photodegradation of pollutants. In this study, we investigated TiO2 films functionalized with the organic dye cyanidin extracted from black mulberry (Morus nigra. The TiO2 was functionalized by the sol-gel method and the film was deposited on glass substrates by dip-coating. Our aim was to investigate the interaction between the semiconductor and the dye, as well as the influence of the velocity and number of deposits on the characteristics of the film. Using ultraviolet-visible spectroscopy, we observed a shift from the maximum absorption band at 545 nm for the dye’s ethanol solution to 595 nm for the film, indicating interaction of the cyanidin with the TiO2. The absorption spectra in the infrared region of the functionalized TiO2 particles showed bands characteristic of the oxide and indicated their interaction with the dye. Using profilometry and m-line techniques, we found that the films presented thicknesses in the order of 100 nm. A SEM analysis confirmed the high density of the films.

  14. TiO2/EVOH based reactive interlayer in Surlyn for organic device encapsulation

    International Nuclear Information System (INIS)

    Kopanati, Gayathri N; Madras, Giridhar; Ramamurthy, Praveen C

    2016-01-01

    Barrier materials are important for improving the stability and lifetimes of organic electronic devices. A simple technique for improving the barrier properties of polymer films was considered in this work by using TiO 2 nanoparticles in the interlayer to be incorporated in the polymer film. TiO 2 was synthesized by the solution combustion technique, was further functionalized using stearic acid or octadecylamine to induce hydrophobicity and enhance processing of the composite interlayer. The grafting of these compounds on to TiO 2 was investigated using Fourier transform infrared spectroscopy, Raman spectroscopy, elemental analysis and thermo-gravimetric analysis. The functionalized and neat TiO 2 were blended with poly (vinyl alcohol-ethylene) (EVOH) and were melt compressed between Surlyn films. The resulting nanocomposite films were tested for their transparency and barrier properties using UV–visible spectroscopy and calcium degradation test, respectively. Further, the effectiveness of these barrier films in encapsulating organic devices was determined from accelerated aging tests. Therefore, the synthesized barrier films with neat and functionalized TiO 2 in the interlayers proved to be effective as moisture barrier composite films. (paper)

  15. Hierarchical architectures of ZnS–In2S3 solid solution onto TiO2 nanofibers with high visible-light photocatalytic activity

    International Nuclear Information System (INIS)

    Liu, Chengbin; Meng, Deshui; Li, Yue; Wang, Longlu; Liu, Yutang; Luo, Shenglian

    2015-01-01

    Graphical abstract: A unique hierarchical architecture of ZnS–In 2 S 3 solid solution onto TiO 2 nanofibers was fabricated. The hierarchical heterostructures exhibit high visible light photocatalytic activity and outstanding recycling performance. - Highlights: • Novel hierarchical heterostructure of TiO 2 @ZnS–In 2 S 3 solid solution. • Efficient inhibition of ZnS–In 2 S 3 solid solution aggregation. • High visible light photocatalytic activity. • Highly stable recycling performance. - Abstract: A unique hierarchical architecture of ZnS–In 2 S 3 solid solution nanostructures onto TiO 2 nanofibers (TiO 2 @ZnS–In 2 S 3 ) has been successfully fabricated by simple hydrothermal method. The ZnS–In 2 S 3 solid solution nanostructures exhibit a diversity of morphologies: nanosheet, nanorod and nanoparticle. The porous TiO 2 nanofiber templates effectively inhibit the aggregation growth of ZnS–In 2 S 3 solid solution. The formation of ZnS–In 2 S 3 solid solution is proved by X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS) and the intimate contact between TiO 2 nanofibers and ZnS–In 2 S 3 solid solution favors fast transfer of photogenerated electrons. The trinary TiO 2 @ZnS–In 2 S 3 heterostructures exhibit high adsorption capacity and visible light photocatalytic activity for the degradation of rhodamine B dye (RhB), remarkably superior to pure TiO 2 nanofibers or binary structures (ZnS/TiO 2 nanofibers, In 2 S 3 /TiO 2 nanofibers and ZnS–In 2 S 3 solid solution). Under visible light irradiation the RhB photocatalytic degradation rate over TiO 2 @ZnS–In 2 S 3 heterostructures is about 16.7, 12.5, 6.3, 5.9, and 2.2 times that over pure TiO 2 nanofibers, ZnS nanoparticles, In 2 S 3 /TiO 2 nanofibers, ZnS/TiO 2 nanofibers, and ZnS-In 2 S 3 solid solution, respectively. Furthermore, the TiO 2 @ZnS–In 2 S 3 heterostructures show highly stable recycling performance

  16. Recovery of hexavalent chromium from water using photoactive TiO2-montmorillonite under sunlight

    Directory of Open Access Journals (Sweden)

    Ridha Djellabi

    2016-04-01

    Full Text Available Hexavalent chromium was removed from water under sunlight using a synthesized TiO2-montmorillonite (TiO2-M employing tartaric acid as a hole scavenger. Cr(VI species was then reduced to Cr(III species by electrons arising from TiO2 particles. After that, the produced Cr(III species  was transferred to montmorillonite  due to electrostatic attractions leading to  set free TiO2 particles for a further Cr(VI species reduction. Furthermore, produced Cr(III, after Cr(VI reduction, does not  penetrate into the solution. The results indicate that no dark adsorption of Cr(VI species on TiO2-M is present, however, the reduction of Cr(VI species under sunlight increased strongly as a function of tartaric acid concentration up to 60 ppm, for which the extent of reduction is maximum within 3 h. On the other hand, the reduction extent of Cr(VI species is maximum with an initial concentration of Cr(VI species lower than 30 ppm by the use of 0.2 g/L of TiO2-M. Nevertheless, the increase of the Cr(VI initial concentration led to increase the amount of Cr(VI species reduced (capacity of reduction until a Cr(VI concentration of 75 and 100 ppm, for which  it remained constant at around 221 mg/g. For comparison, the increase of Cr(VI species concentration in the case of the commercial TiO2 P25 under the same conditions exhibited its deactivation when the reduced amount decreased from 198.1 to 157.6 mg/g as the concentration increased from 75 to 100 ppm.

  17. TiO2/PbS/ZnS heterostructure for panchromatic quantum dot sensitized solar cells synthesized by wet chemical route

    Science.gov (United States)

    Bhat, T. S.; Mali, S. S.; Sheikh, A. D.; Korade, S. D.; Pawar, K. K.; Hong, C. K.; Kim, J. H.; Patil, P. S.

    2017-11-01

    So far we developed the efficient photoelectrodes which can harness the UV as well as the visible regime of the solar spectrum effectively. In order to exploit a maximum portion of solar spectrum, it is necessary to study the synergistic effect of a photoelectrode comprising UV and visible radiations absorbing materials. Present research work highlights the efforts to study the synchronized effect of TiO2 and PbS on the power conversion efficiency of quantum dot sensitized solar cell (QDSSC). A cascade structure of TiO2/PbS/ZnS QDSSC is achieved to enhance the photoconversion efficiency of TiO2/PbS system by incorporating a surface passivation layer of ZnS which avoids the recombination of charge carriers. A QDSSC is fabricated using a simple and cost-effective technique such as hydrothermally grown TiO2 nanorod arrays decorated with PbS and ZnS using successive ionic layer adsorption and reaction (SILAR) method. Synthesized electrode materials are characterized by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), field emission scanning electron microscopy (FE-SEM), High resolution-transmission electron microscopy (TEM), STEM-EDS mapping, optical and solar cell performances. Phase formation of TiO2, PbS and ZnS get confirmed from the XPS study. FE-SEM images of the photoelectrode show uniform coverage of PbS QDs onto the TiO2 nanorods which increases with increasing number of SILAR cycles. The ZnS layer not only improves the charge transport but also reduces the photocorrosion of lead chalcogenides in the presence of a liquid electrolyte. Finally, the photoelectrochemical (PEC) study is carried out using an optimized photoanode comprising TiO2/PbS/ZnS assembly. Under AM 1.5G illumination the TiO2/PbS/ZnS QDSSC photoelectrode shows 4.08 mA/cm2 short circuit current density in a polysulfide electrolyte which is higher than that of a bare TiO2 nanorod array.

  18. One-pot engineering TiO2/graphene interface for enhanced adsorption and photocatalytic degradation of multiple organics.

    Science.gov (United States)

    Song, Jianhua; Ling, Yun; Xie, Yu; Liu, Lianjun; Zhu, Huihua

    2018-06-13

    It is challenging to design a multifunctional structure or composite for simultaneously adsorb and photocatalytic degrade organic pollutants in water. Towards this goal, this work innovatively engineered interfacial sites between TiO2 particles and reduced graphene oxide (RGO) sheets by employing in situ one-pot one-step solvothermal method. The interface was associated with the content of RGO, solvothermal time and solvent ratio of n-pentanol to n-hexane. It was found that when at a moderate amount of RGO (25%), TiO2 nanoparticles were well dispersed on the surface of RGO or wrapped by RGO, thus leading to a fully contact and strong interaction to form Ti - O - C interfacial structure. But when at a low content of RGO (6%), TiO2 aggregates were mixture of nanosheets, nanoparticles and nanorods. 25%RGO/TiO2 also had 175% higher surface area (146m2/g), 95% larger volume (0.339 cm3/g) and smaller band gap than 6%RGO/TiO2. More importantly, 25%RGO/TiO2 demonstrated higher adsorption efficiency (25%) and 4 times faster degradation rate than TiO2 (0%). It also exhibited good capability to eliminate multiple organics and stable long-term cycle performance (up to 93% retention after 30 cycles). Its superiority was attributed to the large surface area and unique interface between TiO2 and RGO, which not only provided more active sites to capture pollutants but also enhanced charge transfer (3 µA/cm2, 5 times higher than TiO2). This work offered a promising way to purify water through engineering new materials structure and integrating adsorption and photodegradation technologies. © 2018 IOP Publishing Ltd.

  19. Hierarchical (0 0 1) facet anatase/rutile TiO2 heterojunction photoanode with enhanced photoelectrocatalytic performance

    International Nuclear Information System (INIS)

    Tian, Hongyi; Zhao, Guohua; Zhang, Ya-nan; Wang, Yanbin; Cao, Tongcheng

    2013-01-01

    Highlights: ► (0 0 1) facet TiO 2 photoanode with large surface area is reported for the first time. ► Ordered heterojunction further improves light absorption in (0 0 1) facet TiO 2 system. ► (0 0 1) facet TiO 2 photoanode possesses promoted photoelectrocatalytic performance. ► Photoelectrical enhancement mechanism is clarified by electrochemical methods. ► Photogenerated carrier and lifetime are remarkably enhanced by ingenious design. -- Abstract: A hierarchical heterojunction TiO 2 photoanode with large surface/body ratio is reported to exhibit high oxidation activity due to the constructing of anatase TiO 2 with exposed (0 0 1) facets. The mixed-phase photoanode is fabricated through surfactant-assisted anchoring ultrathin anatase nanosheets on vertically ordered rutile nanorod arrays. This cactaceae-like TiO 2 possesses high-exposed (0 0 1) facets outer layer, large specific surface area (375 m 2 g −1 ), efficient photo-to-current conversion (8.2%) and excellent photocatalytic ability to degrade bisphenol A. The greatly promoted photoelectric and photocatalytic performance results from the synergetic effects of the architecture design of high-active (0 0 1) facets and hierarchical heterojunctions. The mechanism analysis reveals that the remarkable increase of photogenerated carrier concentration (2.40 × 10 22 cm −3 ) improves photocatalytic activity, by virtue of constructing staggered energy levels, suppressing the recombination of electrons and holes, and extending the electron lifetime (133 ms)

  20. Hierarchical architectures TiO2: Pollen-inducted synthesis, remarkable crystalline-phase stability, tunable size, and reused photo-catalysis

    International Nuclear Information System (INIS)

    Dou, Lingling; Gao, Lishuang; Yang, Xiaohui; Song, Xiuqin

    2012-01-01

    Highlights: ► The synthetic method is much milder and simpler than that of conventional methods. ► The obtained hierarchical TiO 2 shows three interesting hierarchical morphology. ► The products have tunable crystal phase structures. ► The pure phase of anatase can be retained after being annealed at 900 °C. ► The product exhibits higher and reused photo-catalytic activity. - Abstract: TiO 2 with hierarchical architectures, tunable crystalline phase and thermal stability is successfully fabricated on a large scale through a facile hydrolysis process of TiCl 4 combining with inducing of pollen. The structure of the as-prepared TiO 2 is characterized by X-ray diffraction, Raman spectroscopy, infrared spectra, and scanning electron microscopy. The experimental results indicate that different phases (anatase, rutile or mixed crystallite) of TiO 2 can be synthesized by controlling the experimental conditions. The pure phase of rutile or anatase can be obtained at 100 °C, while the pure phase of anatase can be retained after being annealed at 900 °C. The hierarchical structures TiO 2 are constitute through self-assembly of nanoparticles or nanorods TiO 2 , which exhibit high and reused photo-catalytic properties for degradation of methylene blue.

  1. First-principles study of Mn-S codoped anatase TiO2

    Science.gov (United States)

    Li, Senlin; Huang, Jinliang; Ning, Xiangmei; Chen, Yongcha; Shi, Qingkui

    2018-04-01

    In this work, the CASTEP program in Materials Studio 2017 software package was applied to calculate the electronic structures and optical properties of pure anatase TiO2, S-doped, Mn-doped and Mn-S co-doped anatase TiO2 by GGA + U methods based on the density function theory (DFT). The results indicate that the lattice is distorted and the lattice constant is reduce due to doping. The doping also introduces impurity energy levels into the forbidden band. After substitution of Mn for Ti atom, band gap narrowing of anatase TiO2 is caused by the impurity energy levels appearance in the near Fermi surface, which are contributed by Mn-3d orbital, Ti-3d orbital and O-2p orbital hybridization. After substitution of S for O atom, band gap narrowing is creited with the shallow accepter level under the conduction hand of S-3p orbital. The Mn-S co-doped anatase TiO2 could be a potential candidate for a photocatalyst because of tis enhanced absorption ability of visible light. The results can well explain the immanent cause of a band gap narrowing as well as a red shift in the spectrum for doped anatase TiO2.

  2. Selective defunctionalization by TiO2 of monomeric phenolics from lignin pyrolysis into simple phenols.

    Science.gov (United States)

    Mante, Ofei D; Rodriguez, Jose A; Babu, Suresh P

    2013-11-01

    This study is focused on defunctionalizing monomeric phenolics from lignin into simple phenols for applications such as phenol/formaldehyde resins, epoxidized novolacs, adhesives and binders. Towards this goal, Titanium dioxide (TiO2) was used to selectively remove hydroxyl, methoxy, carbonyl and carboxyl functionalities from the monomeric phenolic compounds from lignin to produce mainly phenol, cresols and xylenols. The results showed that anatase TiO2 was more selective and active compared to rutile TiO2. Catechols were found to be the most reactive phenolics and 4-ethylguaiacol the least reactive with anatase TiO2. An overall conversion of about 87% of the phenolics was achieved at 550°C with a catalyst-to-feed ratio of 5 w/w. Over 97% conversion of phenolics is achievable at moderate temperatures (550°C or ≤ 600°C) and a moderate catalyst-to-feed ratio of 6.5:1. The reactivity of catechols on TiO2 suggests that titania is a promising catalyst in the removal of hydroxyl moiety. Published by Elsevier Ltd.

  3. Gold and TiO2 Nanostructure Surfaces for Assembling of Electrochemical Biosensors

    International Nuclear Information System (INIS)

    Curulli, A.; Zane, D.

    2008-01-01

    Devices based on nano materials are emerging as a powerful and general class of ultrasensitive sensors for the direct detection of biological and chemical species. In this work, we report the preparation and the full characterization of nano materials such as gold nano wires and TiO 2 nano structured films to be used for assembling of electrochemical biosensors. Gold nano wires were prepared by electroless deposition within the pores of polycarbonate particle track-etched membranes (PMS). Glucose oxidase was deposited onto the nano wires using self-assembling monolayer as an anchor layer for the enzyme molecules. Finally, cyclic voltammetry was performed for different enzymes to test the applicability of gold nano wires as biosensors. Considering another interesting nano material, the realization of functionalized TiO 2 thin films on Si substrates for the immobilization of enzymes is reported. Glucose oxidase and horseradish peroxidase immobilized onto TiO 2 -based nano structured surfaces exhibited a pair of well-defined and quasi reversible voltammetric peaks. The electron exchange between the enzyme and the electrodes was greatly enhanced in the TiO 2 nano structured environment. The electrocatalytic activity of HRP and GOD embedded in TiO 2 electrodes toward H 2 O 2 and glucose, respectively, may have a potential perspective in the fabrication of third-generation biosensors based on direct electrochemistry of enzymes.

  4. Ab-initio calculation and experimental observation of room temperature ferromagnetism in 50 keV nitrogen implanted rutile TiO2

    Science.gov (United States)

    Luitel, Homnath; Chakrabarti, Mahuya; Sarkar, A.; Dechoudhury, S.; Bhowmick, D.; Naik, V.; Sanyal, D.

    2018-02-01

    Room temperature magnetic properties of 50 keV N4+ ion beam implanted rutile TiO2 have been theoretically and experimentally studied. Ab-initio calculation under the frame work of density functional theory has been carried out to study the magnetic properties of the different possible nitrogen related defects in TiO2. Spin polarized density of states calculation suggests that both Ninst and NO can induce ferromagnetic ordering in rutile TiO2. In both cases the 2p orbital electrons of nitrogen atom give rise to the magnetic moment in TiO2. The possibility of the formation of N2 molecule in TiO2 system is also studied but in this case no significant magnetic moment has been observed. The magnetic measurements, using SQUID magnetometer, results a ferromagnetic ordering even at room temperature for the 50 keV N4+ ion beam implanted rutile TiO2.

  5. Promoted Fixation of Molecular Nitrogen with Surface Oxygen Vacancies on Plasmon-Enhanced TiO2 Photoelectrodes.

    Science.gov (United States)

    Li, Chengcheng; Wang, Tuo; Zhao, Zhi-Jian; Yang, Weimin; Li, Jian-Feng; Li, Ang; Yang, Zhilin; Ozin, Geoffrey A; Gong, Jinlong

    2018-02-19

    A hundred years on, the energy-intensive Haber-Bosch process continues to turn the N 2 in air into fertilizer, nourishing billions of people while causing pollution and greenhouse gas emissions. The urgency of mitigating climate change motivates society to progress toward a more sustainable method for fixing N 2 that is based on clean energy. Surface oxygen vacancies (surface O vac ) hold great potential for N 2 adsorption and activation, but introducing O vac on the very surface without affecting bulk properties remains a great challenge. Fine tuning of the surface O vac by atomic layer deposition is described, forming a thin amorphous TiO 2 layer on plasmon-enhanced rutile TiO 2 /Au nanorods. Surface O vac in the outer amorphous TiO 2 thin layer promote the adsorption and activation of N 2 , which facilitates N 2 reduction to ammonia by excited electrons from ultraviolet-light-driven TiO 2 and visible-light-driven Au surface plasmons. The findings offer a new approach to N 2 photofixation under ambient conditions (that is, room temperature and atmospheric pressure). © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Hydrothermal transformation of titanate nanotubes into single-crystalline TiO2 nanomaterials with controlled phase composition and morphology

    International Nuclear Information System (INIS)

    Xu, Yuanmei; Fang, Xiaoming; Xiong, Jian; Zhang, Zhengguo

    2010-01-01

    Single-crystalline TiO 2 nanomaterials were synthesized by hydrothermally treating suspensions of H-titanate nanotubes and characterized by XRD, TEM, and HRTEM. The effects of the pH values of the suspensions and the hydrothermal temperatures on the phase composition and morphology of the obtained TiO 2 nanomaterials were systematically investigated. The H-titanate nanotubes were predominately transformed into anatase nanoparticle with rhombic shape when the pH value was greater than or equal to 1.0, whereas primarily turned into rutile nanorod with two pyramidal ends at the pH value less than or equal to 0.5. We propose a possible mechanism for hydrothermal transformation of H-titanate nanotubes into single-crystalline TiO 2 nanomaterials. While the H-titanate nanotubes transform into tiny anatase nanocrystallites of ca. 3 nm in size, the formed nanocrystallites as an intermediate grow into the TiO 2 nanomaterials with controlled phase composition and morphology. This growth process involves the steps of protonation, oriented attachment, and Ostwald ripening.

  7. Fabrication of a TiO2-P25/(TiO2-P25+TiO2 nanotubes junction for dye sensitized solar cells

    Directory of Open Access Journals (Sweden)

    Nguyen Huy Hao

    2016-08-01

    Full Text Available The dye sensitized solar cell (DSSC, which converts solar light into electric energy, is expected to be a promising renewable energy source for today's world. In this work, dye sensitized solar cells, one containing a single layer and one containing a double layer, were fabricated. In the double layer DSSC structure, the under-layer was TiO2-P25 film, and the top layer consisted of a mixture of TiO2-P25 and TiO2 nanotubes. The results indicated that the efficiency of the DSSC with the double layer structure was a significant improvement in comparison to the DSSC consisting of only a single film layer. The addition of TiO2-P25 in the top layer caused an improvement in the adsorption of dye molecules on the film rather than on the TiO2 nanotubes only. The presence of the TiO2 nanotubes together with TiO2-P25 in the top layer revealed the enhancement in harvesting the incident light and an improvement of electron transport through the film.

  8. TiO2 beads and TiO2-chitosan beads for urease immobilization

    International Nuclear Information System (INIS)

    Ispirli Doğaç, Yasemin; Deveci, İlyas; Teke, Mustafa; Mercimek, Bedrettin

    2014-01-01

    The aim of the present study is to synthesize TiO 2 beads for urease immobilization. Two different strategies were used to immobilize the urease on TiO 2 beads. In the first method (A), urease enzyme was immobilized onto TiO 2 beads by adsorption and then crosslinking. In the second method (B), TiO 2 beads were coated with chitosan-urease mixture. To determine optimum conditions of immobilization, different parameters were investigated. The parameters of optimization were initial enzyme concentration (0.5; 1; 1.5; 2 mg/ml), alginate concentration (1; 2; 3%), glutaraldehyde concentration (1; 2; 3% v/v) and chitosan concentration (2; 3; 4 mg/ml). The optimum enzyme concentrations were determined as 1.5 mg/ml for A and 1.0 mg/ml for B. The other optimum conditions were found 2.0% (w/v) for alginate concentration (both A and B); 3.0 mg/ml for chitosan concentration (B) and 2.0% (v/v) for glutaraldehyde concentration (A). The optimum temperature (20-60 °C), optimum pH (3.0-10.0), kinetic parameters, thermal stability (4–70 °C), pH stability (4.0-9.0), operational stability (0-230 min) and reusability (20 times) were investigated for characterization. The optimum temperatures were 30 °C (A), 40 °C (B) and 35 °C (soluble). The temperature profiles of the immobilized ureases were spread over a large area. The optimum pH values for the soluble urease and immobilized urease prepared by using methods (A) and (B) were found to be 7.5, 7.0, 7.0, respectively. The thermal stabilities of immobilized enzyme sets were studied and they maintained 50% activity at 65 °C. However, at this temperature free urease protected only 15% activity. - Highlights: • TiO 2 and TiO 2 -chitosan beads for urease immobilization have been prepared and characterized. • The beads used in this work are good matrices for the immobilization of urease. • The immobilized urease was shown to have good properties and stabilities (pH and thermal stability, operational stability). • The 50% activity was protected after 11 cycles for method A and 16 cycles for method B

  9. Interaction and nanotoxic effect of TiO2 nanoparticle on fibrinogen by multi-spectroscopic method

    International Nuclear Information System (INIS)

    Wang, Chao; Li, Ying

    2012-01-01

    Toxicological effects of nanoparticles (NPs) are still poorly documented while there are great demands for industrial applications and daily life. The aim of this study is to evaluate the influence of physicochemical characteristics on TiO 2 NP toxicological effects toward protein. In order to better understand the physicochemical basis of the toxic of NP in industrial applications and under conditions of environmental exposure, we performed an array of photophysical measurements to quantify the interaction of TiO 2 NP with protein. Fluorescence quenching, circular dichroism, dynamic light scattering and transmission electron microscopy measurements were performed on TiO 2 NP having a diameter range from 10 to 35 nm in the performance of protein. We find that the TiO 2 NP strongly associates with protein where the binding constant, as well as the degree of cooperativity of particle–protein binding, depends on particle size. We also find tentative evidence that the protein undergoes conformational change upon association with the NP. These results indicate that exposure to TiO 2 NP may have an unfavorable effect on human health by inactivating functional proteins. - Highlights: ► The binding constants for fibrinogen onto TiO 2 NPs depend on particle size. ► CD results showed that the structural changes of protein are quite small. ► The adsorbed protein to cause the TiO 2 NP to aggregate was indicated by DLS and TEM.

  10. Reduced graphene oxide is not a universal promoter for photocatalytic activities of TiO2

    Directory of Open Access Journals (Sweden)

    Hui Ling Tan

    2017-03-01

    Full Text Available Addition of reduced graphene oxide (RGO to P25 TiO2 was made and its impacts on photocatalytic oxidation of various organic substances were studied. Although the presence of RGO in TiO2 can enhance certain TiO2-based photocatalytic reactions, it is not a universal observation that can be expected in all types of organic substances. The factor of photocatalytic activity enhancement is strongly affected by the various functional groups appeared in the organic substances. In this work, it is realised that the length of alkyl chain in alcohols and carboxylic acids have the minimum influence on the overall activity while the number of hydroxyl groups can promote the further activity enhancement in the presence of RGO.

  11. Temperature dependence of gas sensing behaviour of TiO2 doped PANI composite thin films

    Science.gov (United States)

    Srivastava, Subodh; Sharma, S. S.; Sharma, Preetam; Sharma, Vinay; Rajura, Rajveer Singh; Singh, M.; Vijay, Y. K.

    2014-04-01

    In the present work we have reported the effect of temperature on the gas sensing properties of TiO2 doped PANI composite thin film based chemiresistor type gas sensors for hydrogen gas sensing application. PANI and TiO2 doped PANI composite were synthesized by in situ chemical oxidative polymerization of aniline at low temperature. The electrical properties of these composite thin films were characterized by I-V measurements as function of temperature. The I-V measurement revealed that conductivity of composite thin films increased as the temperature increased. The changes in resistance of the composite thin film sensor were utilized for detection of hydrogen gas. It was observed that at room temperature TiO2 doped PANI composite sensor shows higher response value and showed unstable behavior as the temperature increased. The surface morphology of these composite thin films has also been characterized by scanning electron microscopy (SEM) measurement.

  12. Bio-functionalizing of α-MnO_2 nanorods with natural L-amino acids: A favorable adsorbent for the removal of Cd(II) ions

    International Nuclear Information System (INIS)

    Mallakpour, Shadpour; Motirasoul, Forough

    2017-01-01

    α-MnO_2 nanorods were prepared by hydrothermal method and then the surface of these nanorods were covalently biofunctionalized with natural L-amino acids (alanine, phenylalanine, leucine, isoleucine, methionine, and valine). The modified α-MnO_2 nanorods were analyzed by Fourier transform infrared spectroscopy and X-ray diffraction. Morphological studies were carried out by field emission scanning electron microscopy and transmission electron microscopy. The morphology of nanorods was improved after biofunctionalization and aggregation was reduced. In addition, the thermal gravimetric analysis was used for demonstrating a successful grafting of amino acids to the surface of α-MnO_2 nanorods and determine the degree of functionalization. The amount of amino acids grafted onto α-MnO_2 surface was estimated to be 5–32 wt%. Finally, the α-MnO_2 and α-MnO_2-L-valine were investigated as adsorbents for the removal of cadmium ions from aqueous solution. The results showed that they have a potential to be used as effective adsorbents for cadmium ions removal from the aqueous solution. The equilibrium adsorption data showed the best fit for the pseudo-second-order and the Freundlich models. - Highlights: • α-MnO_2 nanorods were biofunctionalized with natural L-amino acids. • Biofunctionalized α-MnO_2 nanorods by solvothermal strategy were fully characterized. • Cadmium adsorption property of α-MnO_2 and α-MnO_2-L-valine was studied.

  13. Deposition of gold nanoparticles from colloid on TiO2 surface

    Science.gov (United States)

    Rehacek, Vlastimil; Hotovy, Ivan

    2017-11-01

    In this paper, experimental results are presented on the deposition of colloidal gold nanoparticles on the surfaces of TiO2 prepared on silicon/silicon dioxide. Important procedures, such as titanium dioxide surface hydrophilization as well as functionalization by an organosilane coupling agent (3-aminopropyl) trimethoxysilane and (3-mercaptopropyl) trimethoxysilane were investigated in order to obtain a metal oxide surface with the most convenient properties for immobilization of gold nanoparticles having a dense and uniform distribution. TiO2 nanotips prepared by reactive ion etching of oxide surface covered with self-mask gold nanoparticles are demonstrated.

  14. Peptide Functionalized Gold Nanorods for the Sensitive Detection of a Cardiac Biomarker Using Plasmonic Paper Devices (Postprint)

    Science.gov (United States)

    2015-11-10

    Albumin to saturate the non-specific binding sites on the paper substrate prior to troponin exposure. For testing the biosensor, troponin of various...AFRL-RX-WP-JA-2016-0191 PEPTIDE FUNCTIONALIZED GOLD NANORODS FOR THE SENSITIVE DETECTION OF A CARDIAC BIOMARKER USING PLASMONIC PAPER ...SENSITIVE DETECTION OF A CARDIAC BIOMARKER USING PLASMONIC PAPER DEVICES (POSTPRINT) 5a. CONTRACT NUMBER FA8650-15-D-5405-0001 5b. GRANT NUMBER 5c

  15. Controlled Directional Growth of TiO2 Nanotubes

    DEFF Research Database (Denmark)

    In, Su-il; Hou, Yidong; Abrams, Billie

    2010-01-01

    We demonstrate how the anodization direction and growth rate of vertically aligned, highly ordered TiO2 nanotube (NT) arrays can be controlled and manipulated by the local concentration of O-2 in the electrolyte. This leads to the growth of highly active TiO2 NT arrays directly on nonconducting s...

  16. Silicon protected with atomic layer deposited TiO2

    DEFF Research Database (Denmark)

    Seger, Brian; Tilley, S. David; Pedersen, Thomas

    2013-01-01

    The present work demonstrates that tuning the donor density of protective TiO2 layers on a photocathode has dramatic consequences for electronic conduction through TiO2 with implications for the stabilization of oxidation-sensitive catalysts on the surface. Vacuum annealing at 400 °C for 1 hour o...

  17. Preparation, characterization and photocatalytic activity of TiO2 ...

    Indian Academy of Sciences (India)

    Photocatalyst; TiO2 nanoparticle; polyaniline; conducting polymer; core-shell nanocomposite. 1. Introduction ..... tine TiO2 nanoparticles, HCl-doped PANI and PANI/TiO2 ..... Karim M R, Lim K T, Lee M S, Kim K and Yeum J H 2009 Synth. Met.

  18. How Pt nanoparticles affect TiO2-induced gas-phase photocatalytic oxidation reactions

    NARCIS (Netherlands)

    Fraters, B.D.; Amrollahi Buky, Rezvaneh; Mul, Guido

    2015-01-01

    The effect of Pt nanoparticles on the gas-phase photocatalytic oxidation activity of TiO2 is shown to be largely dependent on the molecular functionality of the substrate. We demonstrate that Pt nanoparticles decrease rates in photocatalytic oxidation of propane, whereas a strong beneficial effect

  19. Bonding of gold nanoclusters to oxygen vacancies on rutile TiO2(110)

    DEFF Research Database (Denmark)

    Lopez, Nuria; schaub, R.; Thostrup, P.

    2003-01-01

    Through an interplay between scanning tunneling microscopy (STM) and density functional theory (DFT) calculations, we show that bridging oxygen vacancies are the active nucleation sites for Au clusters on the rutile TiO2(110) surface. We find that a direct correlation exists between a decrease in...

  20. Absorption spectra of trapped holes in anatase TiO2

    DEFF Research Database (Denmark)

    Zawadzki, Pawel

    2013-01-01

    absorption spectroscopy (TAS), but the understanding of the optical absorption due to trapped carriers in TiO2 is incomplete. On the basis of the generalized Δ self-consistent field density functional theory (Δ-SCF DFT) calculations, we attribute the experimentally observed absorption band at 430-550 nm...

  1. Enrichment and sensitive detection of polyphenolic compounds via β-cyclodextrin functionalized fluorescent gold nanorods

    International Nuclear Information System (INIS)

    Luo, Jinmei; Zhang, Jiahui; Lin, Jianxing; Wang, Jinhui; Yang, Peihui

    2015-01-01

    We report on a simple and rapid method for the enrichment of polyphenolic compounds (pPhCs) by means of gold nanorods whose surface was functionalized with a monolayer of β-cyclodextrin (β-CD-AuNRs) via thiol chemistry. Enrichment is based on the formation of inclusion complexes between pPhCs and β-cyclodextrin through hydrophobic interactions and hydrogen bonding. Fourier transform infrared spectroscopy, mass spectrometry, and transmission electron microscopy were applied to confirm the inclusion of the pPhCs. Moreover, binding leads to a quenching of the red fluorescence of the AuNRs. This effect can be applied to quantify the polyphenols mangiferin, chrysin, and daphnetin with detection limits at 5 nM, 15 nM, and 20 nM concentrations, respectively. Water samples were spiked with pPhCs, and their extraction by using β-CD-AuNRs gave recoveries ranging from 97.6 to 110.2 %. (author)

  2. Structural, Optical, Morphological and Elemental Analysis on Sol-gel Synthesis of Ni Doped TiO2 Nanocrystallites

    Directory of Open Access Journals (Sweden)

    T. Sakthivel

    2017-06-01

    Full Text Available Pure and Ni doped titanium dioxide nanoparticles were successfully synthesized by sol-gel method and characterized usingXRD, UV-Visible, FTIR, FESEM and EDS techniques. XRD pattern confirms the formation of tetragonal TiO2. The absorbance spectra of pure and Ni doped TiO2 showed absorption spectrum at ultra-violet region due to electronic transition between bonding and anti-bonding orbital (π-π•. Bandgap energy of Ni doped TiO2 decreased to 2.5 eV when compared to pure TiO2 (3.39 eV. FESEM study reveals agglomerated spherical shaped morphology. The functional groups of the prepared samples were identified using FTIR spectroscopy and the elemental analysis was further supported with EDS analysis.

  3. Crystalline TiO2 grafted with poly(2-methacryloyloxyethyl phosphorylcholine) via surface-initiated atom-transfer radical polymerization

    International Nuclear Information System (INIS)

    Zhao Yuancong; Tu Qiufen; Wang Jin; Huang Qiongjian; Huang Nan

    2010-01-01

    Crystalline TiO 2 films were prepared by unbalanced magnetron sputtering and the structure was confirmed by XRD. An organic layer of 11-hydroxyundecylphosphonic acid (HUPA) was prepared on the TiO 2 films by self-assembling, and the HUPA on TiO 2 films was confirmed by FTIR analysis. Simultaneously, hydroxyl groups were introduced in the phosphonic acid molecules to provide a functionality for further chemical modification. 2-Methacryloyloxyethyl phosphorylcholine (MPC), a biomimetic monomer, was chemically grafted on the HUPA surfaces at room temperature by surface-initiated atom-transfer radical polymerization. The surface characters of TiO 2 films modified by poly-MPC were confirmed by FTIR, XPS and SEM analysis. Platelet adhesion experiment revealed that poly-MPC modified surface was effective to inhibit platelet adhesion in vitro.

  4. Crystalline TiO 2 grafted with poly(2-methacryloyloxyethyl phosphorylcholine) via surface-initiated atom-transfer radical polymerization

    Science.gov (United States)

    Zhao, Yuancong; Tu, Qiufen; Wang, Jin; Huang, Qiongjian; Huang, Nan

    2010-12-01

    Crystalline TiO 2 films were prepared by unbalanced magnetron sputtering and the structure was confirmed by XRD. An organic layer of 11-hydroxyundecylphosphonic acid (HUPA) was prepared on the TiO 2 films by self-assembling, and the HUPA on TiO 2 films was confirmed by FTIR analysis. Simultaneously, hydroxyl groups were introduced in the phosphonic acid molecules to provide a functionality for further chemical modification. 2-Methacryloyloxyethyl phosphorylcholine (MPC), a biomimetic monomer, was chemically grafted on the HUPA surfaces at room temperature by surface-initiated atom-transfer radical polymerization. The surface characters of TiO 2 films modified by poly-MPC were confirmed by FTIR, XPS and SEM analysis. Platelet adhesion experiment revealed that poly-MPC modified surface was effective to inhibit platelet adhesion in vitro.

  5. Optimized nanostructured TiO2 photocatalysts

    Science.gov (United States)

    Topcu, Selda; Jodhani, Gagan; Gouma, Pelagia

    2016-07-01

    Titania is the most widely studied photocatalyst. In it’s mixed-phase configuration (anatase-rutile form) -as manifested in the commercially available P25 Degussa material- titania was previously found to exhibit the best photocatalytic properties reported for the pure system. A great deal of published research by various workers in the field have not fully explained the underlying mechanism for the observed behavior of mixed-phase titania photocatalysts. One of the prevalent hypothesis in the literature that is tested in this work involves the presence of small, active clusters of interwoven anatase and rutile crystallites or “catalytic “hot-spots””. Therefore, non-woven nanofibrous mats of titania were produced and upon calcination the mats consisted of nanostructured fibers with different anatase-rutile ratios. By assessing the photocatalytic and photoelectrochemical properties of these samples the optimized photocatalyst was determined. This consisted of TiO2 nanostructures annealed at 500˚C with an anatase /rutile content of 90/10. Since the performance of this material exceeded that of P25 complete structural characterization was employed to understand the catalytic mechanism involved. It was determined that the dominant factors controlling the photocatalytic behavior of the titania system are the relative particle size of the different phases of titania and the growth of rutile laths on anatase grains which allow for rapid electron transfer between the two phases. This explains how to optimize the response of the pure system.

  6. Gold nanoparticles-immobilized, hierarchically ordered, porous TiO2 nanotubes for biosensing of glutathione

    Directory of Open Access Journals (Sweden)

    Sheen Mers SV

    2015-10-01

    Full Text Available SV Sheen Mers,1,2 Elumalai Thambuswamy Deva Kumar,1 V Ganesh1,2 1Electrodics and Electrocatalysis (EEC Division, Council of Scientific and Industrial Research–Central Electrochemical Research Institute (CSIR–CECRI, Karaikudi, Tamil Nadu, India; 2Academy of Scientific and Innovative Research (AcSIR, New Delhi, India Abstract: Glutathione (GSH is vital for several functions of our human body such as neutralization of free radicals and reactive oxygen compounds, maintaining the active forms of vitamin C and E, regulation of nitric oxide cycle, iron metabolism, etc. It is also an endogenous antioxidant in most of the biological reactions. Given the importance of GSH, a simple strategy is proposed in this work to develop a biosensor for quantitative detection of GSH. This particular biosensor comprises of gold nanoparticles (Au NPs-immobilized, hierarchically ordered titanium dioxide (TiO2 porous nanotubes. Hexagonally arranged, honeycomb-like nanoporous tubular TiO2 electrodes are prepared by using a simple electrochemical anodization process by applying a constant potential of 30 V for 24 hours using ethylene glycol consisting of ammonium fluoride as an electrolytic medium. Structural morphology and crystalline nature of such TiO2 nanotubes are analyzed using field emission scanning electron microscope (FESEM and X-ray diffraction (XRD. Interestingly, nanocomposites of TiO2 with Au NPs is prepared in an effort to alter the intrinsic properties of TiO2, especially tuning of its band gap. Au NPs are prepared by a well-known Brust and Schiffrin method and are immobilized onto TiO2 electrodes which act as a perfect electrochemical sensing platform for GSH detection. Structural characterization and analysis of these modified electrodes are performed using FESEM, XRD, and UV-visible spectroscopic studies. GSH binding events on Au NPs-immobilized porous TiO2 electrodes are monitored by electrochemical techniques, namely, cyclic voltammetry (CV and

  7. Antimicrobial Activities of TiO2 Nanoparticle Against Escherichia coli and Staphylococcus aureus

    Directory of Open Access Journals (Sweden)

    F Barzegary

    2010-04-01

    Full Text Available Introduction: Organic antibacterial materials have been used as insecticides and bactericides for many years. Unfortunately, high temperatures in manufacturing process reduce their antibacterial properties. However, inorganic materials of antibacterial agents have excellent bacterial resistance and thermal stability. Over the past few decades, inorganic nanoparticles whose structures exhibit significantly novel and improved physical, chemical and biological properties and functionality due to their nano-scale size have elicited much interest. methods:The aim of this study was to investigate the antibacterial properties of one kind of nano-specimen (TiO2 nanoparticle against Escherichia coli and Streptococcus aureus. Our study was research perusal. In the first study, the optical density of E. coli and S. aureus cultures were observed in the presence of 0.01%, 0.75% and 1.5% of TiO2. In the second study, 6.3 log CFU/ml of E. coli and S. areus were separately exposed to 1.5% TiO2 at 37 ºC in water. In third study, we studied thew growth of E.coli in solid medium with and without nanoparticles. Results: The presence of 0.01% TiO2 nanoparticles didn’t have a statistically significant effect, but in the presence of 0.75% and 1.5% nanoparticles, the bacterial colonies decreased significantly. In the control group, bacterial cells survival was nearly 13 days, while complete cell death of E. coli was seen when 1.5% TiO2 was applied for 24 hours. The same experiment for S. aureu, showed that complete cell death occured when the bacterial culture was exposed to 1.5% TiO2 for 16 hours.. It was shown that presence of 1.5% TiO2 in the solid medium suppressed the growth of E. coli 5.6 times more (p < 0.001. Discussion: Our findings showed antibacterial effects of TiO2 nanoparticles against both bacteria, but S. areus bacteria were more sensitive to nanoparticles as compared to E. coli bacteria

  8. Understanding the synergistic effects, optical and electronic properties of ternary Fe/C/S-doped TiO2 anatase within the DFT 1 U approach

    CSIR Research Space (South Africa)

    Opoku, F

    2017-09-01

    Full Text Available property of TiO2doped with Fe, C, and S are investigated in detail using the density functional theory + U method. The calculated band gap (3.21 eV) of TiO2anatase agree well with the experimental band gap (3.20 eV). The defect formation energy shows...

  9. Electronic, elastic, acoustic and optical properties of cubic TiO2: A DFT approach

    International Nuclear Information System (INIS)

    Mahmood, Tariq; Cao, Chuanbao; Tahir, Muhammad; Idrees, Faryal; Ahmed, Maqsood; Tanveer, M.; Aslam, Imran; Usman, Zahid; Ali, Zulfiqar; Hussain, Sajad

    2013-01-01

    The electronic, elastic, acoustic and optical properties of cubic phases TiO 2 fluorite and pyrite are investigated using the first principles calculations. We have employed five different exchange–correlation functions within the local density and generalized gradient approximations using the ultrasoft plane wave pseudopotential method. The calculated band structures of cubic-TiO 2 elucidate that the TiO 2 fluorite and pyrite are direct and indirect semiconductors in contrast to the previous findings. From our studied properties such as bulk and shear moduli, elastic constants C 44 and Debye temperature for TiO 2 fluorite and pyrite, we infer that both the cubic phases are not superhard materials and the pyrite phase is harder than fluorite. The longitudinal and transversal acoustic wave speeds for both phases in the directions [100], [110] and [111] are determined using the pre-calculated elastic constants. In addition, we also calculate the optical properties such as dielectric function, absorption spectrum, refractive index and energy loss function using the pre-optimized structure. On the observation of optical properties TiO 2 fluorite phase turn out to be more photocatalytic than pyrite

  10. Impact of the self-assembly of multilayer polyelectrolyte functionalized gold nanorods and its application to biosensing

    International Nuclear Information System (INIS)

    Li Xin; Qian Jun; He Sailing

    2008-01-01

    Multilayered polyelectrolyte functionalized gold nanorods (GNRs) are reported for the conjugation of and sensitive detection of bio-molecules. Multilayered polyelectrolyte functionalized GNRs can significantly improve the biocompatibility of cetyltrimethylammonium bromide (CTAB) coated GNRs in a bio-environment and can diminish the toxicity induced by CTAB. Biotin, bovine serum albumin (BSA)-biotin and streptavidin are conjugated to polyelectrolyte functionalized GNRs, and the conjugates can serve as a platform for many biotin-streptavidin-based biological applications. Through the robust self-assembly effect of GNRs, biotin-conjugated GNRs are also utilized as a very sensitive probe for the detection of a small amount of streptavidin

  11. Antibacterial activity and inflammation inhibition of ZnO nanoparticles embedded TiO2 nanotubes

    Science.gov (United States)

    Yao, Shenglian; Feng, Xujia; Lu, Jiaju; Zheng, Yudong; Wang, Xiumei; Volinsky, Alex A.; Wang, Lu-Ning

    2018-06-01

    Titanium (Ti) with nanoscale structure on the surface exhibits excellent biocompatibility and bone integration. Once implanted, the surgical implantation may lead to bacterial infection and inflammatory reaction, which cause the implant failure. In this work, irregular and nanorod-shaped ZnO nanoparticles were doped into TiO2 nanotubes (TNTs) with inner diameter of about 50 nm by electro-deposition. The antibacterial properties of ZnO incorporated into TiO2 nanotubes (TNTs/ZnO) were evaluated using Staphylococcus aureus (S. aureus). Zn ions released from the nanoparticles and the morphology could work together, improving antibacterial effectiveness up to 99.3% compared with the TNTs. Macrophages were cultured on the samples to determine their respective anti-inflammatory properties. The proliferation and viability of macrophages were evaluated by the CCK-8 method and Live&Dead stain, and the morphology of the cells was observed by scanning electron microscopy. Results indicated that TNTs/ZnO has a significant inhibitory effect on the proliferation and adhesion of macrophages, which could be used to prevent chronic inflammation and control the inflammatory reaction. Besides, the release of Zn ions from the ZnO nanoparticles is a long-term process, which could be beneficial for bone integration. Results demonstrate that ZnO deposited into TNTs improved the antibacterial effectiveness and weakened the inflammatory reaction of titanium-based implants, which is a promising approach to enhance their bioactivity.

  12. Hydroxyapatite nanorod and microsphere functionalized with bioactive lactoferrin as a new biomaterial for enhancement bone regeneration.

    Science.gov (United States)

    Shi, Pujie; Wang, Qun; Yu, Cuiping; Fan, Fengjiao; Liu, Meng; Tu, Maolin; Lu, Weihong; Du, Ming

    2017-07-01

    Lactoferrin (LF) has been recently recognized as a promising new novel bone growth factor for the beneficial effects on bone cells and promotion of bone growth. Currently, it has been attracted wide attention in bone regeneration as functional food additives or a potential bioactive protein in bone tissue engineering. The present study investigated the possibility that hydroxyapatite (HAP) particles, a widely used bone substitute material for high biocompatibility and osteoconductivity, functionalized with lactoferrin as a composite material are applied to bone tissue engineering. Two kinds of hydroxyapatite samples with different sizes, including nanorods and microspheres particles, were functionalized with lactoferrin molecules, respectively. A detailed characterization of as-prepared HAP-LF complex is presented, combining thermal gravimetric analysis (TGA) and Fourier Transform Infrared Spectroscopy (FT-IR). Zeta potential and the analysis of electrostatic surface potential of lactoferrin were carried to reveal the mechanism of adsorption. The effects of HAP-LF complex on MC3T3-E1 osteoblast proliferation and morphology were systematically evaluated at different culture time. Interestingly, results showed that cell viability of HAP-LF group was significantly higher than HAP group indicating that the HAP-LF can improve the biocompatibility of HAP, which mainly originated from a combination of HAP-LF interaction. These results indicated that hydroxyapatite particles can work as a controlled releasing carrier of lactoferrin successfully, and lactoferrin showed better potentiality on using in the field of bone regeneration by coupling with hydroxyapatite. This study would provide a new biomaterial and might offer a new insight for enhancement of bone regeneration. Copyright © 2017 Elsevier B.V. All rights reserved.

  13. Oriented epitaxial TiO2 nanowires for water splitting

    Science.gov (United States)

    Hou, Wenting; Cortez, Pablo; Wuhrer, Richard; Macartney, Sam; Bozhilov, Krassimir N.; Liu, Rong; Sheppard, Leigh R.; Kisailus, David

    2017-06-01

    Highly oriented epitaxial rutile titanium dioxide (TiO2) nanowire arrays have been hydrothermally grown on polycrystalline TiO2 templates with their orientation dependent on the underlying TiO2 grain. Both the diameter and areal density of the nanowires were tuned by controlling the precursor concentration, and the template surface energy and roughness. Nanowire tip sharpness was influenced by precursor solubility and diffusivity. A new secondary ion mass spectrometer technique has been developed to install additional nucleation sites in single crystal TiO2 templates and the effect on nanowire growth was probed. Using the acquired TiO2 nanowire synthesis knowhow, an assortment of nanowire arrays were installed upon the surface of undoped TiO2 photo-electrodes and assessed for their photo-electrochemical water splitting performance. The key result obtained was that the presence of short and dispersed nanowire arrays significantly improved the photocurrent when the illumination intensity was increased from 100 to 200 mW cm-2. This is attributed to the alignment of the homoepitaxially grown nanowires to the [001] direction, which provides the fastest charge transport in TiO2 and an improved pathway for photo-holes to find water molecules and undertake oxidation. This result lays a foundation for achieving efficient water splitting under conditions of concentrated solar illumination.

  14. Functionalized vertically aligned ZnO nanorods for application in electrolyte-insulator-semiconductor based pH sensors and label-free immuno-sensors

    International Nuclear Information System (INIS)

    Kumar, Narendra; Senapati, Sujata; Kumar, Jitendra; Panda, Siddhartha; Kumar, Satyendra

    2016-01-01

    Vertically aligned ZnO nanorods were grown on a SiO 2 /Si surface by optimization of the temperature and atmosphere for annealing of the seed. The seed layer annealed at 500 °C in vacuum provided well separated and uniform seeds which also provided the best condition to get densely packed, uniformly distributed, and vertically aligned nanorods. These nanorods grown on the substrates were used to fabricate electrolyte-insulator-semiconductor (EIS) devices for pH sensing. Etching of ZnO at acidic pH prevents the direct use of nanorods for pH sensing. Therefore, the nanorods functionalised with 3-aminopropyltriethoxysilane (APTES) were utilized for pH sensing and showed the pH sensitivity of 50.1 mV/pH. APTES is also known to be used as a linker to immobilize biomolecules (such as antibodies). The EIS device with APTES functionalized nanorods was used for the label free detection of prostate-specific antigen (PSA). Finally, voltage shifts of 23 mV and 35 mV were observed with PSA concentrations of 1 ng/ml and 100 ng/ml, respectively. (paper)

  15. TiO2/Gold nanocomposite as an extremely sensitive molecule sensor for NO2 detection: A DFT study

    Directory of Open Access Journals (Sweden)

    Amirali Abbasi

    2016-07-01

    Full Text Available First-principles calculations within density functional theory (DFT have been performed to investigate the interactions of NO2 molecules with TiO2/Gold nanocomposites in order to completely exploit the adsorption properties of these nanostructures. Given the need to further comprehend the behavior of the NO2 molecules positioned between the TiO2 nanoparticle and Au monolayer, we have geometrically optimized the complex systems consisting of the NO2 molecule oriented at appropriate positions between the nanoparticle and Au monolayer. The structural properties such as bond lengths, bond angles, adsorption energies and Mulliken population analysis and the electronic properties including the density of states and molecular orbitals have been also analyzed in detail. The results indicate that the interaction between NO2 and undoped TiO2-N/Gold nanocomposites is stronger than that between gas molecules and N-doped TiO2/Gold nanocomposites, which reveals that the pristine nanocomposite can react with NO2 molecule more efficiently. Therefore, the obtained results also suggest a theoretical basis for the potential applications of TiO2/Gold nanocomposites in gas sensing, which could help in the developing of novel TiO2 based advanced sensor devices.

  16. Fabrication of TiO2-modified polytetrafluoroethylene ultrafiltration membranes via plasma-enhanced surface graft pretreatment

    Science.gov (United States)

    Qian, Yingjia; Chi, Lina; Zhou, Weili; Yu, Zhenjiang; Zhang, Zhongzhi; Zhang, Zhenjia; Jiang, Zheng

    2016-01-01

    Surface hydrophilic modification of polymer ultrafiltration membrane using metal oxide represents an effective yet highly challenging solution to improve water flux and antifouling performance. Via plasma-enhanced graft of poly acryl acid (PAA) prior to coating TiO2, we successfully fixed TiO2 functional thin layer on super hydrophobic polytetrafluoroethylene (PTFE) ultrafiltration (UF) membranes. The characterization results evidenced TiO2 attached on the PTFE-based UF membranes through the chelating bidentate coordination between surface-grafted carboxyl group and Ti4+. The TiO2 surface modification may greatly reduce the water contact angle from 115.8° of the PTFE membrane to 35.0° without degradation in 30-day continuous filtration operations. The novel TiO2/PAA/PTFE membranes also exhibited excellent antifouling and self-cleaning performance due to the intrinsic hydrophilicity and photocatalysis properties of TiO2, which was further confirmed by the photo-degradation of MB under Xe lamp irradiation.

  17. Effects of TiO2 and Co3O4 Nanoparticles on Circulating Angiogenic Cells

    Science.gov (United States)

    Spigoni, Valentina; Cito, Monia; Alinovi, Rossella; Pinelli, Silvana; Passeri, Giovanni; Zavaroni, Ivana; Goldoni, Matteo; Campanini, Marco; Aliatis, Irene; Mutti, Antonio

    2015-01-01

    Background and Aim Sparse evidence suggests a possible link between exposure to airborne nanoparticles (NPs) and cardiovascular (CV) risk, perhaps through mechanisms involving oxidative stress and inflammation. We assessed the effects of TiO2 and Co3O4 NPs in human circulating angiogenic cells (CACs), which take part in vascular endothelium repair/replacement. Methods CACs were isolated from healthy donors’ buffy coats after culturing lymphomonocytes on fibronectin-coated dishes in endothelial medium for 7 days. CACs were pre-incubated with increasing concentration of TiO2 and Co3O4 (from 1 to 100 μg/ml) to test the effects of NP – characterized by Transmission Electron Microscopy – on CAC viability, apoptosis (caspase 3/7 activation), function (fibronectin adhesion assay), oxidative stress and inflammatory cytokine gene expression. Results Neither oxidative stress nor cell death were associated with exposure to TiO2 NP (except at the highest concentration tested), which, however, induced a higher pro-inflammatory effect compared to Co3O4 NPs (p<0.01). Exposure to Co3O4 NPs significantly reduced cell viability (p<0.01) and increased caspase activity (p<0.01), lipid peroxidation end-products (p<0.05) and pro-inflammatory cytokine gene expression (p<0.05 or lower). Notably, CAC functional activity was impaired after exposure to both TiO2 (p<0.05 or lower) and Co3O4 (p<0.01) NPs. Conclusions In vitro exposure to TiO2 and Co3O4 NPs exerts detrimental effects on CAC viability and function, possibly mediated by accelerated apoptosis, increased oxidant stress (Co3O4 NPs only) and enhancement of inflammatory pathways (both TiO2 and Co3O4 NPs). Such adverse effects may be relevant for a potential role of exposure to TiO2 and Co3O4 NPs in enhancing CV risk in humans. PMID:25803285

  18. TiO2 Deposition on AZ31 Magnesium Alloy Using Plasma Electrolytic Oxidation

    Directory of Open Access Journals (Sweden)

    Leon White

    2013-01-01

    Full Text Available Plasma electrolytic oxidation (PEO has been used in the past as a useful surface treatment technique to improve the anticorrosion properties of Mg alloys by forming protective layer. Coatings were prepared on AZ31 magnesium alloy in phosphate electrolyte with the addition of TiO2 nanoparticles using plasma electrolytic oxidation (PEO. This present work focuses on developing a TiO2 functional coating to create a novel electrophotocatalyst while observing the surface morphology, structure, composition, and corrosion resistance of the PEO coating. Microstructural characterization of the coating was investigated by X-ray diffraction (XRD and scanning electron microscopy (SEM followed by image analysis and energy dispersive spectroscopy (EDX. The corrosion resistance of the PEO treated samples was evaluated with electrochemical impedance spectroscopy (EIS and DC polarization tests in 3.5 wt.% NaCl. The XRD pattern shows that the components of the oxide film include Mg from the substrate as well as MgO and Mg2TiO4 due to the TiO2 nanoparticle addition. The results show that the PEO coating with TiO2 nanoparticles did improve the corrosion resistance when compared to the AZ31 substrate alloy.

  19. Water on Graphene-Coated TiO2: Role of Atomic Vacancies

    Science.gov (United States)

    2018-01-01

    Beyond two-dimensional (2D) materials, interfaces between 2D materials and underlying supports or 2D-coated metal or metal oxide nanoparticles exhibit excellent properties and promising applications. The hybrid interface between graphene and anatase TiO2 shows great importance in photocatalytic, catalytic, and nanomedical applications due to the excellent and complementary properties of the two materials. Water, as a ubiquitous and essential element in practical conditions and in the human body, plays a significant role in the applications of graphene/TiO2 composites for both electronic devices and nanomedicine. Carbon vacancies, as common defects in chemically prepared graphene, also need to be considered for the application of graphene-based materials. Therefore, the behavior of water on top and at the interface of defective graphene on anatase TiO2 surface was systematically investigated by dispersion-corrected hybrid density functional calculations. The presence of the substrate only slightly enhances the on-top adsorption and reduces the on-top dissociation of water on defective graphene. However, at the interface, dissociated water is largely preferred compared with undissociated water on bare TiO2 surface, showing a prominent cover effect. Reduced TiO2 may further induce oxygen diffusion into the bulk. Our results are helpful to understand how the presence of water in the surrounding environment affects structural and electronic properties of the graphene/TiO2 interface and thus its application in photocatalysis, electronic devices, and nanomedicine. PMID:29368503

  20. Influence of material properties on TiO2 nanoparticle agglomeration.

    Directory of Open Access Journals (Sweden)

    Dongxu Zhou

    Full Text Available Emerging nanomaterials are being manufactured with varying particle sizes, morphologies, and crystal structures in the pursuit of achieving outstanding functional properties. These variations in these key material properties of nanoparticles may affect their environmental fate and transport. To date, few studies have investigated this important aspect of nanoparticles' environmental behavior. In this study, the aggregation kinetics of ten different TiO2 nanoparticles (5 anatase and 5 rutile each with varying size was systematically evaluated. Our results show that, as particle size increases, the surface charge of both anatase and rutile TiO2 nanoparticles shifts toward a more negative value, and, accordingly, the point of zero charge shifts toward a lower value. The colloidal stability of anatase sphere samples agreed well with DLVO theoretical predictions, where an increase in particle size led to a higher energy barrier and therefore greater critical coagulation concentration. In contrast, the critical coagulation concentration of rutile rod samples correlated positively with the specific surface area, i.e., samples with higher specific surface area exhibited higher stability. Finally, due to the large innate negative surface charge of all the TiO2 samples at the pH value (pH = 8 tested, the addition of natural organic matter was observed to have minimal effect on TiO2 aggregation kinetics, except for the smallest rutile rods that showed decreased stability in the presence of natural organic matter.

  1. Understanding the effect of flower extracts on the photoconducting properties of nanostructured TiO2.

    Science.gov (United States)

    Ansari, S G; Bhayana, Laitka; Umar, Ahmad; Al-Hajry, A; Al-Deyab, Salem S; Ansari, Z A

    2012-10-01

    Here we report an easy method to improve the optoelectronic properties of commercially available TiO2 nanopowder using extracts of various flowers viz. Calendula Orange (CO), Calendula Yellow (CY), Dahlia Violet (DV), Dahlia Yellow (DY), Rabbit flower (RF), Sweet Poppy (SP), Sweet Williams (SW) and their Mixed Extracts (ME). Various analysis techniques such as UV-Vis, FTIR, FESEM, XRD, and Raman spectroscopy were used to characterize for elemental, structural and morphological properties of the unmixed/mixed TiO2 nanopowder. TiO2 nanopowder was also calcined at 550 degrees C. Thick films of the these unmixed/mixed powder were printed, using conventional screen printing method, on fluorine doped tin oxide (FTO) substrate with organic binders and dried at 45 degrees C. The photoconducting properties are investigated as a function of wavelength from ultra-violet (UV) to infra-red (IR) region at a constant illumination intensity. Photocurrent gradually decreases when irradiated from UV to IR region. In case of unmixed and uncalcined TiO2, conductance decreased continuously whereas when extracts are added, a flat region of conductance is observed. The overall effect of extracts (colour pigments) is seen as an increase in the photoconductance. Highest photoconductance is observed in case of DY flower extract. Anthocyanins, present in flowers are known to have antioxidative properties and hence can contribute in photoconduction by reducing the surface adsorbed oxygen. This investigation indicates the potential use of flower extracts for dye sensitized solar cell (DSSC).

  2. Development of DNA biosensor based on TiO2 nanoparticles

    Science.gov (United States)

    Nadzirah, Sh.; Hashim, U.; Rusop, M.

    2018-05-01

    A novel technique of DNA hybridization on the TiO2 nanoparticles film was developed by dropping a single droplet of target DNA onto the surface of TiO2 for the study of various concentrations of target DNA. The surface of TiO2 nanoparticle film was functionalized with APTES and covalently immobilized with 1 µM probe DNA on the silanized TiO2 nanoparticles surface. The effect of silanization, immobilization and hybridization were quantitatively measured by the output current signal obtained using a picoammeter. The 1 µM target DNA was found to be the most effective target towards the 1 µM probe DNA as the output current signal was within range; while the output current signal of the 10 µM target DNA was observed to beyond the range of the probe DNA control due to the excessive concentration as compared to the probe DNA. This approach has several advantages such as rapid, simple, low cost, and sensitive current signal during detection of different target DNA concentrations.

  3. A large interconnecting network within hybrid MEH-PPV/TiO2 nanorod photovoltaic devices

    International Nuclear Information System (INIS)

    Zeng, T-W; Lin, Y-Y; Lo, H-H; Chen, C-W; Chen, C-H; Liou, S-C; Huang, H-Y; Su, W-F

    2006-01-01

    This is a study of hybrid photovoltaic devices based on TiO 2 nanorods and poly[2-methoxy-5-(2'-ethyl-hexyloxy)-1,4-phenylene vinylene] (MEH-PPV). We use TiO 2 nanorods as the electron acceptors and conduction pathways. Here we describe how to develop a large interconnecting network within the photovoltaic device fabricated by inserting a layer of TiO 2 nanorods between the MEH-PPV:TiO 2 nanorod hybrid active layer and the aluminium electrode. The formation of a large interconnecting network provides better connectivity to the electrode, leading to a 2.5-fold improvement in external quantum efficiency as compared to the reference device without the TiO 2 nanorod layer. A power conversion efficiency of 2.2% under illumination at 565 nm and a maximum external quantum efficiency of 24% at 430 nm are achieved. A power conversion efficiency of 0.49% is obtained under Air Mass 1.5 illumination

  4. Development of Galactose Biosensor Based on Functionalized ZnO Nanorods with Galactose Oxidase

    Directory of Open Access Journals (Sweden)

    K. Khun

    2012-01-01

    Full Text Available The fabrication of galactose biosensor based on functionalised ZnO nanorods is described. The galactose biosensor was developed by immobilizing galactose oxidase on ZnO nanorods in conjunction with glutaraldehyde as a cross-linker molecule. The IRAS study provided evidence for the interaction of galactose oxidase with the surface of ZnO nanorods. The electromotive force (EMF response of the galactose biosensor was measured by potentiometric method. We observed that the proposed biosensor has a linear detection range over a concentration range from 10 mM to 200 mM with good sensitivity of 89.10±1.23 mV/decade. In addition, the proposed biosensor has shown fast time response of less than 10 s and a good selectivity towards galactose in the presence of common interferents such as ascorbic acid, uric acid, glucose, and magnesium ions. The galactose biosensor based on galactose oxidase immobilized ZnO nanorods has a shelf life more than four weeks.

  5. Microstructure and corrosion performance of steam-based conversion coatings produced in the presence of TiO2 particles on aluminium alloys

    DEFF Research Database (Denmark)

    Din, Rameez Ud; Gudla, Visweswara Chakravarthy; Jellesen, Morten Stendahl

    2016-01-01

    The steam-based conversion coatings containing TiO2 particleswere prepared using a two-step process comprising of spin coating of particles onto an aluminiumsubstrate followed by a high-pressure steam treatment. Process has resulted in the formation of aluminium oxide layer (~1.3 μm thick) embedded...... to the coatings without TiO2 particles, while the shift in thepitting potential was a function of the steam treatment time and degree of particle incorporation into the oxide....... with TiO2 particles. The electrochemical measurements showthe beneficial effect of TiO2 particles in the oxide layer by exhibiting lowestanodic and cathodic activities, and reduced pit depth. The presence of TiO2 particles shifts the corrosion potentialvalues to positive side (noble side) when compared...

  6. Probing the Electronic Structure and Band Gap Evolution of Titanium Oxide Clusters (TiO2)n- (n=1-10) Using Photoelectron Spectroscopy

    International Nuclear Information System (INIS)

    Zhai, Hua-jin; Wang, Lai S.

    2007-01-01

    TiO2 is a wide-band gap semiconductor and it is an important material for photocatalysis. Here we report an experimental investigation of the electronic structure of (TiO2)n clusters and how their band gap evolves as a function of size using anion photoelectron spectroscopy (PES). PES spectra of (TiO2)n- clusters for n = 1-10 have been obtained at 193 (6.424 eV) and 157 nm (7.866 eV). The high photon energy at 157 nm allows the band gap of the TiO2 clusters to be clearly revealed up to n = 10. The band gap is observed to be strongly size-dependent for n 1 appears to be localized in a tricoordinated Ti atom, creating a single Ti3+ site and making these clusters ideal molecular models for mechanistic understanding of TiO2 surface defects and photocatalytic properties

  7. The Adsorption Geometry and Electronic Structure of Organic Dye Molecule on TiO2(101 Surface from First Principles Calculations

    Directory of Open Access Journals (Sweden)

    Niu Mang

    2017-01-01

    Full Text Available Using density functional theory (DFT, we have investigated the structural and electronic properties of dye-sensitized solar cells (DSSCs comprised of I-doped anatase TiO2(101 surface sensitized with NKX-2554 dye. The calculation results indicate that the cyanoacrylic acid anchoring group in NKX-2554 has a strong binding to the TiO2(101 surface. The dissociative and bidentate bridging type was found to be the most favorable adsorption configuration. On the other hand, the incorporations of I dopant can reduce the band gap of TiO2 photoanode and improve the of NKX-2554 dye, which can improve the visible-light absorption of anatase TiO2 and can also facilitate the electron injection from the dye molecule to the TiO2 substrate. As a result, the I doping can significantly enhance the incident photon-to-current conversion efficiency (IPCE of DSSCs.

  8. Fabrication and Characteristics of Macroporous TiO2 Photocatalyst

    Directory of Open Access Journals (Sweden)

    Guiyun Yi

    2014-01-01

    Full Text Available Macroporous TiO2 photocatalyst was synthesized by a facile nanocasting method using polystyrene (PS spherical particles as the hard template. The synthesized photocatalyst was characterized by transmission electron microscope (TEM, scanning electron microscopy (SEM, thermogravimetry-differential thermogravimetry (TG-DTG, X-ray diffraction (XRD, and N2-sorption. TEM, SEM, and XRD characterizations confirmed that the macroporous TiO2 photocatalyst is composed of anatase phase. The high specific surface area of 87.85 m2/g can be achieved according to the N2-sorption analysis. Rhodamine B (RhB was chosen as probe molecule to evaluate the photocatalytic activity of the TiO2 catalysts. Compared with the TiO2 materials synthesized in the absence of PS spherical template, the macroporous TiO2 photocatalyst sintered at 500°C exhibits much higher activity on the degradation of RhB under the UV irradiation, which can be assigned to the well-structured macroporosity. The macroporous TiO2 material presents great potential in the fields of environmental remediation and energy conversion and storage.

  9. High pressure synthesis of amorphous TiO2 nanotubes

    Directory of Open Access Journals (Sweden)

    Quanjun Li

    2015-09-01

    Full Text Available Amorphous TiO2 nanotubes with diameters of 8-10 nm and length of several nanometers were synthesized by high pressure treatment of anatase TiO2 nanotubes. The structural phase transitions of anatase TiO2 nanotubes were investigated by using in-situ high-pressure synchrotron X-ray diffraction (XRD method. The starting anatase structure is stable up to ∼20GPa, and transforms into a high-density amorphous (HDA form at higher pressure. Pressure-modified high- to low-density transition was observed in the amorphous form upon decompression. The pressure-induced amorphization and polyamorphism are in good agreement with the previous results in ultrafine TiO2 nanoparticles and nanoribbons. The relationship between the LDA form and α-PbO2 phase was revealed by high-resolution transmission electron microscopy (HRTEM study. In addition, the bulk modulus (B0 = 158 GPa of the anatase TiO2 nanotubes is smaller than those of the corresponding bulks and nanoparticles (180-240 GPa. We suggest that the unique open-ended nanotube morphology and nanosize play important roles in the high pressure phase transition of TiO2 nanotubes.

  10. Conductometric sensor for ammonia and ethanol using gold nanoparticle-doped mesoporous TiO2

    International Nuclear Information System (INIS)

    Xiong, Wei; Liu, Huanhuan; Liu, Shantang

    2015-01-01

    We describe uniform and high-temperature-stable mesoporous TiO 2 beads functionalized with gold nanoparticles (AuNPs-TiO 2 ) for use in conductometric sensing of gases and organic vapors. The size of the interconnected main mesopores of the TiO 2 beads ranges from 8 to 15 nm, and the AuNPs have diameters between 8 and 10 nm. The mesoporous TiO 2 beads are formed during calcination while the structure-directing template agent is removed. Monodispersed AuNPs are formed by reduction in-situ and are placed inside the mesoporous TiO 2 framework. This prevents aggregation of the AuNPs even at 500 °C. The materials were characterized by UV–vis spectroscopy, scanning and transmission electron microscopy, nitrogen adsorption-desorption, and X-ray diffraction. Comb-type gold electrodes were then fabricated on an alumina substrate and are shown to display excellent properties in terms of sensing ammonia, ethanol, methanol or acetone. The sensitivity (defined as the ratio of resistivities under vapor and air) of a typical AuNPs(0.5 %)-TiO 2 gas sensor for ethanol reached up to 5.65 at above 600 ppm at 75 °C. Response time and recovery times (t 90  ≤ 20 s) are faster than (or comparable to) other metal-doped TiO 2 sensors, and working temperatures are much lower. An interesting observation was made in that the changes in the conductivity of the sensor change with temperature. The sensor prepared with AuNPs(0.5 %)-TiO 2 is of the p-type (in its response to ammonia gas) at 45 °C, but becomes n-type at 20 °C. Obviously, rather slight changes in temperature lead to a complete change in the direction of the conductometric signal change. This may provide a new aspect in terms of selective and highly sensitive detection of ammonia at ambient and slightly elevated temperatures. (author)

  11. TiO2-ITO and TiO2-ZnO nanocomposites: application on water treatment

    Directory of Open Access Journals (Sweden)

    Bessais B.

    2012-06-01

    Full Text Available One of the most promising ideas to enhance the photocatalytic efficiency of the TiO2 is to couple this photocatalyst with other semiconductors. In this work, we report on the development of photo-catalytic properties of two types of composites based on TiO2 – ITO (Indium Tin Oxide and TiO2 – ZnO deposited on conventional ceramic substrates. The samples were characterized by X-ray diffraction (XRD and transmission Electron Microscopy (TEM. The photo-catalytic test was carried out under UV light in order to reduce/oxidize a typical textile dye (Cibacron Yellow. The experiment was carried out in a bench scale reactor using a solution having a known initial dye concentration. After optimization, we found that both nanocomposites exhibit better photocatalytic activity compared to the standard photocatalyst P25 TiO2.

  12. TiO2 and Cu/TiO2 Thin Films Prepared by SPT

    Directory of Open Access Journals (Sweden)

    S. S. Roy

    2015-12-01

    Full Text Available Titanium oxide (TiO2 and copper (Cu doped titanium oxide (Cu/TiO2 thin films have been prepared by spray pyrolysis technique. Titanium chloride (TiCl4 and copper acetate (Cu(CH3COO2.H2O were used as source of Ti and Cu. The doping concentration of Cu was varied from 1-10 wt. %. The X-ray diffraction studies show that TiO2 thin films are tetragonal structure and Cu/TiO2 thin films implies CuO has present with monoclinic structure. The optical properties of the TiO2 thin films have been investigated as a function of Cu-doping level. The optical transmission of the thin films was found to increase from 88 % to 94 % with the addition of Cu up to 8 % and then decreases for higher percentage of Cu doping. The optical band gap (Eg for pure TiO2 thin film is found to be 3.40 eV. Due to Cu doping, the band gap is shifted to lower energies and then increases further with increasing the concentration of Cu. The refractive index of the TiO2 thin films is found to be 2.58 and the variation of refractive index is observed due to Cu doped. The room temperature resistivity of the films decreases with increasing Cu doping and is found to be 27.50 - 23.76 W·cm. It is evident from the present study that the Cu doping promoted the thin film morphology and thereby it is aspect for various applications.

  13. Dielectric response and room temperature ferromagnetism in Cr doped anatase TiO2 nanoparticles

    Science.gov (United States)

    Naseem, Swaleha; Khan, Wasi; Khan, Shakeel; Husain, Shahid; Ahmad, Abid

    2018-02-01

    In the present work, nanocrystalline samples of Ti1-xCrxO2 (x = 0, 0.02, 0.04, 0.06 and 0.08) were synthesized in anatase phase through simple and cost effective acid modified sol gel method. The influence of Cr doping on thermal, microstructural, electrical and magnetic properties was investigated in TiO2 host matrix. The surface morphology has revealed less agglomeration and considerable reduction in particle size in case of Cr doped TiO2 as compared to undoped TiO2 nanoparticles (NPs). Energy dispersive x-ray spectroscopy (EDS), Raman and X-ray photoelectron spectroscopy (XPS) established high purity, appropriate stoichiometry and oxidation states of the compositions. The dielectric properties of the nanoparticles were altered by the doping concentration, applied frequency as well as temperature variation. The variation in dielectric constant (ε‧), dielectric loss (δ) and ac conductivity as a function of frequency and temperature at different doping concentration of Cr were interpreted in the light of Maxwell Wagner theory, space charge polarization mechanism and drift mobility of charge carriers. Both undoped and Cr doped TiO2 samples exhibit room temperature ferromagnetism (RTFM) that remarkably influenced by means of the Cr content. The significant enhancement in the magnetization was observed at 4% Cr doping. However, decrease in magnetization for higher doping signify antiferromagnetic interactions between Cr ions or superexchange mechanism. These results reveal that the oxygen vacancies play a crucial role to initiate the RTFM. Therefore, the present investigation suggests the potential applications of Cr doped TiO2 nanoparticles for spintronics application.

  14. Bio-functionalizing of α-MnO{sub 2} nanorods with natural L-amino acids: A favorable adsorbent for the removal of Cd(II) ions

    Energy Technology Data Exchange (ETDEWEB)

    Mallakpour, Shadpour, E-mail: mallak@cc.iut.ac.ir [Organic Polymer Chemistry Research Laboratory, Department of Chemistry, Isfahan University of Technology, Isfahan, 84156-83111, Islamic Republic of Iran (Iran, Islamic Republic of); Nanotechnology and Advanced Materials Institute, Isfahan University of Technology, Isfahan, 84156-83111, Islamic Republic of Iran (Iran, Islamic Republic of); Motirasoul, Forough [Organic Polymer Chemistry Research Laboratory, Department of Chemistry, Isfahan University of Technology, Isfahan, 84156-83111, Islamic Republic of Iran (Iran, Islamic Republic of)

    2017-04-15

    α-MnO{sub 2} nanorods were prepared by hydrothermal method and then the surface of these nanorods were covalently biofunctionalized with natural L-amino acids (alanine, phenylalanine, leucine, isoleucine, methionine, and valine). The modified α-MnO{sub 2} nanorods were analyzed by Fourier transform infrared spectroscopy and X-ray diffraction. Morphological studies were carried out by field emission scanning electron microscopy and transmission electron microscopy. The morphology of nanorods was improved after biofunctionalization and aggregation was reduced. In addition, the thermal gravimetric analysis was used for demonstrating a successful grafting of amino acids to the surface of α-MnO{sub 2} nanorods and determine the degree of functionalization. The amount of amino acids grafted onto α-MnO{sub 2} surface was estimated to be 5–32 wt%. Finally, the α-MnO{sub 2} and α-MnO{sub 2}-L-valine were investigated as adsorbents for the removal of cadmium ions from aqueous solution. The results showed that they have a potential to be used as effective adsorbents for cadmium ions removal from the aqueous solution. The equilibrium adsorption data showed the best fit for the pseudo-second-order and the Freundlich models. - Highlights: • α-MnO{sub 2} nanorods were biofunctionalized with natural L-amino acids. • Biofunctionalized α-MnO{sub 2} nanorods by solvothermal strategy were fully characterized. • Cadmium adsorption property of α-MnO{sub 2} and α-MnO{sub 2}-L-valine was studied.

  15. Ff-nano, Short Functionalized Nanorods Derived from Ff (f1, fd or M13 Filamentous Bacteriophage

    Directory of Open Access Journals (Sweden)

    Sadia eSattar

    2015-04-01

    Full Text Available F-specific filamentous phage of Escherichia coli (Ff: f1, M13 or fd are long thin filaments (860 nm x 6 nm. They have been a major workhorse in display technologies and bionanotechnology; however, some applications are limited by the high length-to-diameter ratio of Ff. Furthermore, use of functionalized Ff outside of laboratory containment is in part hampered by the fact that they are genetically modified viruses. We have now developed a system for production and purification of very short functionalized Ff-phage-derived nanorods, named Ff-nano, that are only 50 nm in length. In contrast to standard Ff-derived vectors that replicate in E. coli and contain antibiotic-resistance genes, Ff-nano are protein DNA complexes that cannot replicate on their own and do not contain any coding sequences. These nanorods show an increased resistance to heating at 70 °C in 1 % SDS in comparison to the full-length Ff phage of the same coat composition. We demonstrate that functionalized Ff-nano particles are suitable for application as detection particles in sensitive and quantitative dipstick lateral flow diagnostic assay for human plasma fibronectin.

  16. Uptake of TiO2 Nanoparticles into C. elegans Neurons Negatively Affects Axonal Growth and Worm Locomotion Behavior.

    Science.gov (United States)

    Hu, Chun-Chih; Wu, Gong-Her; Hua, Tzu-En; Wagner, Oliver I; Yen, Ta-Jen

    2018-03-14

    We employ model organism Caenorhabditis elegans to effectively study the toxicology of anatase and rutile phase titanium dioxide (TiO 2 ) nanoparticles (NPs). The experimental results show that nematode C. elegans can take up fluorescein isothiocyanate-labeled TiO 2 NPs and that both anatase and rutile TiO 2 NPs can be detected in the cytoplasm of cultured primary neurons imaged by transmission electron microscopy. After TiO 2 NP exposure, these neurons also grow shorter axons, which may be related to the detected impeded worm locomotion behavior. Furthermore, anatase TiO 2 NPs did not affect the worm's body length; however, we determined that a concentration of 500 μg/mL of anatase TiO 2 NPs reduced the worm population by 50% within 72 h. Notably, rutile TiO 2 NPs negatively affect both the body size and worm population. Worms unable to enter the L4 larval stage explain a severe reduction in the worm population at TiO 2 NPs LC 50 /3d. To obtain a better understanding of the cellular mechanisms involved in TiO 2 NP intoxication, DNA microarray assays were employed to determine changes in gene expression in the presence or absence of TiO 2 NP exposure. Our data reveal that three genes (with significant changes in expression levels) were related to metal binding or metal detoxification (mtl-2, C45B2.2, and nhr-247), six genes were involved in fertility and reproduction (mtl-2, F26F2.3, ZK970.7, clec-70, K08C9.7, and C38C3.7), four genes were involved in worm growth and body morphogenesis (mtl-2, F26F2.3, C38C3.7, and nhr-247), and five genes were involved in neuronal function (C41G6.13, C45B2.2, srr-6, K08C9.7, and C38C3.7).

  17. XAS study of TiO2-based nanomaterials

    Science.gov (United States)

    Schneider, K.; Zajac, D.; Sikora, M.; Kapusta, Cz.; Michalow-Mauke, K.; Graule, Th.; Rekas, M.

    2015-07-01

    X-Ray Absorption Spectroscopy studies of the W (0-1 at% W) and Mo-doped TiO2 (0-1 at% Mo) nanoparticle specimens at the K edges of titanium and molybdenum as well as at the L2 L3 edges of tungsten are presented. The materials were prepared with Flame Spray Synthesis process by oxidation of metal-organic precursors. The Ti:K edge spectra in the XANES range show pre-edge and post-edge features characteristic for anatase. A decrease of the amplitude of the EXAFS function with doping is observed and attributed to a softening of the crystal lattice. The Mo EXAFS functions show a considerable decrease of the second-neighbour-shell peak with increasing Mo content, which is attributed to an increased number of cation vacancies. For tungsten a less pronounced effect is observed. The Mo and W XANES spectra do not show noticeable changes with doping level, which indicates their unchanged oxidation states.

  18. Bioeffects of Gold Nanorods as a Function of Aspect Ratio and Surface Chemistry

    Science.gov (United States)

    2012-11-01

    M., Hamad-Schifferli, K . 2009, Release Mechanism of Octadecyl Rhodamine B Chloride from Au Nanorods by Ultrafast Laser Pulses. J. Phys. Chem. C 113...Endosomal Escape During Gene Transfection. Biomaterials 30: 402-208. 94. Subbarao , N.K., Parente, R.A., Szoka, F.C., Nadasdi, L., Pongracz, K ...RESPONSIBLE PERSON S. Hussain a. REPORT U b . ABSTRACT U c. THIS PAGE U SAR 75 19b. TELEPHONE NUMBER (include area code

  19. ??????????? ??????????????? ????? ??????-???????? ????????????? ?????????? ??????? ?aO?Al2O3?TiO2 ??? ???????? ?????? ?????

    OpenAIRE

    ???????, ????; ??????, ?????????

    2011-01-01

    ? ????? ?????? ?????????? ???????? ?????????????? ??????????? ????????????? ??? ??????-????????? ???????????????? ?????????? ??????? ?aO?Al2O3?TiO2, ?? ???????? ??????? ? ???????????? ??????? ??? ???????? ? ?????? ????????? ?????? ?????. ???????? ?????????? ???????? ??? ??????????? ?????????? ??????? ????????? ???????????? ?????????? ??? ??????????? 12000?, ?? ????????? ?????????????? ????????????? ???????, ????????? ???? ? ?????????? ????? ???????? ??????? ???????????. ????????, ?? ?? ...

  20. Facile Preparation of TiO2 Nanobranch/Nanoparticle Hybrid Architecture with Enhanced Light Harvesting Properties for Dye-Sensitized Solar Cells

    Directory of Open Access Journals (Sweden)

    Ju Seong Kim

    2015-01-01

    Full Text Available We report TiO2 nanobranches/nanoparticles (NBN hybrid architectures that can be synthesized by a facile solution phase method. The hybrid architecture simultaneously improves light harvesting and charge collection performances for a dye-sensitized solar cell. First, TiO2 nanorods with a trunk length of 2 μm were grown on a fluorine-doped tin oxide (FTO/glass substrate, and then nanobranches and nanoparticles were deposited on the nanorods’ trunks through a solution method using an aqueous TiCl3 solution at 80°C. The relative amount of nanobranches and nanoparticles can be controlled by multiplying the number of TiCl3 treatments to maximize the amount of surface area. We found that the resultant TiO2 NBN hybrid architecture greatly improves the amount of dye adsorption (five times compared to bare nanorods due to the enhanced surface area, while maintaining a fast charge collection, leading to a three times higher current density and thus tripling the maximum power conversion efficiency for a dye-sensitized solar cell.

  1. Influence of Different Defects in Vertically Aligned Carbon Nanotubes on TiO2 Nanoparticle Formation through Atomic Layer Deposition.

    Science.gov (United States)

    Acauan, Luiz; Dias, Anna C; Pereira, Marcelo B; Horowitz, Flavio; Bergmann, Carlos P

    2016-06-29

    The chemical inertness of carbon nanotubes (CNT) requires some degree of "defect engineering" for controlled deposition of metal oxides through atomic layer deposition (ALD). The type, quantity, and distribution of such defects rules the deposition rate and defines the growth behavior. In this work, we employed ALD to grow titanium oxide (TiO2) on vertically aligned carbon nanotubes (VACNT). The effects of nitrogen doping and oxygen plasma pretreatment of the CNT on the morphology and total amount of TiO2 were systematically studied using transmission electron microscopy, Raman spectroscopy, and thermogravimetric analysis. The induced chemical changes for each functionalization route were identified by X-ray photoelectron and Raman spectroscopies. The TiO2 mass fraction deposited with the same number of cycles for the pristine CNT, nitrogen-doped CNT, and plasma-treated CNT were 8, 47, and 80%, respectively. We demonstrate that TiO2 nucleation is dependent mainly on surface incorporation of heteroatoms and their distribution rather than structural defects that govern the growth behavior. Therefore, selecting the best way to functionalize CNT will allow us to tailor TiO2 distribution and hence fabricate complex heterostructures.

  2. A first-principles study of the dielectric properties of TiO2 polymorphs

    International Nuclear Information System (INIS)

    Thilagam, A; Simpson, D J; Gerson, A R

    2011-01-01

    We present an analysis of the dielectric properties of the three polymorphs of TiO 2 (rutile, anatase and brookite phases), using ab initio time-dependent density functional perturbation theory based on the Vignale-Kohn functional. We implement this functional, which incorporates many-body effects, using the periodic program BAND. The improved result for the density of states spectra for brookite is suggestive of increased titanium ion Jahn-Teller effects for this phase. The imaginary and real components of the frequency-dependent dielectric functions show notable dielectric anisotropies, with implications for excitonic interactions, for all three common phases of TiO 2 . Comparison of the electron energy-loss spectrum for undoped and doped rutile and anatase reveals the critical role of collective charge excitations in photocatalytic mechanisms. The correlation between plasmon peaks present at lower energies and decreased photocatalytic activity due to substitutional aluminum doping in combination with oxygen vacancies in rutile and anatase is highlighted. Moreover, there is clear correlation between dielectric properties and the microstructure of the TiO 2 polymorphs as suggested via the framework of the Born effective charge and Hirshfeld charge distribution schemes.

  3. Preparation of weak-light-driven TiO2-based catalysts via adsorbed-layer nanoreactor synthesis and enhancement of their photo-degradation performance in seawater

    Science.gov (United States)

    Wang, Ting; Xu, Zhi-yong; Zhu, Yi-chen; Wu, Li-guang; Yuan, Hao-xuan; Li, Chang-chun; Liu, Ya-yu; Cai, Jing

    2017-11-01

    Graphene oxide (GO) was first employed as a support in preparing TiO2 nanoparticles by adsorbed-layer nanoreactor synthesis (ALNS). Both TiO2 crystallization and GO reduction simultaneously occurred during solvothermal treatment with alcohol as a solvent. By transmission electron microscopy, high resolution transmission electron microscopy, X-ray diffraction, X-ray photoelectron spectroscopy, Fourier transform infrared spectroscopy, and photoluminescence spectroscopy, the results showed that TiO2 nanoparticles with less than 10 nm of size distributed very homogeneously on the GO surface. Tight interaction between TiO2 particles and GO surface could effectively inhibit the aggregation of TiO2 particles, during solvothermal treatment for anatase TiO2 formation. Alcohol could also reduce oxygenated functional groups on GO surface after solvothermal treatment. TiO2 particles with small size and the decrease in oxygenated functional groups on the GO surface both caused high separation efficiency of photo-generated charge carriers, thus resulting in high photo-degradation performance of catalysts. Strong phenol adsorption on photocatalyst was key to enhancing photo-degradation efficiency for phenol in seawater. Moreover, the change in catalyst structure was minimal at different temperatures of solvothermal treatment. But, the degradation rate and efficiency for phenol in seawater were obviously enhanced because of the sensitive structure-activity relationship of catalysts under weak-light irradiation.

  4. Time-resolved infrared absorption study of nine TiO2 photocatalysts

    International Nuclear Information System (INIS)

    Yamakata, Akira; Ishibashi, Taka-aki; Onishi, Hiroshi

    2007-01-01

    Electron kinetics of nine TiO 2 catalysts were compared in a microsecond time domain. Each catalyst was band-gap excited with an UV light pulse, and electron-induced absorption of mid infrared light was observed as a function of time delay. The probability of electron-hole recombination in the bulk, electron attachment to adsorbed oxygen, and hole attachment to adsorbed methoxy species was estimated

  5. TiO2 nanoparticles cause mitochondrial dysfunction, activate inflammatory responses, and attenuate phagocytosis in macrophages: A proteomic and metabolomic insight

    Directory of Open Access Journals (Sweden)

    Qun Chen

    2018-05-01

    Full Text Available Titanium dioxide nanoparticles (TiO2 NPs are widely used in food and cosmetics but the health impact of human exposure remains poorly defined. Emerging evidence suggests that TiO2 NPs may elicit immune responses by acting on macrophages. Our proteomic study showed that treatment of macrophages with TiO2 NPs led to significant re-organization of cell membrane and activation of inflammation. These observations were further corroborated with transmission electron microscopy (TEM experiments, which demonstrated that TiO2 NPs were trapped inside of multi-vesicular bodies (MVB through endocytotic pathways. TiO2 NP caused significant mitochondrial dysfunction by increasing levels of mitochondrial reactive oxygen species (ROS, decreasing ATP generation, and decreasing metabolic flux in tricarboxylic acid (TCA cycle from 13C-labelled glutamine using GC-MS-based metabolic flux analysis. Further lipidomic analysis showed that TiO2 NPs significantly decreased levels of cardiolipins, an important class of mitochondrial phospholipids for maintaining proper function of electron transport chains. Furthermore, TiO2 NP exposure activates inflammatory responses by increasing mRNA levels of TNF-α, iNOS, and COX-2. Consistently, our targeted metabolomic analysis showed significantly increased production of COX-2 metabolites including PGD2, PGE2, and 15d-PGJ2. In addition, TiO2 NP also caused significant attenuation of phagocytotic function of macrophages. In summary, our studies utilizing multiple powerful omic techniques suggest that human exposure of TiO2 NPs may have profound impact on macrophage function through activating inflammatory responses and causing mitochondrial dysfunction without physical presence in mitochondria.

  6. Improve photovoltaic performance of titanium dioxide nanorods based dye-sensitized solar cells by Ca-doping

    International Nuclear Information System (INIS)

    Li, Weixin; Yang, Junyou; Zhang, Jiaqi; Gao, Sheng; Luo, Yubo; Liu, Ming

    2014-01-01

    Highlights: • TiO 2 nanorods doped with Ca ions were synthesized by one-step hydrothermal method. • The flat band edge of rutile TiO 2 shifted positively via Ca-doping. • The photoelectric conversion efficiency of dye-sensitized solar cells (DSSCs) based on TiO 2 electrode was much enhanced by Ca-doping. • A relatively high open circuit voltage was obtained by adopting Ca-doped TiO 2 nanorods electrode. - Abstract: Ca-doped TiO 2 nanorod arrays were prepared via the one-step hydrothermal method successfully, and the effect of Ca ions content on the photovoltaic conversion efficiency of dye-sensitized solar cells has been fully discussed in the paper. Although no obvious change on the microstructure and morphology was observed by field emission scanning electron microscope and transmission electron microscope for the Ca-doped samples, the results of X-ray diffraction and X-ray photoelectron spectroscopy confirmed that Ti 4+ was substituted with Ca 2+ successfully. UV–vis spectroscopy results revealed that the flat band edge shifted positively by Ca ions doping. The photovoltaic conversion efficiency of the dye-sensitized solar cells based on the 2 mol% Ca-doped TiO 2 electrode was 43% higher than that of the undoped one due to the less recombination possibility

  7. Investigation of the adsorption of ozone molecules on TiO2/WSe2 nanocomposites by DFT computations: Applications to gas sensor devices

    Science.gov (United States)

    Abbasi, Amirali; Sardroodi, Jaber Jahanbin

    2018-04-01

    The adsorption of O3 molecule on the undoped and N-doped TiO2/WSe2 nanocomposites was studied using first principles density functional theory calculations. O3 interaction with TiO2/WSe2 nanocomposites is considered so as to investigate WSe2 effects on the adsorption process. WSe2 favors the adsorption of O3 on TiO2 particles. In other words, WSe2 is conducive to the interaction of O3 molecule with fivefold coordinated titanium sites of TiO2. The effects of vdW interactions were taken into account in order to obtain equilibrium geometries of O3 molecules at TiO2/WSe2 interfaces. For all adsorption configurations, the binding site was positioned on the fivefold coordinated titanium atoms. The results show that the interactions between O3 and TiO2 in TiO2/WSe2 nanocomposites are stronger than those between O3 and bare TiO2, suggesting that WSe2 helps to strengthen the interaction of ozone molecule with TiO2 particles. The results also indicate that the adsorption of the O3 molecule on the N-doped TiO2/WSe2 nanocomposite is more energetically favorable than the adsorption of O3 on the pristine one, representing that the N-doped nanocomposites are more sensitive than the undoped ones. Our DFT results clearly show that the N-doped TiO2/WSe2 nanocomposite would be a promising O3 gas sensor. The electronic structure of the adsorption system was also investigated, including analysis of the total and projected density of states, and charge density differences of the TiO2/WSe2 with adsorbed O3 molecules. The charge density difference calculations indicate that the charges were accumulated over the adsorbed O3 molecule. Besides, the N-doped nanocomposites have better sensing response than the pristine ones. This work was devoted to provide the theory basis for the design and development of novel and advanced O3 sensors based on modified TiO2/WSe2 nanocomposites.

  8. A DFT-D study of structural and energetic properties of TiO2 modifications

    International Nuclear Information System (INIS)

    Moellmann, Jonas; Ehrlich, Stephan; Tonner, Ralf; Grimme, Stefan

    2012-01-01

    The structures and relative energies of the three naturally occurring modifications of titanium dioxide (rutile, brookite and anatase) were investigated. For an accurate description, atom-pairwise dispersion-corrected density functional theory (DFT-D) was applied. The DFT-D3 scheme was extended non-empirically to improve the description of Ti atoms in bulk systems. New dispersion coefficients were derived from TDDFT calculations for electrostatically embedded TiO 2 clusters. The dispersion coefficient C 6 TiTi is reduced by a factor of 18 compared to the free atom. The three TiO 2 modifications were optimized in periodic plane-wave calculations with dispersion-corrected GGA (PBE, revPBE) and hybrid density functionals (PBE0, revPBE0). The calculated lattice parameters are in good agreement with experimental data, in particular the dispersion-corrected PBE0 and revPBE0 hybrid functionals. Although the observed relative stabilities could not be reproduced in all cases, dispersion corrections improve the results. For an accurate description of bulk metal oxides, London dispersion is a prominent force that should not be neglected when energies and structures are computed with DFT. Additionally, the influence of dispersion interactions on the relaxation of the TiO 2 (110) surface is investigated.

  9. Synthesis of titanate, TiO2 (B), and anatase TiO2 nanofibers from natural rutile sand

    International Nuclear Information System (INIS)

    Pavasupree, Sorapong; Suzuki, Yoshikazu; Yoshikawa, Susumu; Kawahata, Ryoji

    2005-01-01

    Titanate nanofibers were synthesized by hydrothermal method (150 deg. C for 72 h) using natural rutile sand as the starting materials. TiO 2 (B) and anatase TiO 2 (high crystallinity) nanofibers with the diameters of 20-100 nm and the lengths of 10-100 μm were obtained by calcined titanate nanofibers for 4 h at 400 and 700 deg. C (in air), respectively. The samples characterized by XRD, SEM, TEM, SAED, HRTEM, and BET surface area. This synthesis method provides a simple route to fabricate one-dimensional nanostructured TiO 2 from low cost material. -- Graphical abstract: Titanate nanofibers (b) were synthesized by hydrothermal method (150 deg. C for 72 h) using natural rutile sand (a) as the starting materials. TiO 2 (B) (c) and anatase TiO 2 (d) nanofibers with the diameters of 20-50 nm and the lengths of 10-100 μm were obtained by calcined titanate nanofibers for 4 h at 400 deg. C and 700 deg. C (in air), respectively

  10. Effect of TiO2 on the Gas Sensing Features of TiO2/PANi Nanocomposites

    Directory of Open Access Journals (Sweden)

    Duong Ngoc Huyen

    2011-02-01

    Full Text Available A nanocomposite of titanium dioxide (TiO2 and polyaniline (PANi was synthesized by in-situ chemical polymerization using aniline (ANi monomer and TiCl4 as precursors. SEM pictures show that the nanocomposite was created in the form of long PANi chains decorated with TiO2 nanoparticles. FTIR, Raman and UV-Vis spectra reveal that the PANi component undergoes an electronic structure modification as a result of the TiO2 and PANi interaction. The electrical resistor of the nanocomposite is highly sensitive to oxygen and NH3 gas, accounting for the physical adsorption of these gases. A nanocomposite with around 55% TiO2 shows an oxygen sensitivity of 600–700%, 20–25 times higher than that of neat PANi. The n-p contacts between TiO2 nanoparticles and PANi matrix give rise to variety of shallow donors and acceptor levels in the PANi band gap which enhance the physical adsorption of gas molecules.

  11. Photocatalytical Properties and Theoretical Analysis of N, Cd-Codoped TiO2 Synthesized by Thermal Decomposition Method

    Directory of Open Access Journals (Sweden)

    Hongtao Gao

    2012-01-01

    Full Text Available N, Cd-codoped TiO2 have been synthesized by thermal decomposition method. The products were characterized by X-ray diffraction (XRD, scanning electron microscope (SEM, UV-visible diffuse reflectance spectra (DRS, X-ray photoelectron spectroscopy (XPS, and Brunauer-Emmett-Teller (BET specific surface area analysis, respectively. The products represented good performance in photocatalytic degradation of methyl orange. The effect of the incorporation of N and Cd on electronic structure and optical properties of TiO2 was studied by first-principle calculations on the basis of density functional theory (DFT. The impurity states, introduced by N 2p or Cd 5d, lied between the valence band and the conduction band. Due to dopants, the band gap of N, Cd-codoped TiO2 became narrow. The electronic transition from the valence band to conduction band became easy, which could account for the observed photocatalytic performance of N, Cd-codoped TiO2. The theoretical analysis might provide a probable reference for the experimentally element-doped TiO2 synthesis.

  12. Integrated titanium dioxide (TiO_2) nanoparticles on interdigitated device electrodes (IDEs) for pH analysis

    International Nuclear Information System (INIS)

    Azizah, N.; Gopinath, Subash C. B.; Nadzirah, Sh.; Farehanim, M. A.; Fatin, M. F.; Ruslinda, A. R.; Hashim, U.; Arshad, M. K. Md.; Ayub, R. M.

    2016-01-01

    Titanium dioxide (TiO_2) nanoparticles based Interdigitated Device Electrodes (IDEs) Nanobiosensor device was developed for intracellular biochemical detection. Fabrication and characterization of pH sensors using IDE nanocoated with TiO_2 was studied in this paper. In this paper, a preliminary assessment of this intracellular sensor with electrical measurement under different pH levels. 3-aminopropyltriethoxysilane (APTES) was used to enhance the sensitivity of titanium dioxide layer as well as able to provide surface modification by undergoing protonation and deprotonation process. Different types of pH solution provide different resistivity and conductivity towards the surface. Base solution has the higher current compared to an acid solution. Amine and oxide functionalized TiO_2 based IDE exhibit pH-dependent could be understood in terms of the change in surface charge during protonation and deprotonation. The simple fabrication process, high sensitivity, and fast response of the TiO_2 based IDEs facilitate their applications in a wide range of areas. The small size of semiconductor TiO_2 based IDE for sensitive, label-free, real time detection of a wide range of biological species could be explored in vivo diagnostics and array-based screening.

  13. Linear and nonlinear optical studies of bare and copper doped TiO2 nanoparticles via sol gel technique

    Science.gov (United States)

    Rajamannan, B.; Mugundan, S.; Viruthagiri, G.; Praveen, P.; Shanmugam, N.

    2014-01-01

    In general, the nanoparticles of TiO2 may exist in the phases of anatase, rutile and brookite. In the present work, we used titanium terta iso propoxide and 2-propanol as a common starting material to prepare the precursors of bare and copper doped nanosized TiO2. Then the synthesized products were calcinated at 500 °C and after calcination the pure TiO2 nanoparticles in anatase phase were harvested. The crystallite sizes of bare and copper doped TiO2 nanoparticles were calculated from X-ray diffraction analysis. The existence of functional groups of the samples was identified by Fourier transform infrared spectroscopy. The optical properties of bare and doped samples were carried out using UV-DRS and photoluminescence measurements. The surface morphology and the element constitution of the copper doped TiO2 nanoparticles were studied by scanning electron microscope fitted with energy dispersive X-ray spectrometer arrangement. The nonlinear optical properties of the products were confirmed by Kurtz second harmonic generation (SHG) test and the output power generated by the nanoparticle was compared with that of potassium di hydrogen phosphate (KDP).

  14. Self-organized TiO2 nanotubular arrays for photoelectrochemical hydrogen generation: effect of crystallization and defect structures

    International Nuclear Information System (INIS)

    Mahajan, V K; Misra, M; Raja, K S; Mohapatra, S K

    2008-01-01

    The effect of crystallization and surface chemistry of nanotubular titanium dioxide (TiO 2 ) in connection with the photoelectrochemical process is reported in this investigation. TiO 2 nanotubular arrays were synthesized by a simple anodization process in an acidified fluoride electrolyte at room temperature. The TiO 2 nanotubes were amorphous in as-anodized condition; their transformation to crystalline phases was a function of annealing temperature and gaseous environment. The anatase phase was observed predominantly after annealing in non-oxidizing atmospheres, whereas annealing in an oxygen environment showed a mixture of anatase and rutile phases. X-ray photoelectron spectroscopy was used to determine the chemical environment of the surface, which revealed the presence of phosphate, oxygen vacancies and pentacoordinated Ti in hydrogen annealed samples. Diffuse reflectance photospectrometry of non-oxygen annealed samples showed long absorption tails extending in the visible region. The photoelectrochemical response of the TiO 2 nanotubes annealed in different conditions was investigated. Photoelectrochemical performance under simulated solar light was improved by annealing the nanotubular TiO 2 samples in non-oxidizing environment

  15. Interfacial Cation-Defect Charge Dipoles in Stacked TiO2/Al2O3 Gate Dielectrics.

    Science.gov (United States)

    Zhang, Liangliang; Janotti, Anderson; Meng, Andrew C; Tang, Kechao; Van de Walle, Chris G; McIntyre, Paul C

    2018-02-14

    Layered atomic-layer-deposited and forming-gas-annealed TiO 2 /Al 2 O 3 dielectric stacks, with the Al 2 O 3 layer interposed between the TiO 2 and a p-type germanium substrate, are found to exhibit a significant interface charge dipole that causes a ∼-0.2 V shift of the flat-band voltage and suppresses the leakage current density for gate injection of electrons. These effects can be eliminated by the formation of a trilayer dielectric stack, consistent with the cancellation of one TiO 2 /Al 2 O 3 interface dipole by the addition of another dipole of opposite sign. Density functional theory calculations indicate that the observed interface-dependent properties of TiO 2 /Al 2 O 3 dielectric stacks are consistent in sign and magnitude with the predicted behavior of Al Ti and Ti Al point-defect dipoles produced by local intermixing of the Al 2 O 3 /TiO 2 layers across the interface. Evidence for such intermixing is found in both electrical and physical characterization of the gate stacks.

  16. Superhydrophobic TiO2-polymer nanocomposite surface with UV-induced reversible wettability and self-cleaning properties.

    Science.gov (United States)

    Xu, Qian Feng; Liu, Yang; Lin, Fang-Ju; Mondal, Bikash; Lyons, Alan M

    2013-09-25

    Multifunctional superhydrophobic nanocomposite surfaces based on photocatalytic materials, such as fluorosilane modified TiO2, have generated significant research interest. However, there are two challenges to forming such multifunctional surfaces with stable superhydrophobic properties: the photocatalytic oxidation of the hydrophobic functional groups, which leads to the permanent loss of superhydrophobicity, as well as the photoinduced reversible hydrolysis of the catalytic particle surface. Herein, we report a simple and inexpensive template lamination method to fabricate multifunctional TiO2-high-density polyethylene (HDPE) nanocomposite surfaces exhibiting superhydrophobicity, UV-induced reversible wettability, and self-cleaning properties. The laminated surface possesses a hierarchical roughness spanning the micro- to nanoscale range. This was achieved by using a wire mesh template to emboss the HDPE surface creating an array of polymeric posts while partially embedding untreated TiO2 nanoparticles selectively into the top surface of these features. The surface exhibits excellent superhydrophobic properties immediately after lamination without any chemical surface modification to the TiO2 nanoparticles. Exposure to UV light causes the surface to become hydrophilic. This change in wettability can be reversed by heating the surface to restore superhydrophobicity. The effect of TiO2 nanoparticle surface coverage and chemical composition on the mechanism and magnitude of wettability changes was studied by EDX and XPS. In addition, the ability of the surface to shed impacting water droplets as well as the ability of such droplets to clean away particulate contaminants was demonstrated.

  17. Tailoring of TiO2 films by H2SO4 treatment and UV irradiation to improve anticoagulant ability and endothelial cell compatibility.

    Science.gov (United States)

    Liao, Yuzhen; Li, Linhua; Chen, Jiang; Yang, Ping; Zhao, Ansha; Sun, Hong; Huang, Nan

    2017-07-01

    Surfaces with dual functions that simultaneously exhibit good anticoagulant ability and endothelial cell (EC) compatibility are desirable for blood contact materials. However, these dual functions have rarely been achieved by inorganic materials. In this study, titanium dioxide (TiO 2 ) films were treated by sulphuric acid (H 2 SO 4 ) and ultraviolet (UV) irradiation successively (TiO 2 H 2 SO 4 -UV), resulting in good anticoagulant ability and EC compatibility simultaneously. We found that UV irradiation improved the anticoagulant ability of TiO 2 films significantly while enhancing EC compatibility, though not significantly. The enhanced anticoagulant ability could be related to the oxidation of surface-adsorbed hydrocarbons and increased hydrophilicity. The H 2 SO 4 treatment improved the anticoagulant ability of TiO 2 films slightly, while UV irradiation improved the anticoagulant ability strongly. The enhanced EC compatibility could be related to the increased surface roughness and positive charges on the surface of the TiO 2 films. Furthermore, the time-dependent degradation of the enhanced EC compatibility and anticoagulant ability of TiO 2 H 2 SO 4 -UV was observed. In summary, TiO 2 H 2 SO 4 -UV expressed both excellent anticoagulant ability and good EC compatibility at the same time, which could be desirable for blood contact materials. However, the compatibility of TiO 2 H 2 SO 4 -UV with smooth muscle cells (SMCs) and macrophages was also improved. More effort is still needed to selectively improve EC compatibility on TiO 2 films for better re-endothelialization. Copyright © 2017 Elsevier B.V. All rights reserved.

  18. Tensile properties of latex paint films with TiO2 pigment

    Science.gov (United States)

    Hagan, Eric W. S.; Charalambides, Maria N.; Young, Christina T.; Learner, Thomas J. S.; Hackney, Stephen

    2009-05-01

    The tensile properties of latex paint films containing TiO2 pigment were studied with respect to temperature, strain-rate and moisture content. The purpose of performing these experiments was to assist museums in defining safe conditions for modern paintings held in collections. The glass transition temperature of latex paint binders is in close proximity to ambient temperature, resulting in high strain-rate dependence in typical exposure environments. Time dependence of modulus and failure strain is discussed in the context of time-temperature superposition, which was used to extend the experimental time scale. Nonlinear viscoelastic material models are also presented, which incorporate a Prony series with the Ogden or Neo-Hookean hyperelastic function for different TiO2 concentrations.

  19. Atomic layer deposited TiO2 for implantable brain-chip interfacing devices

    International Nuclear Information System (INIS)

    Cianci, E.; Lattanzio, S.; Seguini, G.; Vassanelli, S.; Fanciulli, M.

    2012-01-01

    In this paper we investigated atomic layer deposition (ALD) TiO 2 thin films deposited on implantable neuro-chips based on electrolyte-oxide-semiconductor (EOS) junctions, implementing both efficient capacitive neuron-silicon coupling and biocompatibility for long-term implantable functionality. The ALD process was performed at 295 °C using titanium tetraisopropoxide and ozone as precursors on needle-shaped silicon substrates. Engineering of the capacitance of the EOS junctions introducing a thin Al 2 O 3 buffer layer between TiO 2 and silicon resulted in a further increase of the specific capacitance. Biocompatibility for long-term implantable neuroprosthetic systems was checked upon in-vitro treatment.

  20. Nanoscale self-recovery of resistive switching in Ar+ irradiated TiO2-x films

    Science.gov (United States)

    Barman, A.; Saini, C. P.; Sarkar, P. K.; Das, D.; Dhar, S.; Singh, M.; Sinha, A. K.; Kanjilal, D.; Gupta, M.; Phase, D. M.; Kanjilal, A.

    2017-11-01

    Nanoscale evidence of self-recovery in resistive switching (RS) behavior was found in TiO2-x film by conductive atomic force microscopy when exposed to Ar+-ions above a threshold fluence of 1  ×  1016 ions cm-2. This revealed an evolution and gradual disappearance of bipolar RS-loops, followed by reappearance with increasing number of voltage sweep. This was discussed in the realm of oxygen vacancy (OV) driven formation, dissolution and reformation of conducting filaments. The presence of OVs in ion-beam irradiated TiO2-x films was evidenced by decreasing trend of work function in scanning-Kelvin probe microscopy, and was further verified by x-ray absorption near edge spectroscopy at Ti and O-K edges.

  1. Stabilization of Gold Nanorods (GNRs) in Aqueous and Organic Environments by Select Surface Functionalization

    Science.gov (United States)

    2016-01-01

    for up to 1 month (the solution was brought to room temperature prior to use). Stock solutions of silver nitrate (AgNO3) were kept at 4 °C and...Qian W, El-Sayed MA. Cancer cell imaging and photothermal therapy in the near-infrared region by using gold nanorods. J Am Chem Soc. 2006;128(6...distribution is unlimited. 16 List of Symbols, Abbreviations, and Acronyms AgNO3 silver nitrate λLSPR wavelength ARL US Army Research Laboratory Au

  2. A theoretical investigation of the interaction of Immucillin-A with N-doped TiO2 anatase nanoparticles: Applications to nanobiosensors and nanocarriers

    Directory of Open Access Journals (Sweden)

    Amirali Abbasi

    2017-02-01

    Full Text Available Objective(s: Adsorption of IMMUCILLIN-A (BCX4430 molecule on the pristine and N-doped TiO2 anatase nanoparticles were studied using the density functional theory (DFT calculations. The adsorption energy analysis indicated that TiO2+IMMUCILLIN-A complexes including OC-substituted TiO2 have higher adsorption energy than the complexes with OT substituted TiO2, thus providing more stable configurations. Methods: The structural properties including bond lengths, adsorption energies and bond angles were analysed. The electronic structure of the adsorption system were investigated in view of the density of states, molecular orbitals and Mulliken charge analysis.Results: The results show that, the interaction of IMMUCILLIN-A drug with N-doped TiO2 nanoparticles is more energetically favorable than the interaction with the pristine ones, suggesting that the N-doped nanoparticles can react with IMMUCILLIN-A drug more efficiently. The Mulliken charge analysis also suggests a charge transfer from IMMUCILLIN-A molecule to the TiO2 nanoparticle.Conclusions: Based on obtained results, it can be concluded that the N-doped TiO2 nanoparticle could be utilized as an efficient candidate for application as highly sensitive nanobiosensors and efficient nanocarriers for IMMUCILLIN-A drugs.

  3. Synergic effect of the TiO2-CeO2 nanoconjugate system on the band-gap for visible light photocatalysis

    International Nuclear Information System (INIS)

    Contreras-García, M.E.; García-Benjume, M. Lorena; Macías-Andrés, Víctor I.; Barajas-Ledesma, E.; Medina-Flores, A.; Espitia-Cabrera, M.I.

    2014-01-01

    Graphical abstract: - Highlights: • Nanostructured TiO 2 -CeO 2 films are successfully synthesized by combining of sputtering and electrophoresis methods. • Synergic effect of CeO 2 on TiO 2 band gap was demonstrated, CeO 2 diminishes it from 3.125 to 2.74. • Morphologic characterization of the nanoconjugate TiO 2 -CeO 2 films by different microscopy techniques. - Abstract: The TiO 2 -CeO 2 photocatalytic system in films is proposed here, in order to obtain photocatalytic systems that can be excited by solar light. The films were obtained through the electrophoretic deposition (EPD) of TiO 2 -CeO 2 gel on sputtered Ti Corning glass substrates. The synergic effect of CeO 2 in TiO 2 films was analyzed as a function of the optical band gap reduction at different concentrations (1, 5, 10, and 15 mol%). The effect of two thermal treatments was also evaluated. The lowest band gap value was obtained for the sample with 5 mol% ceria that was thermally treated at 700 °C. The nanostructured films were characterized by Raman spectroscopy, scanning electron microscopy (SEM), transmission electron microscopy (TEM), high angle annular dark field (HAADF), high resolution transmission electron microscopy (HRTEM), and atomic force microscopy (AFM). The nanocomposites were formed by TiO 2 and CeO 2 nanoparticles in the anatase and fluorite type phases, respectively

  4. Biofilm formation on a TiO2 nanotube with controlled pore diameter and surface wettability

    International Nuclear Information System (INIS)

    Anitha, V C; Narayan Banerjee, Arghya; Woo Joo, Sang; Lee, Jin-Hyung; Lee, Jintae; Ki Min, Bong

    2015-01-01

    Titania (TiO 2 ) nanotube arrays (TNAs) with different pore diameters (140 − 20 nm) are fabricated via anodization using hydrofluoric acid (HF) containing ethylene glycol (EG) by changing the HF-to-EG volume ratio and the anodization voltage. To evaluate the effects of different pore diameters of TiO 2 nanotubes on bacterial biofilm formation, Shewanella oneidensis (S. oneidensis) MR-1 cells and a crystal-violet biofilm assay are used. The surface roughness and wettability of the TNA surfaces as a function of pore diameter, measured via the contact angle and AFM techniques, are correlated with the controlled biofilm formation. Biofilm formation increases with the decreasing nanotube pore diameter, and a 20 nm TiO 2 nanotube shows the maximum biofilm formation. The measurements revealed that 20 nm surfaces have the least hydrophilicity with the highest surface roughness of ∼17 nm and that they show almost a 90% increase in the effective surface area relative to the 140 nm TNAs, which stimulate the cells more effectively to produce the pili to attach to the surface for more biofilm formation. The results demonstrate that bacterial cell adhesion (and hence, biofilm formation) can effectively be controlled by tuning the roughness and wettability of TNAs via controlling the pore diameters of TNA surfaces. This biofilm formation as a function of the surface properties of TNAs can be a potential candidate for both medical applications and as electrodes in microbial fuel cells. (paper)

  5. High Photocatalytic Performance of Two Types of Graphene Modified TiO2 Composite Photocatalysts

    Science.gov (United States)

    Zhang, Jun; Li, Sen; Tang, Bo; Wang, Zhengwei; Ji, Guojian; Huang, Weiqiu; Wang, Jinping

    2017-07-01

    High quality and naturally continuous structure of three-dimensional graphene network (3DGN) endow it a promising candidate to modify TiO2. Although the resulting composite photocatalysts display outstanding performances, the lacking of active sites of the 3DGN not only goes against a close contact between the graphene basal plane and TiO2 nanoparticles (weaken electron transport ability) but also limits the efficient adsorption of pollutant molecules. Similar with surface functional groups of the reduced graphene oxide (RGO) nanosheets, surface defects of the 3DGN can act as the adsorption sites. However, the defect density of the 3DGN is difficult to control (a strict cool rate of substrate and a strict flow of precursor gas are necessary) because of its growth approach (chemical vapor deposition method). In this study, to give full play to the functions of graphene, the RGO nanosheets and 3DGN co-modified TiO2 composite photocatalysts are prepared. After optimizing the mass fraction of the RGO nanosheets in the composite photocatalyst, the resulting chemical adsorption ability and yields of strong oxidizing free radicals increase significantly, indicating the synergy of the RGO nanosheets and 3DGN.

  6. Facile synthesis of CdS@TiO2 core–shell nanorods with controllable shell thickness and enhanced photocatalytic activity under visible light irradiation

    International Nuclear Information System (INIS)

    Dong, Wenhao; Pan, Feng; Xu, Leilei; Zheng, Minrui; Sow, Chorng Haur; Wu, Kai; Xu, Guo Qin

    2015-01-01

    Graphical abstract: - Highlights: • CdS nanorods were coated with amorphous TiO 2 shells under a mild condition. • The TiO 2 shell thickness can be controlled from 3.5 to 40 nm. • CdS@TiO 2 nanorods exhibit enhanced photocatalytic activities under visible light. • Efficient charge carriers separation leads to the improved photocatalytic activity. - Abstract: Amorphous TiO 2 layers with a controllable thickness from 3.5 to 40 nm were coated on the one-dimensional CdS nanorods surface under mild conditions. Compared to the bare CdS nanorods, the as-prepared CdS@TiO 2 nanorods exhibit enhanced photocatalytic activities for phenol photodecomposition under visible light irradiation. The improved photoactivity is ascribed to the efficient separation of photogenerated electron and hole charge carriers between CdS cores and TiO 2 shells. This study promises a simple approach to fabricating CdS@TiO 2 core–shell structure nanocomposites, and can be applied for other semiconductor cores with TiO 2 shells

  7. Tailoring the Activity for Oxygen Evolution Electrocatalysis on Rutile TiO2(110) by Transition-Metal Substitution

    DEFF Research Database (Denmark)

    Garcia-Mota, Monica; Vojvodic, Aleksandra; Metiu, Horia

    2011-01-01

    The oxygen evolution reaction (OER) on the rutile M-TiO2(110) (M = V, Nb, Ta, Cr, Mo, W, Mn, Fe, Ru, Ir, Ni) surfaces was investigated by using density functional theory calculations. The stability of different doped TiO2 systems was analyzed. The scaling relationship between the binding energies...... of OER intermediates (HOO* versus HO*) is found to follow essentially the same trend as for undoped oxides. Our theoretical analysis shows a lower overpotential associated with OER on the doped M-TiO2(110) than on the undoped TiO2(110). The theoretical activity of Cr-, Mo-, Mn-, and Ir-doped TiO2...

  8. Synthesis of Nanocrystalline SnO2 Modified TiO2:a Material for Carbon Monoxide Gas Sensor

    Directory of Open Access Journals (Sweden)

    A. B. BODADE

    2008-11-01

    Full Text Available Nanocrystalline SnO2 doped TiO2 having average crystallite size of 45-50 nm were synthesized by the sol-gel method and studied for gas sensing behavior to reducing gases like CO, liquefied petroleum gas (LPG, NH3 and H2. The material characterization was done by using X-ray diffraction (XRD, Fourier transform infrared spectroscopy (FT-IR and scanning electron microscope (SEM. The sensitivity measurements were carried out as a function of different operating temperature in SnO2 doped TiO2. The 15 wt.% SnO2 doped TiO2 based CO sensor shows better sensitivity at an operating temperature 240°C Incorporation of 0.5 wt% Pd improved the sensitivity, selectivity, response time and reduced the operating temperature from 240°C to 200°C for CO sensor.

  9. Band structure engineering of semiconductors for enhanced photoelectrochemical water splitting: The case of TiO2

    Science.gov (United States)

    Yin, Wan-Jian; Tang, Houwen; Wei, Su-Huai; Al-Jassim, Mowafak M.; Turner, John; Yan, Yanfa

    2010-07-01

    Here, we propose general strategies for the rational design of semiconductors to simultaneously meet all of the requirements for a high-efficiency, solar-driven photoelectrochemical (PEC) water-splitting device. As a case study, we apply our strategies for engineering the popular semiconductor, anatase TiO2 . Previous attempts to modify known semiconductors such as TiO2 have often focused on a particular individual criterion such as band gap, neglecting the possible detrimental consequence to other important criteria. Density-functional theory calculations reveal that with appropriate donor-acceptor coincorporation alloys with anatase TiO2 hold great potential to satisfy all of the criteria for a viable PEC device. We predict that (Mo, 2N) and (W, 2N) are the best donor-acceptor combinations in the low-alloy concentration regime whereas (Nb, N) and (Ta, N) are the best choice of donor-acceptor pairs in the high-alloy concentration regime.

  10. Selective binding of oligonucleotide on TiO2 surfaces modified by swift heavy ion beam lithography

    International Nuclear Information System (INIS)

    Vicente Pérez-Girón, J.; Hirtz, M.; McAtamney, C.; Bell, A.P.; Antonio Mas, J.; Jaafar, M.; Luis, O. de; Fuchs, H.

    2014-01-01

    We have used swift heavy-ion beam based lithography to create patterned bio-functional surfaces on rutile TiO 2 single crystals. The applied lithography method generates a permanent and well defined periodic structure of micrometre sized square holes having nanostructured TiO 2 surfaces, presenting different physical and chemical properties compared to the surrounding rutile single crystal surface. On the patterned substrates selective binding of oligonucleotides molecules is possible at the surfaces of the holes. This immobilisation process is only being controlled by UV light exposure. The patterned transparent substrates are compatible with fluorescence detection techniques, are mechanically robust, have a high tolerance to extreme chemical and temperature environments, and apparently do not degrade after ten cycles of use. These qualities make the patterned TiO 2 substrates useful for potential biosensor applications

  11. Magnetic-plasmonic multilayered nanorods

    Science.gov (United States)

    Thumthan, Orathai

    Multilayered nanorods which consist of alternating magnetic layers separated by Au layers combine two distinctive properties, magnetic properties and surface plasmonic resonance (SPR) properties into one nano-entity. Their magnetic properties are tunable by changing the layer thickness, varying from single domain to superparamagnetic state. Superparamagnetic is a key requirement for magnetic nanoparticles for bioapplications. Superparamagnetic nanoparticles exhibit high magnetic moments at low applied magnetic field while retain no magnetic moments when magnetic field is removed preventing them from aggregation due to magnetic attraction. Au layers in the nanorods provide anchorage sites for functional group attachment. Also, Au nanodisks exhibit SPR properties. The SPR peak can be tuned from 540 nm to 820 nm by controlling the thickness of magnetic segments while keeping Au thickness constant. In this research, there are three types of multilayered nanorod have been fabricated: Au/NiFe nanorods, Au/Fe nanorods, and Au/Co nanorods. These magnetic nanorods were fabricated by templated electrodeposition into the channels in Anodic Aluminum Oxide (AAO) membrane. The setup for AAO fabrication was developed as a part of this research. Our fabricated AAO membrane has channels with a diameter ranging from 40nm to 80 nm and a thickness of 10um to 12um. Magnetic properties of nanorods such as saturation field, saturation moment, coercivity and remanence are able to manipulate through their shape anisotropy. The magnetization will be easier in long axis rather than short axis of particle. In addition, Au nanodisks in the nanorod structure are not only serving as anchorage sites for functional groups but also provide SPR properties. Under irradiation of light Au nanodisks strongly absorb light at SPR frequency which ranging from 540 nm to 820 nm by controlling the thickness of magnetic segments while keeping Au thickness constant. The SPR tunability of nanorods in near

  12. Facile one step synthesis of novel TiO2 nanocoral by sol-gel method using Aloe vera plant extract

    Science.gov (United States)

    Venkatesh, K. S.; Krishnamoorthi, S. R.; Palani, N. S.; Thirumal, V.; Jose, Sujin P.; Wang, Fu-Ming; Ilangovan, R.

    2015-05-01

    Titanium oxide (TiO2) nanoparticles (NPs) were synthesized by sol gel method using Aloe vera plant extract as a biological capping agent and a cauliflower-nanocoral morphology was observed in this technique. The assynthesized TiO2 nanopowder was calcined at a range of temperatures (300-600 °C) for 1 h. The influence of A. vera plant extract on the thermal, structural and morphological properties of TiO2 nanopowder was evaluated. Thermogravimetric analysis/differential thermal analysis was employed to study the thermal properties of the assynthesized TiO2 nanopowder. The crystallinity, phase transformation and the crystallite size of the calcined samples were studied by X-ray diffraction technique. XRD result confirmed the presence of TiO2 with anatase phase. FT Raman spectra showed the Raman active modes pertaining to the TiO2 anatase phase and Raman band shift was also observed with respect to particle size variation. The different functional group vibrations of as dried pure A. vera plant extract were compared with the mixture of TiO2 and A. vera plant extract by FT-IR analysis. The scanning electron microscopy images apparently showed the formation of spherical shaped NPs and also it demonstrated the effect of A. vera plant extract on the reduction of particles size. The surface area of the TiO2 NPs was measured through Brunauer-Emmett-Teller analysis. Transmission electron microscopy images ascertained that the spherical shaped TiO2 NPs were formed with cauliflower-nanocoral morphology decorated with nanopolyps with the size range between 15 and 30 nm.

  13. Evaluation of the antifouling and photocatalytic properties of poly(vinylidene fluoride) plasma-grafted poly(acrylic acid) membrane with self-assembled TiO2

    International Nuclear Information System (INIS)

    You, Sheng-Jie; Semblante, Galilee Uy; Lu, Shao-Chung; Damodar, Rahul A.; Wei, Ta-Chin

    2012-01-01

    Highlights: ► Plasma and grafting parameters that maximized TiO 2 binding sites were found. ► PVDF hydrophilicity was vastly improved compared to other modification techniques. ► At least 1.5% TiO 2 and 30 min UV exposure were needed to attain full flux recovery. ► Photocatalytic membranes could remove up to 42% of 50 mg/l RB5 dye. - Abstract: Immobilization of TiO 2 is a promising approach that produces antifouling and photocatalytic membranes that could help advance wastewater treatment and re-use processes. In this study, poly(acrylic acid) (PAA) was plasma-grafted on commercial poly(vinylidene fluoride) (PVDF) to introduce functional groups on the membrane surface that can support the nanoparticles. It was found that plasma treatment at 100 W for 120 s followed by liquid grafting with 70% aqueous AA at 60 °C for 2 h maximized the number of TiO 2 binding sites. Membrane hydrophilicity was tremendously enhanced by the self-assembly of TiO 2 , following a direct proportionality to TiO 2 loading. The membrane with 0.5% TiO 2 loading maintained the highest pure water flux and the best protein antifouling property. UV irradiation triggered the photodegradation of strongly bound foulants, but at least 1.5% TiO 2 and 30 min cumulative irradiation were necessary to completely recover the membrane's original performance. The TiO 2 -modified membranes removed 30–42% of 50 mg/l aqueous Reactive Black 5 (RB5) dye. The fabricated membranes demonstrate huge potential for use in membrane reactors with high hydrophilicity, fouling mitigation, and photocatalytic capability.

  14. Photocatalytic Degradation of Methylene Blue under UV Light Irradiation on Prepared Carbonaceous TiO2

    Directory of Open Access Journals (Sweden)

    Zatil Amali Che Ramli

    2014-01-01

    Full Text Available This study involves the investigation of altering the photocatalytic activity of TiO2 using composite materials. Three different forms of modified TiO2, namely, TiO2/activated carbon (AC, TiO2/carbon (C, and TiO2/PANi, were compared. The TiO2/carbon composite was obtained by pyrolysis of TiO2/PANi prepared by in situ polymerization method, while the TiO2/activated carbon (TiO2/AC was obtained after treating TiO2/carbon with 1.0 M KOH solution, followed by calcination at a temperature of 450°C. X-ray powder diffraction (XRD, transmission electron microscopy (TEM, Fourier transform infrared (FTIR, thermogravimetric analysis (TG-DTA, Brunauer-Emmet-Teller (BET, and UV-Vis spectroscopy were used to characterize and evaluate the prepared samples. The specific surface area was determined to be in the following order: TiO2/AC > TiO2/C > TiO2/PANi > TiO2 (179 > 134 > 54 > 9 m2 g−1. The evaluation of photocatalytic performance for the degradation of methylene blue under UV light irradiation was also of the same order, with 98 > 84.7 > 69% conversion rate, which is likely to be attributed to the porosity and synergistic effect in the prepared samples.

  15. Stability analysis and structural rules of titanium dioxide clusters (TiO2)n with n = 1-9

    International Nuclear Information System (INIS)

    Zhang Weiwei; Han Ye; Yao Shuyu; Sun Haiqing

    2011-01-01

    Highlights: · We investigated the structure and stability of (TiO 2 ) n clusters with n = 1-9. · Some initial structures are introduced and proved to be the real global minimum. · We summarized the structural rules for small (TiO 2 ) n clusters. · The bonding features for the energy increment or decrement of the clusters are investigated. · A general shift of stability and reactivity with size for (TiO 2 ) n clusters. - Abstract: Atomic clusters have been considered as models for fundamental mechanistic insight into complex surfaces and catalysts. The structure and stability of (TiO 2 ) n clusters with n = 1-9 are investigated using the b3lyp hybrid density functional method in this paper. Some of the clusters are proposed initially and proved to be the real global minima. The stability and band gap of the clusters as a function of size are also investigated. The structural rules of the clusters are first summarized. The lowest-lying (TiO 2 ) n isomers tend to form some compact rather than quasi-linear or circular structures. The oxygen atom in 4-fold coordination and the titanium atom in 4-fold coordination favor the cluster stability. The 5-fold coordinated Ti-atom, the Ti-Ti bond and the terminal Ti-O bond lead to stability penalty for the clusters. No evidence for a regular variation in stability or reactivity with size of the clusters has shown. The structural rules can serve as guiding factors for formation research and structure design of (TiO 2 ) n and other transition metal oxide clusters.

  16. Fabrication of graphene/titanium carbide nanorod arrays for chemical sensor application

    International Nuclear Information System (INIS)

    Fu, Chong; Li, Mingji; Li, Hongji; Li, Cuiping; Qu, Changqing; Yang, Baohe

    2017-01-01

    Vertically stacked graphene nanosheet/titanium carbide nanorod array/titanium (graphene/TiC nanorod array) wires were fabricated using a direct current arc plasma jet chemical vapor deposition (DC arc plasma jet CVD) method. The graphene/TiC nanorod arrays were characterized by scanning electron microscopy, transmission electron microscopy, Raman spectroscopy, X-ray photoelectron spectroscopy, and X-ray diffraction spectroscopy. The TiO 2 nanotube array was reduced to the TiC nanorod array, and using those TiC nanorods as nucleation sites, the vertical graphene layer was formed on the TiC nanorod surface. The multi-target response mechanisms of the graphene/TiC nanorod array were investigated for ascorbic acid (AA), dopamine (DA), uric acid (UA), and hydrochlorothiazide (HCTZ). The vertically stacked graphene sheets facilitated the electron transfer and reactant transport with a unique porous surface, high surface area, and high electron transport network of CVD graphene sheets. The TiC nanorod array facilitated the electron transfer and firmly held the graphene layer. Thus, the graphene/TiC nanorod arrays could simultaneously respond to trace biomarkers and antihypertensive drugs. - Highlights: • Vertical graphene sheets were prepared with Ti as the catalyst via a CVD method. • TiO 2 nanotubes were key transition layers in the formation of the TiC nanorods. • Vertical growth mechanism of graphene products was discussed. • Biomolecules were detected to be a chemical sensor. • Response mechanism for analytes at the graphene/TiC nanorod array was discussed.

  17. Sulphur doped nanoparticles of TiO2

    Czech Academy of Sciences Publication Activity Database

    Szatmáry, Lórant; Bakardjieva, Snejana; Šubrt, Jan; Bezdička, Petr; Jirkovský, Jaromír; Bastl, Zdeněk; Brezová, V.; Korenko, M.

    2011-01-01

    Roč. 161, č. 1 (2011), s. 23-28 ISSN 0920-5861 R&D Projects: GA MŠk 1M0577 Institutional research plan: CEZ:AV0Z40400503; CEZ:AV0Z40320502 Keywords : photocatalyst * S-doped TiO2 * Thiourea Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.407, year: 2011

  18. Impedance spectroscopy studies of surface engineered TiO2 ...

    Indian Academy of Sciences (India)

    Administrator

    Impedance; nanoTiO2; self-assembled monolayers; electrical resistivity; permittivity. 1. Introduction ... search studies showed that nanostructured TiO2 ceramics possess ..... tion handbook (ed) J Cazes (New York: Marcel Dekker). 3rd ed, p ...

  19. Supercritical Flow Synthesis of TiO2

    DEFF Research Database (Denmark)

    Hellstern, Henrik Christian; Becker, Jacob; Hald, Peter

    2014-01-01

    A new, up-scaled supercritical flow synthesis apparatus has been constructed in Aarhus. A module based system allows for a range of parameter studies with improved parameter control. The dual-reactor setup enables both single phase and core-shell nanoparticle synthesis. TiO2 is a well-known mater...

  20. Fluoropolymer - TiO2 coatings and their superhydrophilicity

    DEFF Research Database (Denmark)

    Søgaard, Erik Gydesen; Simonsen, Morten Enggrob; Jepsen, Henrik

    In this work the superhydrophilicity of coatings on fluoropolymer were investigated. The different coatings were prepared by help of P25 Degussa TiO2 powder, titaniumisopropoxide, Lumiflon® and two different curing agents (BL 3175 and Cymel 303). The investigations were performed by help of a sta...

  1. 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 ...

  2. Protein Corona Prevents TiO2 Phototoxicity.

    Directory of Open Access Journals (Sweden)

    Maja Garvas

    Full Text Available TiO2 nanoparticles have generally low toxicity in the in vitro systems although some toxicity is expected to originate in the TiO2-associated photo-generated radical production, which can however be modulated by the radical trapping ability of the serum proteins. To explore the role of serum proteins in the phototoxicity of the TiO2 nanoparticles we measure viability of the exposed cells depending on the nanoparticle and serum protein concentrations.Fluorescence and spin trapping EPR spectroscopy reveal that the ratio between the nanoparticle and protein concentrations determines the amount of the nanoparticles' surface which is not covered by the serum proteins and is proportional to the amount of photo-induced radicals. Phototoxicity thus becomes substantial only at the protein concentration being too low to completely coat the nanotubes' surface.These results imply that TiO2 nanoparticles should be applied with ligands such as proteins when phototoxic effects are not desired - for example in cosmetics industry. On the other hand, the nanoparticles should be used in serum free medium or any other ligand free medium, when phototoxic effects are desired - as for efficient photodynamic cancer therapy.

  3. Thermal analysis and temperature dependent dielectric responses of Co doped anatase TiO2 nanoparticles

    International Nuclear Information System (INIS)

    Alamgir; Khan, Wasi; Ahammed, Nashiruddin; Naqvi, A. H.; Ahmad, Shabbir

    2015-01-01

    Nanoparticles (NPs) of pure and 5 mol % cobalt doped TiO 2 synthesized through acid modified sol-gel method were characterized to understand their thermal, structural, morphological, and temperature dependent dielectric properties. Thermogravimetric analysis (TGA) has been used for thermal studies and indicates the weight loss in two steps due to the removal of residual organics. X-ray diffraction study was employed to confirm the formation of single anatase phase with tetragonal symmetry for both pure and 5 mol % Co doped TiO 2 NPs. The average crystallite size of both samples was calculated from the Scherrer’s formula and was found in the range from 9-11 nm. TEM micrographs of these NPs reflect their shape and distribution. The dielectric constant (ε′), dielectric loss (tanδ) and ac conductivity (σ ac ) were also studied as a function of temperature at different frequencies. Electrical responses of the synthesized NPs have been analyzed carefully in the framework of relevant models. It is also noticed that the dielectric constant (ε′) of the samples found to decrease with increasing frequency but increases with increasing temperature up to a particular value and then sharply decreases. Temperature variation of dielectric constant exhibits step like escalation and shows relaxation behavior. Study of dielectric properties shows dominant dependence on the grain size as well as Co ion incorporation in TiO 2

  4. Pilarization TiO2 onto De-oiled spent bleaching clay using Rarasaponin as surfactant

    Science.gov (United States)

    Hindryawati, N.; Daniel; Erwin; Fadillah, N. D.

    2018-03-01

    Synthesis and characterization TiO2 pillared deoiled spent bleaching clay (DSBC) with rarasaponin as surfactant had been done. Activation DSBC have been done with H2SO4 1N, followed by pillarization with TiO2 using rarasaponin as surfactant. Characterization has done with Fourier transform infrared spectroscopy showed the rarasaponin as surfactant was successfully carried out in DSBC with the presence of absorption peak C=O stretching group in a sharp 1720.50 cm-1 wavelength range. As well as the C-CH2 stretching uptake peak is represented on wave number 1462.04 cm-1 and 1033,85 cm-1 for aromatic functional group C=C stretching. After pillared by TiO2, the XRD pattern on DSBC showed new peak appears on 2θ = 27,4460° 36,0850° and 55,3216° and the mineral contain on DSBC is rectorite with dioctahedral mica layer and dioctahedral smectite with ratio 2:1. This molecule have formula Na.Al4(Si, Al)8.O20.(OH)4. H2O. Crystallinty of pillared clay showed 72,5014 % after calcination and there is some Ti suspected on the layer based on SEM.

  5. TiO2 nanowire-templated hierarchical nanowire network as water-repelling coating

    Science.gov (United States)

    Hang, Tian; Chen, Hui-Jiuan; Xiao, Shuai; Yang, Chengduan; Chen, Meiwan; Tao, Jun; Shieh, Han-ping; Yang, Bo-ru; Liu, Chuan; Xie, Xi

    2017-12-01

    Extraordinary water-repelling properties of superhydrophobic surfaces make them novel candidates for a great variety of potential applications. A general approach to achieve superhydrophobicity requires low-energy coating on the surface and roughness on nano- and micrometre scale. However, typical construction of superhydrophobic surfaces with micro-nano structure through top-down fabrication is restricted by sophisticated fabrication techniques and limited choices of substrate materials. Micro-nanoscale topographies templated by conventional microparticles through surface coating may produce large variations in roughness and uncontrollable defects, resulting in poorly controlled surface morphology and wettability. In this work, micro-nanoscale hierarchical nanowire network was fabricated to construct self-cleaning coating using one-dimensional TiO2 nanowires as microscale templates. Hierarchical structure with homogeneous morphology was achieved by branching ZnO nanowires on the TiO2 nanowire backbones through hydrothermal reaction. The hierarchical nanowire network displayed homogeneous micro/nano-topography, in contrast to hierarchical structure templated by traditional microparticles. This hierarchical nanowire network film exhibited high repellency to both water and cell culture medium after functionalization with fluorinated organic molecules. The hierarchical structure templated by TiO2 nanowire coating significantly increased the surface superhydrophobicity compared to vertical ZnO nanowires with nanotopography alone. Our results demonstrated a promising strategy of using nanowires as microscale templates for the rational design of hierarchical coatings with desired superhydrophobicity that can also be applied to various substrate materials.

  6. TiO2--a prototypical memristive material.

    Science.gov (United States)

    Szot, K; Rogala, M; Speier, W; Klusek, Z; Besmehn, A; Waser, R

    2011-06-24

    Redox-based memristive switching has been observed in many binary transition metal oxides and related compounds. Since, on the one hand, many recent reports utilize TiO(2) for their studies of the memristive phenomenon and, on the other hand, there is a long history of the electronic structure and the crystallographic structure of TiO(2) under the impact of reduction and oxidation processes, we selected this material as a prototypical material to provide deeper insight into the mechanisms behind memristive switching. In part I, we briefly outline the results of the historical and recent studies of electroforming and resistive switching of TiO(2)-based cells. We describe the (tiny) stoichiometrical range for TiO(2 - x) as a homogeneous compound, the aggregation of point defects (oxygen vacancies) into extended defects, and the formation of the various Magnéli phases. Furthermore, we discuss the driving forces for these solid-state reactions from the thermodynamical point of view. In part II, we provide new experimental details about the hierarchical transformation of TiO(2) single crystals into Magnéli phases, and vice versa, under the influence of chemical, electrical and thermal gradients, on the basis of the macroscopic and nanoscopic measurements. Those include thermogravimetry, high-temperature x-ray diffraction (XRD), high-temperature conductivity measurements, as well as low-energy electron diffraction (LEED), x-ray photoelectron spectroscopy (XPS), and LC-AFM (atomic force microscope equipped with a conducting tip) studies. Conclusions are drawn concerning the relevant parameters that need to be controlled in order to tailor the memristive properties.

  7. The use of simulated or concentrated natural solar radiation for the TiO2-mediated photodecomposition of Basagran, diquat, and diuron

    International Nuclear Information System (INIS)

    Kinkennon, A.E.; Green, D.B.; Hutchinson, B.

    1995-01-01

    Suspensions of TiO 2 were illuminated with simulated or concentrated solar radiation to mineralize solutions of the herbicides Basagran, Diquat, and Diuron. The design of a functional recirculating system is reported. Decomposition rates were significantly increased when concentrated solar radiation was used. Decomposition rates also depend on the compound studied. This study demonstrates the possibility of using high intensity concentrated solar radiation for the TiO 2 -mediated photocatalytic decomposition of water-borne organic wastes. (author)

  8. An Alternative to Annealing TiO2 Nanotubes for Morphology Preservation: Atmospheric Pressure Plasma Jet Treatment.

    Science.gov (United States)

    Seo, Sang-Hee; Uhm, Soo-Hyuk; Kwon, Jae-Sung; Choi, Eun Ha; Kim, Kwang-Mahn; Kim, Kyoung-Nam

    2015-03-01

    Titanium oxide nanotube layer formed by plasma electrolytic oxidation (PEO) is known to be excellent in biomaterial applications. However, the annealing process which is commonly performed on the TiO2 nanotubes cause defects in the nanotubular structure. The purpose of this work was to apply a non-thermal atmospheric pressure plasma jet on diameter-controlled TiO2 nanotubes to mimic the effects of annealing while maintaining the tubular structure for use as biomaterial. Diameter-controlled nanotube samples fabricated by plasma electrolytic oxidation were dried and prepared under three different conditions: untreated, annealed at 450 °C for 1 h in air with a heating rate of 10 °C/min, and treated with an air-based non-thermal atmospheric pressure plasma jet for 5 minutes. The contact angle measurement was investigated to confirm the enhanced hydrophilicity of the TiO2 nanotubes. The chemical composition of the surface was studied using X-ray photoelectron spectroscopy, and the morphology of TiO2 nanotubes was examined by field emission scanning electron microscopy. For the viability of the cell, the attachment of the osteoblastic cell line MC3T3-E1 was determined using the water-soluble tetrazolium salt assay. We found that there are no morphological changes in the TiO2 nanotubular structure after the plasma treatment. Also, we investigated a change in the chemical composition and enhanced hydrophilicity which result in improved cell behavior. The results of this study indicated that the non-thermal atmospheric pressure plasma jet results in osteoblast functionality that is comparable to annealed samples while maintaining the tubular structure of the TiO2 nanotubes. Therefore, this study concluded that the use of a non-thermal atmospheric pressure plasma jet on nanotube surfaces may replace the annealing process following plasma electrolytic oxidation.

  9. Fabrication of TiO2/Carbon Photocatalyst using Submerged DC Arc Discharged in Ethanol/Acetic Acid Medium

    Science.gov (United States)

    Saraswati, T. E.; Nandika, A. O.; Andhika, I. F.; Patiha; Purnawan, C.; Wahyuningsih, S.; Rahardjo, S. B.

    2017-05-01

    This study aimed to fabricate a modified photocatalyst of TiO2/C to enhance its performance. The fabrication was achieved using the submerged direct current (DC) arc-discharge method employing two graphite electrodes, one of which was filled with a mixture of carbon powder, TiO2, and binder, in ethanol with acetic acid added in various concentrations. The arc-discharge method was conducted by flowing a current of 10-20 A (~20 V). X-ray diffraction (XRD) patterns showed significant placements of the main peak characteristics of TiO2, C graphite, and titanium carbide. The surface analysis using Fourier transform infrared spectroscopy (FTIR) revealed that fabricated TiO2/C nanoparticles had stretching vibrations of Ti-O, C-H, C═O, C-O, O-H and C═C in the regions of 450-550 cm-1, 2900-2880 cm-1, 1690-1760 cm-1, 1050-1300 cm-1, 3400-3700 cm-1 and ~1600 cm-1, respectively. In addition, the study investigated the photocatalysts of unmodified and modified TiO2/C for photodegradation of methylene blue (MB) dye solution under mercury lamp irradiation. The effectiveness of the degradation was defined by the decrease in 60-minute absorbance under a UV-Vis spectrophotometer. Modified TiO2/C proved to be significantly more efficient in reducing dye concentrations, reaching ~70%. It indicated that the oxygen-containing functional groups have been successfully attached to the surface of the nanoparticles and played a role in enhancing photocatalytic activity.

  10. Characteristics of zinc oxide nanorod array/titanium oxide film heterojunction prepared by aqueous solution deposition

    Science.gov (United States)

    Lee, Ming-Kwei; Hong, Min-Hsuan; Li, Bo-Wei

    2016-07-01

    The characteristics of a ZnO nanorod array/TiO2 film heterojunction were investigated. A TiO2 film was prepared on glass by aqueous solution deposition with precursors of ammonium hexafluorotitanate and boric acid at 40 °C. Then, a ZnO seed layer was prepared on a TiO2 film/glass substrate by RF sputtering. A vertically oriented ZnO nanorod array was grown on a ZnO seed layer/TiO2 film/glass substrate by aqueous solution deposition with precursors of zinc nitrate and hexamethylenetetramine (HMT) at 70 °C. After thermal annealing in N2O ambient at 300 °C, this heterojunction used as an oxygen gas sensor shows much better rise time, decay time, and on/off current ratio than as-grown and annealed ZnO nanorods.

  11. Synthesis of nanocomposite coating based on TiO2/ZnAl layer double hydroxides; Síntesis de un revestimiento nanocompuesto basado en TiO2 / ZnAl hidróxidos dobles en capas

    Energy Technology Data Exchange (ETDEWEB)

    Jovanov, V.; Rudic, O.; Ranogajec, J.; Fidanchevska, E.

    2017-07-01

    The aim of this investigation was the synthesis of nanocomposite coatings based on Zn-Al layered double hydroxides (Zn-Al LDH) and TiO2. The Zn-Al LDH material, which acted as the catalyst support of the active TiO2 component (in the content of 3 and 10 wt. %), was synthesized by a low super saturation co-precipitation method. The interaction between the Zn-Al LDH and the active TiO2 component was accomplished by using vacuum evaporation prior to the mechanical activation and only by mechanical activation. The final suspension based on Zn-Al LDH and 10wt. % TiO2, impregnated only by mechanical activation, showed the optimal characteristics from the aspect of particle size distribution and XRD analysis. These properties had a positive effect on the functional properties of the coatings (photocatalytic activity and self-cleaning efficiency) after the water rinsing procedure. [Spanish] El objetivo de esta investigación fue la preparación de recubrimientos de nanocompuestos basados en Zn-Al hidróxidos dobles en capas (Zn-Al LDH) y TiO2. El material de LDH Zn-Al, que actuaba como catalizador del componente activo TiO2 (en el contenido de 3 y 10 en peso.%), se sintetizó por un método de co-precipitación con baja sobresaturación. La interacción entre el Zn-Al LDH y el componente activo TiO2 se llevó a cabo mediante el uso de la evaporación al vacío antes de la activación mecánica y sólo por activación mecánica. La suspensión final basada en Zn-Al LDH y 10wt. % TiO2, impregnada solamente por la activación mecánica, mostró las características óptimas desde el aspecto de la distribución de tamaño de partícula y análisis de XRD. Estas propiedades tenían un efecto positivo sobre las propiedades funcionales de los revestimientos (actividad fotocatalítica y eficiencia de auto-limpieza) después del procedimiento de aclarado de agua.

  12. Synthesis of calcium-phosphorous doped TiO2 nanotubes by anodization and reverse polarization: A promising strategy for an efficient biofunctional implant surface

    International Nuclear Information System (INIS)

    Alves, Sofia A.; Patel, Sweetu B.; Sukotjo, Cortino; Mathew, Mathew T.; Filho, Paulo N.; Celis, Jean-Pierre

    2017-01-01

    Highlights: • A new surface modification methodology for bio-functionalization of TiO2 NTs is addressed • Bone-like structured TiO2 nanotubular surfaces containing Ca and P were synthesized. • Ca/P-doped TiO2 NTs enhanced adhesion and proliferation of osteoblastic-like cells. • The bio-functionalization granted improved bio-electrochemical stability to TiO2 NTs. - Abstract: The modification of surface features such as nano-morphology/topography and chemistry have been employed in the attempt to design titanium oxide surfaces able to overcome the current dental implants failures. The main goal of this study is the synthesis of bone-like structured titanium dioxide (TiO 2 ) nanotubes enriched with Calcium (Ca) and Phosphorous (P) able to enhance osteoblastic cell functions and, simultaneously, display an improved corrosion behavior. To achieve the main goal, TiO 2 nanotubes were synthetized and doped with Ca and P by means of a novel methodology which relied, firstly, on the synthesis of TiO 2 nanotubes by anodization of titanium in an organic electrolyte followed by reverse polarization and/or anodization, in an aqueous electrolyte. Results show that hydrophilic bone-like structured TiO 2 nanotubes were successfully synthesized presenting a highly ordered nano-morphology characterized by non-uniform diameters. The chemical analysis of such nanotubes confirmed the presence of CaCO 3 , Ca 3 (PO 4 ) 2 , CaHPO 4 and CaO compounds. The nanotube surfaces submitted to reverse polarization, presented an improved cell adhesion and proliferation compared to smooth titanium. Furthermore, these surfaces displayed a significantly lower passive current in artificial saliva, and so, potential to minimize their bio-degradation through corrosion processes. This study addresses a very simple and promising multidisciplinary approach bringing new insights for the development of novel methodologies to improve the outcome of osseointegrated implants.

  13. Fabrication of Eu-TiO2 NCs functionalized cotton textile as a multifunctional photocatalyst for dye pollutants degradation

    Science.gov (United States)

    Caschera, Daniela; Federici, Fulvio; de Caro, Tilde; Cortese, Barbara; Calandra, Pietro; Mezzi, Alessio; Lo Nigro, Raffaella; Toro, Roberta G.

    2018-01-01

    A modified one step and cost-effective chemical green route has been used to synthesize oleate-capped TiO2 anatase nanocrystals (NCs) doped with different amounts of europium, with high yields and without high-temperature post-calcination processes. Europium doping endowed TiO2 NCs with an intense red luminescence associated with the 5D0 → 7F2 transition of the electronic structure of Eu3+ and was responsible for both the morphological change of the NCs structure (from nanorods to spherical nanoparticles) and the blue shift in the absorption edge respect to the undoped TiO2 NCs. Furthermore, photocatalytic experiments revealed that a low-content (0.5 mol%) Eu3+ doped TiO2 NCs showed the best ability as photocatalyst for the degradation of methylene blue (MB) under both UV and visible light irradiation, even if all the Eu3+ doped oleate-capped TiO2 NCs were more effective under visible light. Moreover, taking advantage of their photocatalytic activity, the 0.5% Eu3+ doped oleate-capped TiO2 photocatalysts has been employed on cotton fabrics. Our results highlighted that functionalization of cotton textile with Eu3+ doped oleate-capped TiO2 NCs imparted new functionalities, such as a high photocatalytic activity toward MB degradation under visible light. In addition, it determined also the change in the wetting behaviour of cotton that switches to a superhydrophobic nature. The obtained fabric also showed stable and robust superhydrophobicity against strong acid and alkaline environments. Multifunctional materials having simultaneously luminescence, superhydrophobicity and visible light photocatalysis are expected to be very useful in many technological applications.

  14. Synthesis and nanostructural investigation of TiO2 nanorods doped ...

    Indian Academy of Sciences (India)

    demonstrate that mixed silicon metal oxides enhance the photocatalytic performance due to improved .... investigate the morphology of the nanoparticles. .... Two issues affect the rod structures: (1) Diffusion of adatoms into the matrix at higher.

  15. Interspace modification of titania-nanorod arrays for efficient mesoscopic perovskite solar cells

    International Nuclear Information System (INIS)

    Chen, Peng; Jin, Zhixin; Wang, Yinglin; Wang, Meiqi; Chen, Shixin; Zhang, Yang; Wang, Lingling; Zhang, Xintong; Liu, Yichun

    2017-01-01

    Highlights: • The fabrication of perovskite solar cells utilizing TiO_2 NR arrays. • Investigation of the interspace effect of TiO_2 NR on perovskite layer. • Understanding of the balance between perovskite capping layer and pore filling. - Abstract: Morphology of electron transport layers (ETLs) has an important influence on the device architecture and electronic processes of mesostructured solar cells. In this work, we thoroughly investigated the effect of the interspace of TiO_2 nanorod (NR) arrays on the photovoltaic performance of the perovskite solar cells (PSCs). Along with the interspace in TiO_2-NR arrays increasing, the thickness as well as the crystal size of perovskite capping layer are reduced accordingly, and the filling of perovskite in the channel becomes incomplete. Electrochemical impedance spectroscopy measurements reveal that this variation of perovskite absorber layer, induced by interspace of TiO_2 NR arrays, causes the change of charge recombination process at the TiO_2/perovskite interface, suggesting that a balance between capping layer and the perovskite filling is critical to obtain high charge collection efficiency of PSCs. A power conversion efficiency of 10.3% could be achieved through careful optimization of interspace in TiO_2-NR arrays. Our research will shed light on the morphology control of ETLs with 1D structure for heterojunction solar cells fabricated by solution-deposited method.

  16. Symbiotic organism search algorithm for simulation of J- V characteristics and optimizing internal parameters of DSSC developed using electrospun TiO2 nanofibers

    Science.gov (United States)

    Vinoth, S.; Kanimozhi, G.; Kumar, Harish; Srinadhu, E. S.; Satyanarayana, N.

    2017-12-01

    In the present investigation, the recently developed, simple, robust, and powerful metaheuristic symbiotic organism search (SOS) algorithm was used for simulation of J- V characteristics and optimizing the internal parameters of the dye-sensitized solar cells (DSSCs) fabricated using electrospun 1-D mesoporous TiO2 nanofibers as photoanode. The efficiency ( η = 5.80 %) of the DSSC made up of TiO2 nanofibers as photoanode is found to be ˜ 21.59% higher compared to the efficiency ( η = 4.77 %) of the DSSC made up of TiO2 nanoparticles as photoanode. The observed high efficiency can be attributed to high dye loading as well as high electron transport in the mesoporous 1-D TiO2 nanofibers. Further, the validity and advantage of SOS algorithm are verified by simulating J- V characteristics of DSSC with Lambert-W function.

  17. Fate of pristine TiO2 nanoparticles and aged paint-containing TiO2 nanoparticles in lettuce crop after foliar exposure.

    Science.gov (United States)

    Larue, Camille; Castillo-Michel, Hiram; Sobanska, Sophie; Trcera, Nicolas; Sorieul, Stéphanie; Cécillon, Lauric; Ouerdane, Laurent; Legros, Samuel; Sarret, Géraldine

    2014-05-30

    Engineered TiO2 nanoparticles (TiO2-NPs) are present in a large variety of consumer products, and are produced in largest amount. The building industry is a major sector using TiO2-NPs, especially in paints. The fate of NPs after their release in the environment is still largely unknown, and their possible transfer in plants and subsequent impacts have not been studied in detail. The foliar transfer pathway is even less understood than the root pathway. In this study, lettuces were exposed to pristine TiO2-NPs and aged paint leachate containing TiO2-NPs and microparticles (TiO2-MPs). Internalization and in situ speciation of Ti were investigated by a combination of microscopic and spectroscopic techniques. Not only TiO2-NPs pristine and from aged paints, but also TiO2-MPs were internalized in lettuce leaves, and observed in all types of tissues. No change in speciation was noticed, but an organic coating of TiO2-NPs is likely. Phytotoxicity markers were tested for plants exposed to pristine TiO2-NPs. No acute phytotoxicity was observed; variations were only observed in glutathione and phytochelatin levels but remained low as compared to typical values. These results obtained on the foliar uptake mechanisms of nano- and microparticles are important in the perspective of risk assessment of atmospheric contaminations. Copyright © 2014 Elsevier B.V. All rights reserved.

  18. Favorable recycling photocatalyst TiO2/CFA: Effects of loading percent of TiO2 on the structural property and photocatalytic activity

    International Nuclear Information System (INIS)

    Shi Jianwen; Chen Shaohua; Ye Zhilong; Wang Shumei; Wu Peng

    2010-01-01

    A series of photocatalysts TiO 2 /CFA were prepared using coal fly ash (CFA), waste discharged from coal-fired power plant, as substrate, and then these photocatalysts were characterized by scanning electron microscope, X-ray diffraction analysis, nitrogen adsorption test and ultraviolet-visible absorption analysis. The effects of loading percent of TiO 2 on the photocatalytic activity and re-use property of TiO 2 /CFA were evaluated by the photocatalytic decoloration and mineralization of methyl orange solution. The results show that the pore volume and the specific surface area of the TiO 2 /CFA both increased with the increase in the loading percent of TiO 2 , which improved the photocatalytic activity of TiO 2 /CFA. However, when the loading percent of TiO 2 was too high (up to 54.51%), superfluous TiO 2 was easy to break away from CFA in the course of water treatment, which was disadvantaged to the recycling property of TiO 2 /CFA. In this study, the optimal loading percent of TiO 2 was 49.97%, and the efficiencies of photocatalytic decoloration and mineralization could be maintained above 99% and 90%, respectively, when the photocatalyst was used repeatedly, without any decline, even at the sixth cycle.

  19. Synthesis of hybrid cellulose nanocomposite bonded with dopamine SiO2/TiO2 and its antimicrobial activity

    Science.gov (United States)

    Ramesh, Sivalingam; Kim, Gwang-Hoon; Kim, Jaehwan; Kim, Joo-Hyung

    2015-04-01

    Organic-inorganic hybrid material based cellulose was synthesized by the sol-gel approach. The explosion of activity in this area in the past decade has made tremendous progress in industry or academic both fundamental understanding of sol-gel process and applications of new functionalized hybrid materials. In this present research work, we focused on cellulose-dopamine functionalized SiO2/TiO2 hybrid nanocomposite by sol-gel process. The cellulose-dopamine hybrid nanocomposite was synthesized via γ-aminopropyltriethoxysilane (γ-APTES) coupling agent by in-situ sol-gel process. The chemical structure of cellulose-amine functionalized dopamine bonding to cellulose structure with covalent cross linking hybrids was confirmed by FTIR spectral analysis. The morphological analysis of cellulose-dopamine nanoSiO2/TiO2 hybrid nanocomposite materials was characterized by XRD, SEM and TEM. From this different analysis results indicate that the optical transparency, thermal stability, control morphology of cellulose-dopamine-SiO2/TiO2 hybrid nanocomposite. Furthermore cellulose-dopamine-SiO2/TiO2 hybrid nanocomposite was tested against pathogenic bacteria for antimicrobial activity.

  20. Superhydrophilicity of TiO2 nano thin films

    International Nuclear Information System (INIS)

    Mohammadizadeh, M.R.; Ashkarran, A.A.

    2007-01-01

    Full text: Among the several oxide semiconductors, titanium dioxide has a more helpful role in our environmental purification due to its photocatalytic activity, photo-induced superhydrophilicity, and as a result of them non-toxicity, self cleaning, and antifogging effects. After the discovery of superhydrophilicity of titanium dioxide in 1997, several researches have been performed due to its nature and useful applications. The superhydrophilicity property of the surface allows water to spread completely across the surface rather than remains as droplets, thus making the surface antifog and easy-to-clean. The distinction of photo-induced catalytic and hydrophilicity properties of TiO 2 thin films has been accepted although, the origin of hydrophilicity property has not been recognized completely yet. TiO 2 thin films on soda lime glass were prepared by the sol-gel method and spin coating process. The calcination temperature was changed from 100 to 550 C. XRD patterns show increasing the content of polycrystalline anatase phase with increasing the calcination temperature. The AFM results indicate granular morphology of the films, which particle size changes from 22 to 166 nm by increasing the calcination temperature. The RBS, EDX and Raman spectroscopy of the films show the ratio of Ti:O∼0.5, and diffusion of sodium ions from substrate into the layer, by increasing the calcination temperature. The UV/Vis. spectroscopy of the films indicates a red shift by increasing the calcination temperature. The contact angle meter experiment shows that superhydrophilicity of the films depends on the formation of anatase crystal structure and diffused sodium content from substrate to the layer. The best hydrophilicity property was observed at 450 C calcination temperature, where the film is converted to a superhydrophilic surface after 10 minutes under 2mW/cm 2 UV irradiation. TiO 2 thin film on Si(111), Si(100), and quartz substrates needs less time to be converted to superhydrophilic surface rather than glass and polycrystalline Si substrates. Our results are consistent with the idea that UV-induced wetting of TiO 2 surface is caused by the removal of hydrophobic layers of hydrocarbons by TiO 2 -mediated photo-oxidation, which leads to the attractive interaction of water with clean TiO 2 surface. (authors)

  1. Dye-sensitized solar cells based on nanoparticle-decorated ZnO/TiO2 core/shell nanorod arrays

    International Nuclear Information System (INIS)

    Wang Meili; Huang Changgang; Cao Yongge; Deng Zhonghua; Liu Yuan; Huang Zhi; Huang Jiquan; Huang Qiufeng; Guo Wang; Liang Jingkui; Yu Qingjiang

    2009-01-01

    Nanoparticles (NPs) decorated ZnO/TiO 2 core/shell nanorod arrays were fabricated on transparent conductive glass substrates by sequential plasma deposition and post-annealing processes for dye-sensitized solar cells (DSSCs) applications. The NPs decorated ZnO/TiO 2 nanorods were composed of single-crystalline ZnO nanorods, homogeneously coated thin TiO 2 shells and entirely covered anatase TiO 2 NPs. The photocurrent density of the composite electrode was largely enhanced due to the enlarged surface area, the dark current was suppressed and the open-circuit voltage was increased because of the energy barrier formed at the interface between the ZnO core and the TiO 2 shell. The increased photocurrent and open-circuit voltage led to an improvement of twice the energy conversion efficiency.

  2. Photochemistry of 1,1,1-Trifluoroacetone on Rutile TiO2(110)

    International Nuclear Information System (INIS)

    Zehr, Robert T.; Deskins, N. Aaron; Henderson, Michael A.

    2010-01-01

    The ultraviolet (UV) photon-induced photodecomposition of 1,1,1-trifluoroacetone (TFA) adsorbed on the rutile TiO2(110) surface has been investigated with photon stimulated desorption (PSD), temperature programmed desorption (TPD) and density functional theory (DFT). TFA adsorbed molecularly on the reduced surface (8% oxygen vacancies) in states desorbing below 300 K with trace thermal decomposition observed in TPD. Adsorption of TFA on a preoxidized TiO2(110) surface (accomplished by pre-exposure with 20 L O2) led to formation of a new TFA desorption state at 350 K, assigned to decomposition of a TFA-diolate species ((CF3)(CH3)COO). No TFA photochemistry was detected on the reduced surface. UV irradiation of TFA on the oxidized surface depleted TFA in the 350 K state, with TFA molecules in other TPD states unaffected. PSD measurements reveal that both carbonyl substituents (CH3 and CF3), as well as CO, were liberated during UV exposure at 95 K. Post-irradiation TPD showed evidence for both acetate (evolving as ketene at 650 K) and trifluoroacetate (evolving as CO2 at 600 K) as surface-bound photodecomposition products. The CO PSD product was not due to adsorbed CO, to mass spectrometer cracking of a CO-containing PSD product, or from background effects, but originated from complete fragmentation of an unidentified adsorbed TFA species. Thermodynamic analysis using DFT indicated that the photodecomposition of the TFA-diolate was likely not driven by thermodynamics alone as both pathways (CH3+trifluoroacetate and CF3+acetate) were detected when thermodynamics shows a clear preference for only one (CF3+acetate). These observations are in contrast to the photochemical behavior of acetone, butanone and acetaldehyde on TiO2(110), where only one of the two carbonyl substituent groups was observed, with a stoichiometric amount of carboxylate containing the other substituent left on the surface. We conclude that fluorination significantly alters the electronic structure of

  3. Quantum chemical elucidation of the mechanism for hydrogenation of TiO2 anatase crystals

    Science.gov (United States)

    Raghunath, P.; Huang, W. F.; Lin, M. C.

    2013-04-01

    Hydrogenation of TiO2 is relevant to hydrogen storage and water splitting. We have carried out a detailed mechanistic study on TiO2 hydrogenation through H and/or H2 diffusion from the surface into subsurface layers of anatase TiO2 (101) by periodic density functional theory calculations implementing on-site Coulomb interactions (DFT + U). Both H atoms and H2 molecules can migrate from the crystal surface into TiO2 near subsurface layer with 27.8 and 46.2 kcal/mol energy barriers, respectively. The controlling step for the former process is the dissociative adsorption of H2 on the surface which requires 47.8 kcal/mol of energy barrier. Both hydrogen incorporation processes are expected to be equally favorable. The barrier energy for H2 migration from the first layer of the subsurface Osub1 to the 2nd layer of the subsurface oxygen Osub2 requires only 6.6 kcal. The presence of H atoms on the surface and inside the subsurface layer tends to promote both H and H2 penetration into the subsurface layer by reducing their energy barriers, as well as to prevent the escape of the H2 from the cage by increasing its escaping barrier energy. The H2 molecule inside a cage can readily dissociate and form 2HO-species exothermically (ΔH = -31.0 kcal/mol) with only 26.2 kcal/mol barrier. The 2HO-species within the cage may further transform into H2O with a 22.0 kcal/mol barrier and 19.3 kcal/mol exothermicity relative to the caged H2 molecule. H2O formation following the breaking of Ti-O bonds within the cage may result in the formation of O-vacancies and surface disordering as observed experimentally under a high pressure and moderately high temperature condition. According to density of states analysis, the projected density of states of the interstitial H, H2, and H2O appear prominently within the TiO2 band gap; in addition, the former induces a shift of the band gap position notably towards the conduction band. The thermochemistry for formation of the most stable sub

  4. The chemical bonds effect of anthocyanin and chlorophyll dyes on TiO2 for dye-sensitized solar cell (DSSC)

    Science.gov (United States)

    Ahliha, A. H.; Nurosyid, F.; Supriyanto, A.; Kusumaningsih, T.

    2017-11-01

    Anthocyanin and chlorophyll dyes have been blended as the photosensitizer of Dye-Sensitized Solar Cell (DSSC). The results study showed the effect of chemical bond dyes on TiO2 and the efficiency of DSSC. Ratio blend of the anthocyanin and chlorophyll dyes are 1:1. The absorbance of dyes and TiO2 were characterized using UV-Vis Spectrophotometer. The chemical bonds contained in TiO2-dyes were characterized using FT-IR spectrophotometer. The efficiency of DSSC was calculated using I-V meter. The absorption spectra of chlorophyll: anthocyanin blend dye solutions and TiO2 films can increase after the dye adsorption. Absorbance characterization of anthocyanin and chlorophyll dye blend solutions showed three peaks at the wavelength of 412 nm; 535.5 nm; and 656.5 nm. Absorbance characterization of spinach before being blend with anthocyanin dyes solutions showed two peaks at the wavelength of 431 nm and 665.5 nm. The absorption spectra of TiO2 films can increase after the dyes adsorption at the wavelength of 400 nm. FT-IR spectra of TiO2 founded the functional groups C-Br, C=C, and O-H. The functional groups founded in anthocyanin: chlorophyll dye blended on the surface of TiO2 are C-Br, C-O, O-H, C-H, C=C, C=O, and O-H. The result showed that the greatest efficiency of 0.0544% at dye red cabbage-spinach. Adsorption blends of anthocyanin and chlorophyll dyes on the surface of TiO2 can be used as the photosensitizer for DSSC.

  5. Effects of low pressure plasma treatments on DSSCs based on rutile TiO2 array photoanodes

    International Nuclear Information System (INIS)

    Wang, Weiqi; Chen, Jiazang; Luo, Jianqiang; Zhang, Yuzhi; Gao, Lian; Liu, Yangqiao; Sun, Jing

    2015-01-01

    Graphical abstract: - Highlights: • Plasma treatment effects on rutile nanorod arrays studied. • Dye adsorption amount increased by all plasma treatment. • Flat-band potential positively shifted after NP and OP treatments. • Cell performance improved by NP and OP treatments. - Abstract: In this paper, three types of low pressure plasma including hydrogen (HP), oxygen (OP) and nitrogen (NP) treatments have been utilized for the first time to improve DSSCs based on rutile TiO 2 array photoanodes. Their effects on the photoanodes and the cell performance have been systematically compared by characterizing the dye loading amount, flat-band potential, donor concentration, electron lifetime and the photovoltaic parameters. Experimental results show that all the three plasma treatments increase the dye loading owing to improved hydrophilicity or enhanced surface roughness. It is found that NP and OP treatments significantly increase the TiO 2 donor concentration and decrease trapping sites. By this way, the electron transport is enhanced and the electron recombination is effectively restrained. These comprehensive effects make NP and OP treatments beneficial for the overall performance, by which 13% and 5% increases in efficiency are achieved. However, HP treatment causes obvious reduction in the donor concentration and more severe electron recombination, which decreases the efficiency by about 15%

  6. Computational study of TiO2 Brookite (100), (010) and (210) surface doped with Ruthenium for application in Dye Sensitised Solar Cells

    Science.gov (United States)

    Dima, R. S.; Maluta, N. E.; Maphanga, R. R.; Sankaran, V.

    2017-10-01

    Titanium dioxide (TiO2) polymorphs are widely used in many energy-related applications due to their peculiar electronic and physicochemical properties. The electronic structures of brookite TiO2 surfaces doped with transition metal ruthenium have been investigated by ab initio band calculations based on the density functional theory with the planewave ultrasoft pseudopotential method. The generalized gradient approximation (GGA) was used in the scheme of Perdew-Burke-Ernzerhof (PBE) to describe the exchange-correlation functional. All calculations were carried out with CASTEP (Cambridge Sequential Total EnergyPackage) code in Materials Studio of Accelrys Inc. The surface structures of Ru doped TiO2 were constructed by cleaving the 1 × 1 × 1 optimized bulk structure of brookite TiO2. The results indicate that Ru doping can narrow the band gap of TiO2, leading to the improvement in the photoreactivity of TiO2, and simultaneously maintain strong redox potential. The theoretical calculations could provide meaningful guide to develop more active photocatalysts with visible light response.

  7. Synthesis and photocatalytic activity of Ce-doped TiO2 and TiO2 nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Arruda, L.B.; Pereira, E.A.; Paula, F.R.; Lisboa Filho, P.N. [Universidade Estadual Paulista Julio de Mesquita Filho (UNESP), SP (Brazil)

    2016-07-01

    Full text: One-dimensional nanostructures have been intensively studied, from the point of view of their synthesis and mechanisms of formation, as well as their applications in photonics, solar energy conversion, environmental and photocatalysis, since their properties due high surface area, electrical conductivity and light dispersion effects. Titanium dioxide (TiO2) nanoparticles have been demonstrated to be an effective multifunctional material especially when the particle size is less than 50 nm exhibit photoinduced activities that originate from the semiconductor band gap. TiO2 is semiconductor more used in photocatalysis, for this reason various properties have been thoroughly investigated in order to show that the photocatalytic activity and TiO2 reaction mechanism are influenced by structure, defects and impurities, surface morphology. and interfaces in addition to the concentration of dopants, such as rare-earth elements. Cerium ions, for example, vary between Ce4+ and Ce3 + oxidation state making the cerium oxide appear as CeO2 and Ce2O3 under oxidation and reduction conditions. These different electronic structures of Ce3+ (4f15d0) and Ce4+ (4f05d0) provide different catalytic and optical properties at the TiO2. In this work, samples of Ce-doped TiO2 and TiO2 were synthesized by alkali route, and its photocatalytic activity analyzed in order to create a relationship between the response obtained and the structure and morphology of each sample. Alkali route consists in submitting TiO2 (anatase) powder directly in medium of the NaOH (10M) and maintained at 120°C/20 hours by a glycerin bath with subsequent washed with water and HCl (0.1M) until reaching the desired pH. The synthesized samples were then studied by X-ray diffraction (XRD), transmission electron microscopy (TEM), and X-ray photoelectron spectroscopy (XPS). The photocatalytic decomposition of rhodamine B (Rh.B) it was performed under UV irradiation and visible light in air. For the obtained samples with pH 7, XRD measurements showed the coexistence of TiO2 and sodium titanate phase. By decreasing the pH during acid washing the sodium content was eliminated leaving only the main phase. This behavior was observed for samples containing Cerium concentrations up to 0.2%. The obtained nanotubes presented multiple walls, having dimensions of 5 nm of diameter and about 200 nm of length. Energy dispersive X-ray spectroscopy analyzes revealed that nanotubes are mainly composed of titanium and oxygen, with small amounts of sodium when pH is 7 and sodium no was observed for the sample obtained at pH 4. It shows that synthesis conditions are very important in order to obtain single-phase structures. In addition, TiO2 nanotubes showed good photocatalytic activity with degradation around 100 minutes.(author)

  8. Synthesis and photocatalytic activity of Ce-doped TiO2 and TiO2 nanotubes

    International Nuclear Information System (INIS)

    Arruda, L.B.; Pereira, E.A.; Paula, F.R.; Lisboa Filho, P.N.

    2016-01-01

    Full text: One-dimensional nanostructures have been intensively studied, from the point of view of their synthesis and mechanisms of formation, as well as their applications in photonics, solar energy conversion, environmental and photocatalysis, since their properties due high surface area, electrical conductivity and light dispersion effects. Titanium dioxide (TiO2) nanoparticles have been demonstrated to be an effective multifunctional material especially when the particle size is less than 50 nm exhibit photoinduced activities that originate from the semiconductor band gap. TiO2 is semiconductor more used in photocatalysis, for this reason various properties have been thoroughly investigated in order to show that the photocatalytic activity and TiO2 reaction mechanism are influenced by structure, defects and impurities, surface morphology. and interfaces in addition to the concentration of dopants, such as rare-earth elements. Cerium ions, for example, vary between Ce4+ and Ce3 + oxidation state making the cerium oxide appear as CeO2 and Ce2O3 under oxidation and reduction conditions. These different electronic structures of Ce3+ (4f15d0) and Ce4+ (4f05d0) provide different catalytic and optical properties at the TiO2. In this work, samples of Ce-doped TiO2 and TiO2 were synthesized by alkali route, and its photocatalytic activity analyzed in order to create a relationship between the response obtained and the structure and morphology of each sample. Alkali route consists in submitting TiO2 (anatase) powder directly in medium of the NaOH (10M) and maintained at 120°C/20 hours by a glycerin bath with subsequent washed with water and HCl (0.1M) until reaching the desired pH. The synthesized samples were then studied by X-ray diffraction (XRD), transmission electron microscopy (TEM), and X-ray photoelectron spectroscopy (XPS). The photocatalytic decomposition of rhodamine B (Rh.B) it was performed under UV irradiation and visible light in air. For the obtained samples with pH 7, XRD measurements showed the coexistence of TiO2 and sodium titanate phase. By decreasing the pH during acid washing the sodium content was eliminated leaving only the main phase. This behavior was observed for samples containing Cerium concentrations up to 0.2%. The obtained nanotubes presented multiple walls, having dimensions of 5 nm of diameter and about 200 nm of length. Energy dispersive X-ray spectroscopy analyzes revealed that nanotubes are mainly composed of titanium and oxygen, with small amounts of sodium when pH is 7 and sodium no was observed for the sample obtained at pH 4. It shows that synthesis conditions are very important in order to obtain single-phase structures. In addition, TiO2 nanotubes showed good photocatalytic activity with degradation around 100 minutes.(author)

  9. Photocorrosion Mechanism of TiO2-Coated Photoanodes

    Directory of Open Access Journals (Sweden)

    Arjen Didden

    2015-01-01

    Full Text Available Atomic layer deposition was used to coat CdS photoanodes with 7 nm thick TiO2 films to protect them from photocorrosion during photoelectrochemical water splitting. Photoelectrochemical measurements indicate that the TiO2 coating does not provide full protection against photocorrosion. The degradation of the film initiates from small pinholes and shows oscillatory behavior that can be explained by an Avrami-type model for photocorrosion that is halfway between 2D and 3D etching. XPS analysis of corroded films indicates that a thin layer of CdS remains present on the surface of the corroded photoanode that is more resilient towards photocorrosion.

  10. Application of TIO2 as A sorbent for radioactive waste

    International Nuclear Information System (INIS)

    Zamroni, H.; Las, T.; Kamarz, H.

    1997-01-01

    The sorption properties of the neodymium has been studied by using TiO 2 sorbent. The experiment was carried out by batch methods to investigate the kinetic sorption, effect of pH and effect of NaNO 3 concentration in the solution. Neodymium uses for a model of trivalent actinide treated by TiO 2 which was known as materials having high thermal and radiation stabilities as well as potentially used for immobilization of waste with cement or vitrification. the results show that the optimum of kinetic sorption was obtained after one day experiment to reach the equilibrium in sorption on pH 4, and the increasing of NaNO 3 concentrations will increase the sorption of neodymium in solution (author)

  11. Chemical dynamics of the first proton-coupled electron transfer of water oxidation on TiO2 anatase.

    Science.gov (United States)

    Chen, Jia; Li, Ye-Fei; Sit, Patrick; Selloni, Annabella

    2013-12-18

    Titanium dioxide (TiO2) is a prototype, water-splitting (photo)catalyst, but its performance is limited by the large overpotential for the oxygen evolution reaction (OER). We report here a first-principles density functional theory study of the chemical dynamics of the first proton-coupled electron transfer (PCET), which is considered responsible for the large OER overpotential on TiO2. We use a periodic model of the TiO2/water interface that includes a slab of anatase TiO2 and explicit water molecules, sample the solvent configurations by first principles molecular dynamics, and determine the energy profiles of the two electronic states involved in the electron transfer (ET) by hybrid functional calculations. Our results suggest that the first PCET is sequential, with the ET following the proton transfer. The ET occurs via an inner sphere process, which is facilitated by a state in which one electronic hole is shared by the two oxygen ions involved in the transfer.

  12. TiO2 and SiC nanostructured films, organized CNT structures

    Indian Academy of Sciences (India)

    sized nanostructured TiO2 films through hydrolysis of titanium tetra-isopropoxide. (TTIP) [9 ... structured TiO2 as a photocatalyst is as follows [15]:. TiO2(ns) ... The deposited films were easily detached from the silica tube and subjected to. SEM.

  13. Photocatalytic Water Treatment on TiO2 Thin Layers.

    Czech Academy of Sciences Publication Activity Database

    Šolcová, Olga; Spáčilová, L.; Maléterová, Ywetta; Morozová, Magdalena; Ezechiáš, Martin; Křesinová, Zdena

    2016-01-01

    Roč. 57, č. 25 (2016), s. 11631-11638 ISSN 1944-3994. [International Conference on Protection and Restoration of the Environment /12./. Skiathos Island, 29.06.2014-03.07.2014] R&D Projects: GA TA ČR TA01020804 Institutional support: RVO:67985858 ; RVO:61388971 Keywords : water purification * endocrine disruptor * photocatalytic * TiO2 layers Subject RIV: CI - Industrial Chemistry, Chemical Engineering; EE - Microbiology, Virology (MBU-M) Impact factor: 1.631, year: 2016

  14. TiO(2)-graphene nanocomposite as high performace photocatalysts

    Czech Academy of Sciences Publication Activity Database

    Štengl, Václav; Popelková, Daniela; Vláčil, P.

    2011-01-01

    Roč. 115, č. 51 (2011), s. 25209-25218 ISSN 1932-7447 R&D Projects: GA MPO(CZ) FI-IM3/061; GA MPO FI-IM5/239 Institutional research plan: CEZ:AV0Z40320502 Keywords : titanium-dioxide * visible-light * doped TiO2 * degradation * graphene * oxide Subject RIV: CA - Inorganic Chemistry Impact factor: 4.805, year: 2011

  15. Versatile preparation method for mesoporous TiO2 electrodes ...

    Indian Academy of Sciences (India)

    Unknown

    cyanate into CuI layer further enhanced the efficiency up to 2⋅75% under the irradiance .... an extremely easy way to dope films with virtually any .... to see the effect of ionic liquid on CuI, 1-ethyl-3-methyl- ... This analysis showed that TiO2 electrodes were polycrys- .... thin insulating layer of Al2O3 by using dip-coating meth-.

  16. Drug loading of nanoporous TiO2 films

    International Nuclear Information System (INIS)

    Ayon, Arturo A; Cantu, Michael; Chava, Kalpana; Agrawal, C Mauli; Feldman, Marc D; Johnson, Dave; Patel, Devang; Marton, Denes; Shi, Emily

    2006-01-01

    The loading of therapeutic amounts of drug on a nanoporous TiO 2 surface is described. This novel drug-loading scheme on a biocompatible surface, when employed on medical implants, will benefit patients who require the deployment of drug-eluting implants. Anticoagulants, analgesics and antibiotics can be considered on the associated implants for drug delivery during the time of maximal pain or risk for patients undergoing orthopedic procedures. Therefore, this scheme will maximize the chances of patient recovery. (communication)

  17. Lattice defects in rutile, TiO2

    International Nuclear Information System (INIS)

    Nakagawa, M.; Itoh, H.; Nakanishi, S.; Kondo, K.; Okada, M.; Atobe, K.

    1991-01-01

    Rutile, TiO 2 , having a relatively high melting point exhibits strong optical absorption after neutron irradiation (8 x 10 16 n f /cm 2 ) at 15K. The band peak is located near 0.96 μ, having a FWHM of 0.87 eV (at liquid nitrogen temperature). After inverse recovery at 120K, lattice defects due probably to F centers are annealed out at about 220K. (author)

  18. Pyrrole-regulated precipitation of titania nanorods on polymer fabrics for photocatalytic degradation of trace toluene in air

    Science.gov (United States)

    Gu, Yi-Jie; Wen, Wei; Xu, Yang; Wu, Jin-Ming

    2018-03-01

    When compared with nanoparticulate counterparts, TiO2 thin films with vertically aligned one-dimensional (1D) nanostructures exhibit enhanced photocatalytic activity because of the highly accessible surface area. The perpendicular of the 1D nanostructure reduces the charge migration path and hence the carrier recombination rate, which also contributes to the photocatalytic activity. Furthermore, TiO2 thin films on flexible substrates are more suitable to degrade pollutants in either water or air because of its easy recovery and free-bending shape. In this study, flexible polyethylene fabrics were firstly coated with a sol-gel nanoparticulate TiO2 seed layer. Quasi-aligned TiO2 nanorods were then precipitated homogeneously under an atmospheric pressure and a low temperature not exceeding 80 °C, using a peroxy-titanium complex precursor with the additive of pyrrole. It is found that the density of TiO2 nanorods increased with the increasing amount of pyrrole monomers. The resultant TiO2 film on polyethylene fabrics exhibited a much reduced band gap of ca. 2.86 eV, which can be attributed to the surface oxygen deficiencies. When utilized to assist photocatalytic degradation of trace toluene in air under the UV light illumination, the TiO2 film exhibited a gradually increased photocatalytic activity upon the increasing cycles for up to six, because of the gradual removal of trace organics on the TiO2 surface. The highest photocatalytic efficiency is recorded to be 5 times that of TiO2 nanotube arrays, which are regarded as an excellent photocatalyst for air cleaning.

  19. Microporous TiO2-WO3/TiO2 films with visible-light photocatalytic activity synthesized by micro arc oxidation and DC magnetron sputtering

    International Nuclear Information System (INIS)

    Wu, Kee-Rong; Hung, Chung-Hsuang; Yeh, Chung-Wei; Wu, Jiing-Kae

    2012-01-01

    Highlights: ► A simple MAO is used to prepare porous WO 3 /TiO 2 layer on Ti sheet as a visible-light enabled catalyst. ► The photocatalytic activity of the WO 3 /TiO 2 is enhanced by sputtering over an N,C-TiO 2 layer. ► This is ascribed to the synergetic effect of hybrid sample prepared by two-step method. - Abstract: This study reports the preparation of microporous TiO 2 -WO 3 /TiO 2 films with a high surface area using a two-step approach. A porous WO 3 /TiO 2 template was synthesized by oxidizing a titanium sheet using a micro arc oxidation (MAO) process. This sheet was subsequently overlaid with a visible light (Vis)-enabled TiO 2 (N,C-TiO 2 ) film, which was deposited by codoping nitrogen (N) and carbon (C) ions into a TiO 2 lattice using direct current magnetron sputtering. The resulting microporous TiO 2 -WO 3 /TiO 2 film with a 0.38-μm-thick N,C-TiO 2 top-layer exhibited high photocatalytic activity in methylene blue (MB) degradation among samples under ultraviolet (UV) and Vis irradiation. This is attributable to the synergetic effect of two-step preparation method, which provides a highly porous microstructure and the well-crystallized N,C-TiO 2 top-layer. This is because a higher surface area with high crystallinity favors the adsorption of more MB molecules and more photocatalytic active areas. Thus, the microporous TiO 2 -WO 3 /TiO 2 film has promising applications in the photocatalytic degradation of dye solution under UV and Vis irradiation. These results imply that the microporous WO 3 /TiO 2 can be used as a template of hybrid electrode because it enables rapid fabrication.

  20. Sensing and electrical properties of TiO2 nanoparticles

    International Nuclear Information System (INIS)

    Usman, M.

    2011-01-01

    The purpose of this work was to synthesize TiO 2 nanoparticles using Coprecipitation method. 2 different samples were synthesized, one with a modifier and other without using a modifier. After synthesis, newly formed nanoparticles were characterized b different techniques to find various properties of these nanoparticles. Scanning electron Microscopy (SEM) was used to study structure and morphology of Cu nanoparticles and for compositional analysis Energy dispersive spectroscopy (EDS) was used. X-Ray Diffraction (XRD) Studies were also carried out to find phase an average particle Size. To find the band gap of our nanoparticles, UV-Visible Spectroscopy was also done. Non-Modified nanoparticles were as small as 12nm reported by SEM images which were synthesized using a modifier were as small as 10nm. Modified TiO 2 nanoparticles were used in humidity sensing devices and it properties as a humidity sensor were examined by doing Impedance spectroscopy, D measurements and Dielectric measurements. Our TiO 2 humidity sensor showed sensitivity for humidity at low and mid-range frequencies while its response time was 4 seconds when we changed RH% to 90 from 40% and measured the impedance. (author)

  1. Incorporation of chromium into TiO2 nanopowders

    International Nuclear Information System (INIS)

    Kollbek, Kamila; Sikora, Marcin; Kapusta, Czesław; Szlachetko, Jakub; Radecka, Marta; Lyson-Sypien, Barbara; Zakrzewska, Katarzyna

    2015-01-01

    Highlights: • Nanopowders of TiO 2 :Cr with different amount of Cr dopant were obtained by flame spray synthesis, FSS. • Increase in the optical absorption and a shift of the absorption edge were observed upon Cr doping. • HERFD-XANES measurements indicated that the average valence state of titanium ions was preserved. • Increasing magnetic susceptibility of a paramagnetic character was observed upon Cr doping. - Abstract: The paper reports on the results of a study of optical, electronic and magnetic properties of TiO 2 nanopowders doped with Cr ions. Diffused reflectance spectra reveal an increase in the optical absorption and a shift of the absorption edge towards lower energies upon Cr doping. Direct information on the Ti electronic state and the symmetry of its nearest environment is obtained from XANES Ti K-edge spectra. Magnetic behaviour is probed by means of the temperature dependence of DC magnetic susceptibility. Increasing magnetic susceptibility of a paramagnetic character is observed upon increasing chromium doping. The Curie constant of TiO 2 :10 at.% Cr sample (0.12 emu K/mol Oe) is lower than that expected for Cr 3+ (0.1875 emu K/mol Oe) possibly due to the appearance of Cr 4+ or the presence of the orbital contribution to the magnetic moment

  2. Crystal growth and design of a facile synthesized uniform single crystalline football-like anatase TiO2 microspheres with exposed {0 0 1} facets

    International Nuclear Information System (INIS)

    Liu, Bitao; Jin, Chunhua; Ju, Yue; Peng, Lingling; Tian, Liangliang; Wang, Jinbiao; Zhang, Tiejun

    2014-01-01

    Graphical abstract: - Highlights: • Football-like TiO 2 synthesized by a facile hydrothermal method. • The formation mechanism of football-like TiO 2 was investigated. • The DSSC efficiency assembled by football-like TiO 2 is 23.3% higher than P25. - Abstract: Uniform football-like anatase TiO 2 particles exposed by {0 0 1} facets were successfully synthesized by an environment-friendly, facile and low-temperature hydrothermal method in water solution without any additional capping agent. The crystallographic structure and the growth mechanism of anatase TiO 2 particles were investigated systematically by X-ray diffraction pattern (XRD), field emission scanning electron microscopy (SEM), transmission electron microscopy (TEM) and X-ray photoelectron spectra (XPS), respectively. The formation mechanism of football-like anatase TiO 2 particles exposed by {0 0 1} facets is investigated. It was found that there existed a selective adsorption of F − ions on different facets by analyzed with the density functional theory (DFT) computer simulation results, and it would lead to a selective nucleation and crystal growth of anatase football-like TiO 2 particles. Additionally, this type of exposed {0 0 1} facets football-like TiO 2 microspheres were used as a scattering overlayer on a transparent P25 film for fabrication of photoanodes for dye-sensitized solar cells (DSSCs). The results showed that an overall light conversion efficiency of this film was 6.31%, which is higher than that of the overall efficiency (5.13%) obtained from the P25 photoanode owing to the superior light scattering effect of microspheres and excellent light reflecting ability of the mirror-like plane {0 0 1} facets

  3. Alkaline hydrogen peroxide treatment for TiO_2 nanoparticles with superior water-dispersibility and visible-light photocatalytic activity

    International Nuclear Information System (INIS)

    Wu, Chung-Yi; Tu, Kuan-Ju; Lo, Yu-Shiu; Pang, Yean Ling; Wu, Chien-Hou

    2016-01-01

    Alkaline hydrogen peroxide treatment was proposed as a simple and green way to improve the performance of commercial TiO_2 powder for water-dispersibility and visible-light photocatalytic activity on the degradation of dye pollutants. The performance of treated TiO_2 was evaluated as a function of NaOH concentration, H_2O_2 concentration, and treatment time. The optimal conditions were determined to be 24 h in 100 mM H_2O_2 and 8 M NaOH. The treated samples were characterized by Raman spectroscopy, high-resolution transmission electron microscopy (HR-TEM), X-ray photoelectron spectroscopy (XPS), dynamic light scattering (DLS), Fourier transform infrared spectroscopy (FTIR), and ultraviolet–visible spectrophotometry. The analysis revealed that the crystal structure, morphology, and absorption band gap were retained, but the surface of the treated TiO_2 was dramatically changed. The treated TiO_2 was highly dispersible with a uniform hydrodynamic size of 41 ± 12 nm and stable over months in water at pH 3 without any stabilizing ligand and could significantly enhance the visible-light photodegradation of dye pollutants. The superior performance might be attributed to the formation of abundant surface hydroxyl groups. This treatment paves the way for developing water-dispersible TiO_2 with superior visible-light induced photocatalytic degradation of dye pollutants without any complicated and expensive surface modification. - Highlights: • Alkaline hydrogen peroxide is proposed to treat commercial TiO_2 powder. • The treated TiO_2 powder exhibits superior water-dispersibility with a uniform size distribution. • The treated TiO_2 powder can significantly enhance the visible-light photodegradation of dyes.

  4. Sol-gel synthesis of TiO2 nanoparticles and photocatalytic degradation of methyl orange in aqueous TiO2 suspensions

    International Nuclear Information System (INIS)

    Yang Huaming; Zhang Ke; Shi Rongrong; Li Xianwei; Dong Xiaodan; Yu Yongmei

    2006-01-01

    Anatase TiO 2 nanoparticles of about 16 nm in crystal size have been successfully synthesized via a sol-gel method. Thermal treatment of the precursor at 500-600 deg. C results in the formation of different TiO 2 phase compositions. The samples were characterized by means of X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and transmission electron microscopy (TEM). Effects of the pH value of the solution, H 2 O 2 addition, TiO 2 phase composition and recycled TiO 2 on the photocatalytic degradation of methyl orange (MeO) in TiO 2 suspensions under ultraviolet (UV) illumination were primarily investigated. The results indicate that a low pH value, proper amount of H 2 O 2 and pure anatase TiO 2 will facilitate the photocatalytic oxidation of the MeO solution. The photodegradation degree decreases with increasing the pH value of the solution and varies with different amounts of H 2 O 2 . Pure anatase TiO 2 shows better photocatalytic activity for MeO decolorization than biphase TiO 2 . The photocatalytic mechanism of the as-synthesized TiO 2 nanoparticles was discussed

  5. OXIDACIÓN DE p -NITROFENOL USANDO TiO 2 -ADENOSINA MONOFOSFATO I OXIDATION OF p -NITROPHENOL USING TiO 2 -ADENOSIN MONOPHOSPHATE

    Directory of Open Access Journals (Sweden)

    Carlos F. Rivas

    2018-04-01

    Full Text Available The surface of TiO2 was modified with the nucleotides adenosine 3’-monophosphate (AMP’3 and Adenosine 5’-monophosphate (AMP’5. The adsorption of nucleotides was adjusted to Langmuir ́s adsorption model, determining that the optimal condition for TiO 2 modification was at neutral pH. UV-Visible Diffuse Reflectance and IR Attenuated Total Reflectance spectra show that the chemisorption of nucleotides take placed on TiO 2 anatase. The new catalysts (TiO 2 -nucleotide improved the photodegradation of p -nitrophenol in a wide range of pH as compared with the titanium dioxide precursor. Most photoactivity was generated by using the new photocatalytic in the degradation of p -nitrophenol at pH = 6, obtaining high values for the pseudo first order kinetic constant (0.0254 min -1 and 0.0244 min -1 for TiO 2 -AMP’3 and TiO 2 -AMP’5, respectively. For all pH, the trend obtained for the photodegradation was: TiO 2 -AMP ́3 @ TiO 2 -AMP’5 > TiO 2 . Langmuir-Hinshelwood kinetics shows that the contribution of the surface reac tion rate governs the oxidation of the contaminant.

  6. NeutrAvidin Functionalization of CdSe/CdS Quantum Nanorods and Quantification of Biotin Binding Sites using Biotin-4-Fluorescein Fluorescence Quenching

    OpenAIRE

    Lippert, Lisa G.; Hallock, Jeffrey T.; Dadosh, Tali; Diroll, Benjamin T.; Murray, Christopher B.; Goldman, Yale E.

    2016-01-01

    We developed methods to solubilize, coat, and functionalize with NeutrAvidin elongated semiconductor nanocrystals (quantum nanorods, QRs) for use in single molecule polarized fluorescence microscopy. Three different ligands were compared with regard to efficacy for attaching NeutrAvidin using the “zero-length cross-linker” 1-ethyl-3-[3-(dimethylamino)propyl]-carbodiimide (EDC). Biotin-4-fluorescene (B4F), a fluorophore that is quenched when bound to avidin proteins, was used to quantify bioti...

  7. Photocatalytic effects for the TiO2-coated phosphor materials

    International Nuclear Information System (INIS)

    Yoon, Jin-Ho; Jung, Sang-Chul; Kim, Jung-Sik

    2011-01-01

    Research highlights: → The photocatalytic behavior of the coupling of TiO 2 with phosphorescent materials. → The photobleaching of an MB aqueous solution under visible light irradiation. → The ALD TiO 2 -coated phosphor composite showed much higher photocatalytic reactivity. → The light emitted from the phosphors contributed to the photo-generation. - Abstract: This study investigated the photocatalytic behavior of the coupling of TiO 2 with phosphorescent materials. A TiO 2 thin film was deposited on CaAl 2 O 4 :Eu 2+ ,Nd 3+ phosphor particles by using atomic layer deposition (ALD), and its photocatalytic reaction was investigated by the photobleaching of an aqueous solution of methylene-blue (MB) under visible light irradiation. To clarify the mechanism of the TiO 2 -phosphorescent materials, two different samples of TiO 2 -coated phosphor and TiO 2 -Al 2 O 3 -coated phosphor particles were prepared. The photocatalytic mechanisms of the ALD TiO 2 -coated phosphor powders were different from those of the pure TiO 2 and TiO 2 -Al 2 O 3 -coated phosphor. The absorbance in a solution of the ALD TiO 2 -coated phosphor decreased much faster than that of pure TiO 2 under visible irradiation. In addition, the ALD TiO 2 -coated phosphor showed moderately higher photocatalytic degradation of MB solution than the TiO 2 -Al 2 O 3 -coated phosphor did. The TiO 2 -coated phosphorescent materials were characterized by transmission electron microscopy (TEM), Auger electron spectroscopy (AES) and X-ray photon spectroscopy (XPS).

  8. Effect of the LHCII pigment-protein complex aggregation on photovoltaic properties of sensitized TiO2 solar cells.

    Science.gov (United States)

    Yang, Yiqun; Jankowiak, Ryszard; Lin, Chen; Pawlak, Krzysztof; Reus, Michael; Holzwarth, Alfred R; Li, Jun

    2014-10-14

    A modified dye-sensitized solar cell consisting of a thin TiO2 barrier layer sensitized with natural trimeric light-harvesting complex II (LHCII) from spinach was used as a biomimetic model to study the effects of LHCII aggregation on the photovoltaic properties. The aggregation of individual trimers induced molecular reorganization, which dramatically increased the photocurrent. The morphology of small- and large-size LHCII aggregates deposited on a surface was confirmed by atomic force microscopy. Enhanced LHCII immobilization was accomplished via electrostatic interaction with amine-functionalized photoanodes. The photocurrent responses of the assembled solar cells under illumination at three characteristic wavelength bands in the UV-Vis absorption spectra of LHCII solutions confirmed that a significant photocurrent was generated by LHCII photosensitizers. The enhanced photocurrent by large aggregated LHCII is shown to correlate with the quenching in the far-red fluorescence deriving from chlorophyll-chlorophyll charge transfer states that are effectively coupled with the TiO2 surface and thus inject electrons into the TiO2 conduction band. The large aggregated LHCII with more chlorophyll-chlorophyll charge transfer states is a much better sensitizer since it injects electrons more efficiently into the conduction band of TiO2 than the small aggregated LHCII mostly consisting of unquenched chlorophyll excited state. The assembled solar cells demonstrated remarkable stability in both aqueous buffer and acetonitrile electrolytes over 30 days.

  9. Synthesis of nanostructured TiO2 (anatase) and TiO2(B) in ionic liquids

    Czech Academy of Sciences Publication Activity Database

    Mansfeldová, Věra; Lásková, Barbora; Krýsová, Hana; Zukalová, Markéta; Kavan, Ladislav

    2014-01-01

    Roč. 230, JUL 2014 (2014), s. 85-90 ISSN 0920-5861 R&D Projects: GA ČR GA13-07724S; GA MŠk 7E09117 Grant - others:European Commission(XE) NMP-229036 Institutional support: RVO:61388955 Keywords : TiO2(B) * ionic liquid * electrochemistry Subject RIV: CG - Electrochemistry Impact factor: 3.893, year: 2014

  10. Volume versus surface-mediated recombination in anatase TiO2 nanoparticles

    Science.gov (United States)

    Cavigli, Lucia; Bogani, Franco; Vinattieri, Anna; Faso, Valentina; Baldi, Giovanni

    2009-09-01

    We present an experimental study of the radiative recombination dynamics in size-controlled anatase TiO2 nanoparticles in the range 20-130 nm. From time-integrated photoluminescence spectra and picosecond time-resolved experiments as a function of the nanoparticle size, excitation density, and temperature, we show that photoluminescence comes out from a bulk and a surface radiative recombination. The spectral shift and the different time dynamics provide a clear distinction between them. Moreover, the intrinsic nature of the emission is also proven, providing a quantitative evaluation of volume and surface contributions.

  11. Phase transformation synthesis of TiO2/CdS heterojunction film with high visible-light photoelectrochemical activity

    Science.gov (United States)

    Liu, Canjun; Yang, Yahui; Li, Jie; Chen, Shu

    2018-06-01

    CdS/TiO2 heterojunction film used as a photoanode has attracted much attention in the past few years due to its good visible light photocatalytic activity. However, CdS/TiO2 films prepared by conventional methods (successive ionic layer adsorption and reaction, chemical bath deposition and electrodeposition) show numerous grain boundaries in the CdS layer and an imperfect contact at the heterojunction interface. In this study, we designed a phase transformation method to fabricate CdS/TiO2 nanorod heterojunction films. The characterization results showed that the CdS layer with fewer grain boundaries was conformally coated on the TiO2 nanorod surface and the formation mechanism has been explained in this manuscript. Moreover, the prepared CdS/TiO2 films show a high photocatalytic activity and the photocurrent density is as high as 9.65 mA cm‑2 at 0.80 V versus RHE. It may be attributed to fewer grain boundaries and a compact heterojunction contact, which can effectively improve charge separation and transportation.

  12. Low-temperature processed ultrathin TiO2 for efficient planar heterojunction perovskite solar cells

    International Nuclear Information System (INIS)

    Huang, Xiaokun; Hu, Ziyang; Xu, Jie; Wang, Peng; Zhang, Jing; Zhu, Yuejin

    2017-01-01

    Highlights: • An ultrathin and discrete TiO 2 (u-TiO 2 ) was fabricated at low temperature. • High-performance perovskite solar cells based u-TiO 2 was realized. • u-TiO 2 between perovskite and FTO functions as a bridge for electron transport. • u-TiO 2 accelerates electron transfer and alleviates charge recombination. - Abstract: A compact TiO 2 (c-TiO 2 ) layer fabricated by spin coating or spray pyrolysis following a high-temperature sintering is a routine in high-performance planar heterojunction perovskite solar cells. Here, we demonstrate an effective low-temperature approach to fabricate an ultrathin and discrete TiO 2 (u-TiO 2 ) for enhancing photovoltaic performance of perovskite solar cells. Via hydrolysis of low-concentration TiCl 4 solution at 70 °C, u-TiO 2 was grown on a fluorine doped tin oxide (FTO) substrate, forming the electron selective contact with the photoactive CH 3 NH 3 PbI 3 film. The perovskite solar cell using u-TiO 2 achieves an efficiency of 13.42%, which is compared to 13.56% of the device using c-TiO 2 prepared by high-temperature sintering. Cyclic voltammetry, steady-state photoluminescence spectroscopy and electrical impedance spectroscopy were conducted to study interface engineering and charge carrier dynamics. Our results suggest that u-TiO 2 functions as a bridge for electron transport between perovskite and FTO, which accelerates electron transfer and alleviates charge recombination.

  13. High pressure structural phase transitions of TiO2 nanomaterials

    International Nuclear Information System (INIS)

    Li Quan-Jun; Liu Bing-Bing

    2016-01-01

    Recently, the high pressure study on the TiO 2 nanomaterials has attracted considerable attention due to the typical crystal structure and the fascinating properties of TiO 2 with nanoscale sizes. In this paper, we briefly review the recent progress in the high pressure phase transitions of TiO 2 nanomaterials. We discuss the size effects and morphology effects on the high pressure phase transitions of TiO 2 nanomaterials with different particle sizes, morphologies, and microstructures. Several typical pressure-induced structural phase transitions in TiO 2 nanomaterials are presented, including size-dependent phase transition selectivity in nanoparticles, morphology-tuned phase transition in nanowires, nanosheets, and nanoporous materials, and pressure-induced amorphization (PIA) and polyamorphism in ultrafine nanoparticles and TiO 2 -B nanoribbons. Various TiO 2 nanostructural materials with high pressure structures are prepared successfully by high pressure treatment of the corresponding crystal nanomaterials, such as amorphous TiO 2 nanoribbons, α -PbO 2 -type TiO 2 nanowires, nanosheets, and nanoporous materials. These studies suggest that the high pressure phase transitions of TiO 2 nanomaterials depend on the nanosize, morphology, interface energy, and microstructure. The diversity of high pressure behaviors of TiO 2 nanomaterials provides a new insight into the properties of nanomaterials, and paves a way for preparing new nanomaterials with novel high pressure structures and properties for various applications. (topical review)

  14. Improving the photovoltaic performance of the all-solid-state TiO2 NR/CuInS2 solar cell by hydrogen plasma treatment

    Science.gov (United States)

    Chen, Bingfeng; Niu, Wenzhe; Lou, Zirui; Ye, Zhizhen; Zhu, Liping

    2018-07-01

    The interfacial properties of the heterojunction between p-type and n-type materials play an important role in the performance of the solar cell. In this paper, a p-type CuInS2 film was deposited on TiO2 nanorod arrays by spin coating to fabricate an all-solid-state solar cell and the TiO2 nanorod arrays were treated with hydrogen plasma(H:TiO2) to ameliorate the interfacial properties. The influence of the hydrogen plasma treatment on the performance of the solar cell was investigated. The short-circuit current density was obviously raised and the power conversion efficiency of the solar cell improved to 0.30%, which is three times that of solar cells without hydrogen plasma treatment. The enhancement of the performance is attributed to not only the enhancement of carrier separation and transport, but the reduction of the recombination of electrons and holes, which is caused by hydrogen plasma treatment.

  15. Improving the photovoltaic performance of the all-solid-state TiO2 NR/CuInS2 solar cell by hydrogen plasma treatment.

    Science.gov (United States)

    Chen, Bingfeng; Niu, Wenzhe; Lou, Zirui; Ye, Zhizhen; Zhu, Liping

    2018-07-06

    The interfacial properties of the heterojunction between p-type and n-type materials play an important role in the performance of the solar cell. In this paper, a p-type CuInS 2 film was deposited on TiO 2 nanorod arrays by spin coating to fabricate an all-solid-state solar cell and the TiO 2 nanorod arrays were treated with hydrogen plasma(H:TiO 2 ) to ameliorate the interfacial properties. The influence of the hydrogen plasma treatment on the performance of the solar cell was investigated. The short-circuit current density was obviously raised and the power conversion efficiency of the solar cell improved to 0.30%, which is three times that of solar cells without hydrogen plasma treatment. The enhancement of the performance is attributed to not only the enhancement of carrier separation and transport, but the reduction of the recombination of electrons and holes, which is caused by hydrogen plasma treatment.

  16. Low temperature fabrication of perovskite solar cells with TiO2 nanoparticle layers

    International Nuclear Information System (INIS)

    Kanayama, Masato; Oku, Takeo; Suzuki, Atsushi; Yamada, Masahiro; Sakamoto, Hiroki; Minami, Satoshi; Kohno, Kazufumi

    2016-01-01

    TiO 2 /CH 3 NH 3 PbI 3 -based photovoltaic devices were fabricated by a spin-coating method using a mixture solution. TiO 2 require high-temperature processing to achieve suitably high carrier mobility. TiO 2 electron transport layers and TiO 2 scaffold layers for the perovskite were fabricated from TiO 2 nanoparticles with different grain sizes. The photovoltaic properties and microstructures of solar cells were characterized. Nanoparticle sizes of these TiO 2 were 23 nm and 3 nm and the performance of solar cells was improved by combination of two TiO 2 nanoparticles

  17. Photocatalytic decouloration of malachite green dye by application of TiO2 nanotubes

    International Nuclear Information System (INIS)

    Prado, Alexandre G.S.; Costa, Leonardo L.

    2009-01-01

    The nanotubes of titania were synthesized in a hydrothermal system and characterized by scanning electronic microscopy (SEM), FT-IR, FT-Raman, and surface charge density by surface area analyzer. These nanomaterials were applied to photocatalyse malachite green dye degradation. Photodegradation capacity of TiO 2 nanotubes was compared to TiO 2 anatase photoactivity. Malachite dye was completely degraded in 75 and 105 min of reaction photocatalysed by TiO 2 nanotubes and TiO 2 anatase, respectively. Catalysts displayed high photodegradation activity at pH 4. TiO 2 nanotubes were easily recycled whereas the reuse of TiO 2 anatase was not effective. Nanotubes maintained 80% of their activity after 10 catalytic cycles and TiO 2 anatase presented only 8% of its activity after 10 cycles.

  18. Composition of Surface Adsorbed Layer of TiO2 Stored in Ambient Air

    Directory of Open Access Journals (Sweden)

    Zakharenko V.S.

    2017-11-01

    Full Text Available The processes of dark, UV, and visible light promoted desorption of surface species were investigated for three different TiO2 samples: TiO2 prepared by dispersion of the titania single crystal, TiO2 prepared by combustion of a pyrotechnic mixture in air, and commercial TiO2 P25. The composition of the adsorbed layer was identified in the dark and under UV and visible light irradiation. The composition of desorption products showed the dependence of the adsorption layer state on the TiO2 nature. Methane photodesorption was detected only for the commercial TiO2 P25. Possible reasons for methane emission include the capturing of complete molecules during the TiO2 production process and photocatalytic hydrogenation of CO2 under UV-light.

  19. Study of TiO2 nanotubes as an implant application

    International Nuclear Information System (INIS)

    Hazan, Roshasnorlyza; Sreekantan, Srimala; Mydin, Rabiatul Basria S. M. N.; Mat, Ishak; Abdullah, Yusof

    2016-01-01

    Vertically aligned TiO 2 nanotubes have become the primary candidates for implant materials that can provide direct control of cell behaviors. In this work, 65 nm inner diameters of TiO 2 nanotubes were successfully prepared by anodization method. The interaction of bone marrow stromal cells (BMSC) in term of cell adhesion and cell morphology on bare titanium and TiO 2 nanotubes is reported. Field emission scanning electron microscopy (FESEM) analysis proved interaction of BMSC on TiO 2 nanotubes structure was better than flat titanium (Ti) surface. Also, significant cell adhesion on TiO 2 nanotubes surface during in vitro study revealed that BMSC prone to attach on TiO 2 nanotubes. From the result, it can be conclude that TiO 2 nanotubes are biocompatible to biological environment and become a new generation for advanced implant materials

  20. N-doped hollow urchin-like anatase TiO2@C composite as a novel anode for Li-ion batteries

    Science.gov (United States)

    Xing, Yalan; Wang, Shengbin; Fang, Baizeng; Song, Ge; Wilkinson, David P.; Zhang, Shichao

    2018-05-01

    N-doped hollow urchin-like anatase TiO2 spheres (HUTSs) with carbon coating (HUTS@C) are prepared through a facile and scalable hydrothermal reaction followed by coating of polypyrrole and carbonization. The HUTS is composed of radially grown anatase nanorods and possesses an enhanced percentage of exposed {001} facets compared with P25 TiO2 nanoparticles. After the carbon coating, the HUTS@C retains the hollow nanostructure although covered with an N-doped carbon layer. As an anode for Li-ion batteries, the HUTS@C delivers a higher capacity of 165.1 mAh g-1 at 1C after 200 cycles and better rate capability (111.7 mAh g-1 at 10C) than the HUTS. Further electrochemical studies reveal that the HUTS@C has a better electrochemical reversibility, lower charge-transfer resistance, and higher Li-ion diffusion coefficient due to its unique nanosctructure including the hollow core, anatase phase of TiO2 microspheres with high exposed {001} facets and the N-doped carbon layer, which facilitates mass transport and enhances electrical conductivity.

  1. The preparation, surface structure, zeta potential, surface charge density and photocatalytic activity of TiO2 nanostructures of different shapes

    International Nuclear Information System (INIS)

    Grover, Inderpreet Singh; Singh, Satnam; Pal, Bonamali

    2013-01-01

    Titania based nanocatalysts such as sodium titanates of different morphology having superior surface properties are getting wide importance in photocatalysis research. Despite having sodium (Na) contents and its high temperature synthesis (that generally deteriorate the photoreactivity), these Na-titanates often exhibit better photoactivity than P25-TiO 2 catalyst. Hence, this work demonstrated the influence of crystal structure, BET surface area, surface charge, zeta potential (ζ) and metal loading on the photocatalytic activity of as-prepared sodium titanate nanotube (TNT) and titania nanorod (TNR). Straw like hollow orthorhombic-TNT (Na 2 Ti 2 O 5 ·H 2 O) particles (W = 9–12 nm and L = 82–115 nm) and rice like pure anatase-TNR particles (W = 8–13 nm and L = 81–134 nm) are obtained by the hydrothermal treatment of P25-TiO 2 with NaOH, which in fact, altered the net surface charge of TNT and TNR particles. The observed ζ = −2.82 (P25-TiO 2 ), −13.5 (TNT) and −22.5 mV (TNR) are significantly altered by the Ag and Cu deposition. It has been found here that TNT displayed best photocatalytic activity for the imidacloprid insecticide (C 9 H 10 ClN 5 O 2 ) degradation to CO 2 formation under UV irradiation because of its largest surface area 176 m 2 g −1 among the catalysts studied.

  2. The preparation, surface structure, zeta potential, surface charge density and photocatalytic activity of TiO2 nanostructures of different shapes

    Science.gov (United States)

    Grover, Inderpreet Singh; Singh, Satnam; Pal, Bonamali

    2013-09-01

    Titania based nanocatalysts such as sodium titanates of different morphology having superior surface properties are getting wide importance in photocatalysis research. Despite having sodium (Na) contents and its high temperature synthesis (that generally deteriorate the photoreactivity), these Na-titanates often exhibit better photoactivity than P25-TiO2 catalyst. Hence, this work demonstrated the influence of crystal structure, BET surface area, surface charge, zeta potential (ζ) and metal loading on the photocatalytic activity of as-prepared sodium titanate nanotube (TNT) and titania nanorod (TNR). Straw like hollow orthorhombic-TNT (Na2Ti2O5·H2O) particles (W = 9-12 nm and L = 82-115 nm) and rice like pure anatase-TNR particles (W = 8-13 nm and L = 81-134 nm) are obtained by the hydrothermal treatment of P25-TiO2 with NaOH, which in fact, altered the net surface charge of TNT and TNR particles. The observed ζ = -2.82 (P25-TiO2), -13.5 (TNT) and -22.5 mV (TNR) are significantly altered by the Ag and Cu deposition. It has been found here that TNT displayed best photocatalytic activity for the imidacloprid insecticide (C9H10ClN5O2) degradation to CO2 formation under UV irradiation because of its largest surface area 176 m2 g-1 among the catalysts studied.

  3. Quasiparticle interfacial level alignment of highly hybridized frontier levels: H2O on TiO2(110).

    Science.gov (United States)

    Migani, Annapaola; Mowbray, Duncan J; Zhao, Jin; Petek, Hrvoje

    2015-01-13

    Knowledge of the frontier levels' alignment prior to photoirradiation is necessary to achieve a complete quantitative description of H2O photocatalysis on TiO2(110). Although H2O on rutile TiO2(110) has been thoroughly studied both experimentally and theoretically, a quantitative value for the energy of the highest H2O occupied levels is still lacking. For experiment, this is due to the H2O levels being obscured by hybridization with TiO2(110) levels in the difference spectra obtained via ultraviolet photoemission spectroscopy (UPS). For theory, this is due to inherent difficulties in properly describing many-body effects at the H2O-TiO2(110) interface. Using the projected density of states (DOS) from state-of-the-art quasiparticle (QP) G0W0, we disentangle the adsorbate and surface contributions to the complex UPS spectra of H2O on TiO2(110). We perform this separation as a function of H2O coverage and dissociation on stoichiometric and reduced surfaces. Due to hybridization with the TiO2(110) surface, the H2O 3a1 and 1b1 levels are broadened into several peaks between 5 and 1 eV below the TiO2(110) valence band maximum (VBM). These peaks have both intermolecular and interfacial bonding and antibonding character. We find the highest occupied levels of H2O adsorbed intact and dissociated on stoichiometric TiO2(110) are 1.1 and 0.9 eV below the VBM. We also find a similar energy of 1.1 eV for the highest occupied levels of H2O when adsorbed dissociatively on a bridging O vacancy of the reduced surface. In both cases, these energies are significantly higher (by 0.6 to 2.6 eV) than those estimated from UPS difference spectra, which are inconclusive in this energy region. Finally, we apply self-consistent QPGW (scQPGW1) to obtain the ionization potential of the H2O-TiO2(110) interface.

  4. Optical Properties and Surface Morphology of Nano-composite PMMA: TiO2 Thin Films

    International Nuclear Information System (INIS)

    Lyly Nyl Ismail; Ahmad Fairoz Aziz; Habibah Zulkefle

    2011-01-01

    There are two nano-composite PMMA: TiO 2 solutions were prepared in this research. First solution is nano-composite PMMA commercially available TiO 2 nanopowder and the second solution is nano-composite PMMA with self-prepared TiO 2 powder. The self-prepared TiO 2 powder is obtained by preparing the TiO 2 sol-gel. Solvo thermal method were used to dry the TiO 2 sol-gel and obtained TiO 2 crystal. Ball millers were used to grind the TiO 2 crystal in order to obtained nano sized powder. Triton-X was used as surfactant to stabilizer the composite between PMMA: TiO 2 . Besides comparing the nano-composite solution, we also studied the effect of the thin films thickness on the optical properties and surface morphology of the thin films. The thin films were deposited by sol-gel spin coating method on glass substrates. The optical properties and surface characterization were measured with UV-VIS spectrometer equipment and atomic force microscopy (AFM). The result showed that nano-composite PMMA with self prepared TiO 2 give high optical transparency than nano-composite PMMA with commercially available TiO 2 nano powder. The results also indicate as the thickness is increased the optical transparency are decreased. Both AFM images showed that the agglomerations of TiO 2 particles are occurred on the thin films and the surface roughness is increased when the thickness is increased. High agglomeration particles exist in the AFM images for nano-composite PMMA: TiO 2 with TiO 2 nano powder compare to the other nano-composite solution. (author)

  5. Distinct toxic interactions of TiO2 nanoparticles with four coexisting organochlorine contaminants on algae.

    Science.gov (United States)

    Zhang, Shuai; Deng, Rui; Lin, Daohui; Wu, Fengchang

    Engineered nanoparticles are increasingly discharged into the environment. After discharge, these nanoparticles can interact with co-existing organic contaminants, resulting in a phenomena referred to as 'joint toxicity'. This study evaluated joint toxicities of TiO 2 nanoparticles (TiO 2 NPs) with four different (atrazine, hexachlorobenzene, pentachlorobenzene, and 3,3',4,4'-tetrachlorobiphenyl) organochlorine contaminants (OCs) toward algae (Chlorella pyrenoidosa). The potential mechanisms underlying the joint toxicity were discussed, including TiO 2 NPs-OC interactions, effects of TiO 2 NPs and OCs on biophysicochemical properties of algae and effects of TiO 2 NPs and OCs on each other's bioaccumulation in algae. The results indicate that coexposure led to a synergistic effect on the joint toxicity for TiO 2 NPs-atrazine, antagonistic effect for TiO 2 NPs-hexachlorobenzene and TiO 2 NPs-3,3',4,4'-tetrachlorobiphenyl, and an additive effect for TiO 2 NPs-pentachlorobenzene. There was nearly no adsorption of OCs by TiO 2 NPs, and the physicochemical properties of TiO 2 NPs were largely unaltered by the presence of OCs. However, both OCs and NPs affected the biophysicochemical properties of algal cells and thereby influenced the cell surface binding and/or internalization. TiO 2 NPs significantly increased the bioaccumulation of each OC. However, with the exception of atrazine, the bioaccumulation of TiO 2 NPs decreased when used with each OC. The distinct joint toxicity outcomes were a result of the balance between the increased toxicities of OCs (increased bioaccumulations) and the altered toxicity of TiO 2 NPs (bioaccumulation can either increase or decrease). These results can significantly improve our understanding of the potential environmental risks associated with NPs.

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

    KAUST Repository

    Harb, Moussab

    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.

  7. New trend for synthesizing of magnetic nanorods with titanomaghemite structure

    Energy Technology Data Exchange (ETDEWEB)

    Saber, Osama, E-mail: osmohamed@kfu.edu.sa [Faculty of Science, King Faisal University, P.O. Box 400, Al-Hassa 31982 (Saudi Arabia); Egyptian Petroleum Research Institute, Nasr City, P.O. Box 11727, Cairo (Egypt)

    2016-07-15

    This research aims at developing magnetic and optical materials through fabrication of uniform nanorods by facile and novel technique. In this trend, titanium and iron were successfully combined together forming nanorods without template or high temperature by urea hydrolysis. TEM images showed uniform and homogeneous nanorods with dimensions; 10 nm in width and 50 nm in length. In the same time, fine nanoparticles were observed around the nanorods. With further treatment for the nanorods at high temperature and pressure, FESEM images revealed that the dimensions of the rods slightly increased to be 70 nm in length and 12 nm in width with a complete disappearance of the nanoparticles. Using X-ray diffraction, thermal analyses and infrared spectra in addition to the results of the electron microscopy, the oriented attachment mechanism was suggested for the formation of titanium iron oxides nanorods. The magnetic measurements revealed that the prepared nanorods possess ferromagnetic behavior and exhibit high saturation magnetization. Also, the optical properties showed that the nanorods have high absorption in the visible region and possess low band gap energy. Finally, we concluded that it is probably the first time to prepare nanorods by urea hydrolysis. The advanced optical and magnetic properties give the prepared nanorods relevance to use as building blocks in functional nanoscale devices. - Graphical abstract: The present study has a dual aim for developing new and facile method for fabrication of nanorods containing titanomaghemite structure and improving their optical and magnetic properties - Highlights: • Synthesis of titanium iron oxides nanorods with titanomaghemite structure. • Using urea hydrolysis for preparation of nanorods. • Studying of the effect of pressure and temperature on the nanorods. • Enhancement of the magnetic properties of the nanorods in comparison with the nanoparticles. • Improvement of the optical properties of the nanorods

  8. Study on the enhanced adsorption properties of lysozyme on polyacrylic acid modified TiO2 nano-adsorbents

    Science.gov (United States)

    Liu, Yufeng; Jin, Zu; Meng, Hao; Zhang, Xia

    2018-01-01

    The adsorption and immobilization of enzymes onto solid carriers has been focused on due to their many advantages, such as improved stability against a thermal or organic solvent and a good cycle usability. TiO2 nanoparticles is one of excellent nano-adsorbents owing to its excellent biocompatibility, non-inflammatory, and abundant surface hydroxyl groups, which are convenient to be combined with various functional groups. In this paper polyacrylic acid (PAA) modified TiO2 nanoparticles were synthesized through an in situ light-induced polymerization of acrylic acid on the surface of TiO2 nanoparticles. The structure and surface physicochemical properties of the PAA/TiO2 nanoparticles were characterized by TEM, XRD, FT-IR, Zeta potential measurements and TG-DSC. The experimental results showed that the isoelectric point of PAA/TiO2 significantly reduced to 1.82 compared with that of pure TiO2 nanoparticles (6.08). In the adsorption tests of lysozyme (Lyz), the PAA/TiO2 nanoparticles displayed enhanced adsorption activity compared with pristine TiO2. The maximum adsorption capacity of PAA/TiO2 for Lyz was 225.9 mg g-1 under the optimum conditions where the initial concentration of Lyz was 300 mg ml-1, the addition amount of PAA/TiO2 was 6.4 mg, the adsorption time was 30 min and the pH value was 7.0. The sodium dodecyl sulfate (SDS, 0.5%) presented the best efficiency (76.86%) in the removal of adsorbed Lyz, and the PAA/TiO2 nanoparticles showed excellent adsorption stability based on five cyclic adsorption-desorption tests. The fitting calculation results of the adsorption isotherm and the thermodynamics indicated the adsorption was an exothermic, entropy increasing, spontaneous and monomolecular layer adsorption process.

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

    International Nuclear Information System (INIS)

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

    2016-01-01

    Highlights: • Formation energy of Mg and Mg-Nb co-doped TiO_2 anatase surface (101) is studied. • Effect of Mg defect to the TiO_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_2 anatase hosting these defects are studied. - Abstract: In this paper, by using density functional theory, Mg and Nb-Mg co-doping of TiO_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_2 surface on dye-sensitized solar cells are investigated. In this study, it is shown that the Nb-Mg co-doping could increase J_S_C of the surface while slightly decreasing V_O_C compared to Mg doped surface, which might result in an increase in efficiency of the DSSCs compared to Nb or Mg doped surfaces.

  10. Fibroblast responses and antibacterial activity of Cu and Zn co-doped TiO2 for percutaneous implants

    Science.gov (United States)

    Zhang, Lan; Guo, Jiaqi; Yan, Ting; Han, Yong

    2018-03-01

    In order to enhance skin integration and antibacterial activity of Ti percutaneous implants, microporous TiO2 coatings co-doped with different doses of Cu2+ and Zn2+ were directly fabricated on Ti via micro-arc oxidation (MAO). The structures of coatings were investigated; the behaviors of fibroblasts (L-929) as well as the response of Staphylococcus aureus (S. aureus) were evaluated. During the MAO process, a large number of micro-arc discharges forming on Ti performed as penetrating channels; O2-, Ca2+, Zn2+, Cu2+ and PO43- delivered via the channels, giving rise to the formation of doped TiO2. Surface characteristics including phase component, topography, surface roughness and wettability were almost the same for different coatings, whereas, the amount of Cu doped in TiO2 decreased with the increased Zn amount. Compared with Cu single-doped TiO2 (0.77 Wt% Cu), the co-doped with appropriate amounts of Cu and Zn, for example, 0.55 Wt% Cu and 2.53 Wt% Zn, further improved proliferation of L-929, facilitated fibroblasts to switch to fibrotic phenotype, and enhanced synthesis of collagen I as well as the extracellular collagen secretion; the antibacterial properties including contact-killing and release-killing were also enhanced. By analyzing the relationship of Cu/Zn amount in TiO2 and the behaviors of L-929 and S. aureus, it can be deduced that when the doped Zn is in a low dose (<1.79 Wt%), the behaviors of L-929 and S. aureus are sensitive to the reduced amount of Cu2+, whereas, Zn2+ plays a key role in accelerating fibroblast functions and reducing S. aureus when its dose obviously increases from 2.63 to 6.47 Wt%.

  11. Horseradish peroxidase functionalized gold nanorods as a label for sensitive electrochemical detection of alpha-fetoprotein antigen.

    Science.gov (United States)

    Guo, Jinjin; Han, Xiaowei; Wang, Junchun; Zhao, Junqing; Guo, Zilin; Zhang, Yuzhong

    2015-12-15

    In this study, a novel tracer, horseradish peroxidase (HRP) functionalized gold nanorods (Au NRs) nanocomposites (HRP-Au NRs), was designed to label the signal antibodies for sensitive electrochemical measurement of alpha-fetoprotein (AFP). The preparation of HRP-Au NRs nanocomposites and the labeling of secondary antibody (Ab2) were performed by one-pot assembly of HRP and Ab2 on the surface of Au NRs. The immunosensor was fabricated by assembling carbon nanotubes (CNTs), Au NRs, and capture antibodies (Ab1) on the glassy carbon electrode. In the presence of AFP antigen, the labels were captured on the surface of the Au NRs/CNTs via specific recognition of antigen-antibody, resulting in the signal intensity being clearly increased. Differential pulse voltammetry (DPV) was employed to record the response signal of the immunosensor in phosphate-buffered saline (PBS) containing hydrogen peroxide (H2O2) and 3,3',5,5'-tetramethylbenzidine (TMB). Under optimal conditions, the signal intensity was linearly related to the concentration of AFP in the range of 0.1-100 ng ml(-1), and the limit of detection was 30 pg ml(-1) (at signal/noise [S/N] = 3). Furthermore, the immunoassay method was evaluated using human serum samples, and the recovery obtained was within 99.0 and 102.7%, indicating that the immunosensor has potential clinical applications. Copyright © 2015 Elsevier Inc. All rights reserved.

  12. Hybrid matrices of TiO2 and TiO2–Ag nanofibers with silicone for high water flux photocatalytic degradation of dairy effluent

    DEFF Research Database (Denmark)

    Kanjwal, Muzafar Ahmad; Alm, Martin; Thomsen, Peter

    2016-01-01

    TiO2 and TiO2–Ag nanofibers were produced by electrospinning technique and surface coated on silicone elastomer (diameter: 10.0 mm; thickness: 2.0 mm) by dipcoating method. These coated hybrid nanoporous matrices were characterized by various morphological and physicochemical techniques (like SEM...

  13. TiO2/Cu2O composite based on TiO2 NTPC photoanode for photoelectrochemical (PEC) water splitting under visible light

    KAUST Repository

    Shi, Le

    2015-01-01

    in practice of water splitting with pure TiO2 material, one of the most popular semiconductor material used for photoelectrochemical water splitting, is still challenging. One dimensional TiO2 nanotubes is highly desired with its less recombination

  14. Charge transfer between biogenic jarosite derived Fe3+and TiO2 enhances visible light photocatalytic activity of TiO2.

    Science.gov (United States)

    Chowdhury, Mahabubur; Shoko, Sipiwe; Cummings, Fransciuos; Fester, Veruscha; Ojumu, Tunde Victor

    2017-04-01

    In this work, we have shown that mining waste derived Fe 3+ can be used to enhance the photocatalytic activity of TiO 2 . This will allow us to harness a waste product from the mines, and utilize it to enhance TiO 2 photocatalytic waste water treatment efficiency. An organic linker mediated route was utilized to create a composite of TiO 2 and biogenic jarosite. Evidence of FeOTi bonding in the TiO 2 /jarosite composite was apparent from the FTIR, EFTEM, EELS and ELNEFS analysis. The as prepared material showed enhanced photocatalytic activity compared to pristine TiO 2 , biogenic jarosite and mechanically mixed sample of jarosite and TiO 2 under both simulated and natural solar irradiation. The prepared material can reduce the electrical energy consumption by 4 times compared to pristine P25 for degradation of organic pollutant in water. The material also showed good recyclability. Results obtained from sedimentation experiments showed that the larger sized jarosite material provided the surface to TiO 2 nanoparticles, which increases the settling rate of the materials. This allowed simple and efficient recovery of the catalyst from the reaction system after completion of photocatalysis. Enhanced photocatalytic activity of the composite material was due to effective charge transfer between TiO 2 and jarosite derived Fe 3+ as was shown from the EELS and ELNEFS. Generation of OH was supported by photoluminesence (PL) experiments. Copyright © 2016. Published by Elsevier B.V.

  15. Stable Water Oxidation in Acid Using Manganese-Modified TiO2 Protective Coatings.

    Science.gov (United States)

    Siddiqi, Georges; Luo, Zhenya; Xie, Yujun; Pan, Zhenhua; Zhu, Qianhong; Röhr, Jason A; Cha, Judy J; Hu, Shu

    2018-06-06

    Accomplishing acid-stable water oxidation is a critical matter for achieving both long-lasting water-splitting devices and other fuel-forming electro- and photocatalytic processes. Because water oxidation releases protons into the local electrolytic environment, it becomes increasingly acidic during device operation, which leads to corrosion of the photoactive component and hence loss in device performance and lifetime. In this work, we show that thin films of manganese-modified titania, (Ti,Mn)O x , topped with an iridium catalyst, can be used in a coating stabilization scheme for acid-stable water oxidation. We achieved a device lifetime of more than 100 h in pH = 0 acid. We successfully grew (Ti,Mn)O x coatings with uniform elemental distributions over a wide range of manganese compositions using atomic layer deposition (ALD), and using X-ray photoelectron spectroscopy, we show that (Ti,Mn)O x films grown in this manner give rise to closer-to-valence-band Fermi levels, which can be further tuned with annealing. In contrast to the normally n-type or intrinsic TiO 2 coatings, annealed (Ti,Mn)O x films can make direct charge transfer to a Fe(CN) 6 3-/4- redox couple dissolved in aqueous electrolytes. Using the Fe(CN) 6 3-/4- redox, we further demonstrated anodic charge transfer through the (Ti,Mn)O x films to high work function metals, such as iridium and gold, which is not previously possible with ALD-grown TiO 2 . We correlated changes in the crystallinity (amorphous to rutile TiO 2 ) and oxidation state (2+ to 3+) of the annealed (Ti,Mn)O x films to their hole conductivity and electrochemical stability in acid. Finally, by combining (Ti,Mn)O x coatings with iridium, an acid-stable water-oxidation anode, using acid-sensitive conductive fluorine-doped tin oxides, was achieved.

  16. Undoped TiO2 particles as photoactive material for integrated metal-semiconductor structures

    International Nuclear Information System (INIS)

    Molina, Joel; Calleja, Wilfrido; Hernández, Luis; Zúñiga, Carlos; Linares, Monico; Wade, F. Javier

    2015-01-01

    Rutile-phase undoped TiO 2 nanoparticles are embedded within an organic SiO 2 matrix and the final dielectric mixture is then deposited by spinning on a thin film of aluminum (previously deposited on glass covers by e-beam evaporation). This so called “horizontal” TiO 2 -SiO 2 /Al/Glass structure is then electrically characterized under dark and light conditions (I-V-light) so that the total resistance of a simple aluminum stripe is measured and correlated before and after UV-Vis irradiation. Compared to dark conditions, excess carriers are photogenerated within the TiO 2 nanoparticles during light exposure and they are directly transferred to both ends of the aluminum stripe after applying a low potential difference (photoresistor). On the other hand, “vertical” structures using ultra-thin titanium films as a gate electrode produce a capacitor in the form of a Metal-Insulator-Metal (MIM) structure. Because of the ultra-thin titanium layer, this gate electrode is highly transparent to all UV-Vis irradiation so that when all carriers are being photogenerated, a vertical transition of these carriers between top/bottom (Ti/Al) electrodes by an applied external electric field would require a shorter distance thus increasing their lifetime before recombination as compared to the horizontal structures. These vertical structures are able to photogenerate carriers more efficiently and they are similar in function to that of a so-called photocapacitor, where all carriers could be efficiently stored within the dielectric itself right after photogeneration. Therefore, a light-driven self-charging capacitor having an efficient storage mechanism of solar energy could be obtained. (full text)

  17. Structural properties of TiO2 nanomaterials

    Science.gov (United States)

    Kusior, Anna; Banas, Joanna; Trenczek-Zajac, Anita; Zubrzycka, Paulina; Micek-Ilnicka, Anna; Radecka, Marta

    2018-04-01

    The surface of solids is characterized by active, energy-rich sites that determine physicochemical interaction with gaseous and liquid media and possible applications in photocatalysis. The behavior of materials in such processes is related to their form and amount of various species, especially water and forms of oxygen adsorbed on the surface. The preparation of materials with controlled morphology, which includes modifications of the size, geometry, and composition, is currently an important way of optimizing properties, as many of them depend on not only the size and phase composition, but also on shape. Hydroxylated centers on the surface, which can be treated as trapping sites, are particularly significant. Water adsorbed on the surface bridging hydroxyl groups can distinctly modulate the properties of the surface of titania. The saturation of the surface with hydroxyl groups may improve the photocatalytic properties. TiO2 nanomaterials were obtained via different methods. SEM and TEM analysis were performed to study the morphology. The analysis of XRD and Raman data revealed a phase composition of obtained materials. To examine the surface properties, FTIR absorption spectra of TiO2 nanomaterials were recorded. The photocatalytic activity of titanium dioxide nanoparticles was investigated through the decomposition of methylene blue. It was demonstrated that each surface modification affects the amount of adsorbed hydroxyl groups. The different contributions of the two species to the ν(H2O) FTIR bands for different nanostructures result from the preparation conditions. It was noted that pre-adsorbed water (the surface-bridging hydroxyl) might significantly modulate the surface properties of the material. The increase in hydroxyl group density on the titanium dioxide surface enhances the effectiveness of the photocatalytic processes. It was demonstrated that flower-like titania obtained via hydrothermal synthesis exhibits the weakest catalytic activity, in contrast to the typical spherical TiO2.

  18. On Multiple Zagreb Indices of TiO2 Nanotubes.

    Science.gov (United States)

    Malik, Mehar Ali; Imran, Muhammad

    2015-01-01

    The First and Second Zagreb indices were first introduced by I. Gutman and N. Trinajstic in 1972. It is reported that these indices are useful in the study of anti-inflammatory activities of certain chemical instances, and in elsewhere. Recently, the first and second multiple Zagreb indices of a graph were introduced by Ghorbani and Azimi in 2012. In this paper, we calculate the Zagreb indices and the multiplicative versions of the Zagreb indices of an infinite class of Titania nanotubes TiO(2)[m,n].

  19. Al-bound hole polarons in TiO2

    International Nuclear Information System (INIS)

    Stashans, Arvids; Bermeo, Sthefano

    2009-01-01

    Changes in the structural and electronic properties of TiO 2 (anatase and rutile) due to the Al-doping are studied using a quantum-chemical approach based on the Hartree-Fock theory. The formation of hole polarons trapped at oxygen sites near the Al impurity has been discovered and their spatial configuration are discussed. The occurrence of well-localized one-center hole polarons in rutile may influence its photocatalytic activity. Optical absorption energy for this hole center is obtained, 0.4 eV, using the ΔSCF approach.

  20. Tailoring the wettability of nanocrystalline TiO 2 films

    Science.gov (United States)

    Liang, Qiyu; Chen, Yan; Fan, Yuzun; Hu, Yong; Wu, Yuedong; Zhao, Ziqiang; Meng, Qingbo

    2012-01-01

    The water contact angle (WCA) of nanocrystalline TiO2 films was adjusted by fluoroalkylsilane (FAS) modification and photocatalytic lithography. FAS modification made the surface hydrophobic with the WCA up to ∼156°, while ultraviolet (UV) irradiation changed surface to hydrophilic with the WCA down to ∼0°. Both the hydrophobicity and hydrophilicity were enhanced by surface roughness. The wettability can be tailored by varying the concentration of FAS solution and soaking time, as well as the UV light intensity and irradiation time. Additionally, with the help of photomasks, hydrophobic-hydrophilic micropatterns can be fabricated and manifested via area-selective deposition of polystyrene particles.

  1. Highly uniform bipolar resistive switching characteristics in TiO2/BaTiO3/TiO2 multilayer

    International Nuclear Information System (INIS)

    Ma, W. J.; Zhang, X. Y.; Wang, Ying; Zheng, Yue; Lin, S. P.; Luo, J. M.; Wang, B.; Li, Z. X.

    2013-01-01

    Nanoscale multilayer structure TiO 2 /BaTiO 3 /TiO 2 has been fabricated on Pt/Ti/SiO 2 /Si substrate by chemical solution deposition method. Highly uniform bipolar resistive switching (BRS) characteristics have been observed in Pt/TiO 2 /BaTiO 3 /TiO 2 /Pt cells. Analysis of the current-voltage relationship demonstrates that the space-charge-limited current conduction controlled by the localized oxygen vacancies should be important to the resistive switching behavior. X-ray photoelectron spectroscopy results indicated that oxygen vacancies in TiO 2 play a crucial role in the resistive switching phenomenon and the introduced TiO 2 /BaTiO 3 interfaces result in the high uniformity of bipolar resistive switching characteristics

  2. Ab Initio Study of the Atomic Level Structure of the Rutile TiO2(110)-Titanium Nitride (TiN) Interface.

    Science.gov (United States)

    Gutiérrez Moreno, José Julio; Nolan, Michael

    2017-11-01

    Titanium nitride (TiN) is widely used in industry as a protective coating due to its hardness and resistance to corrosion and can spontaneously form a thin oxide layer when it is exposed to air, which could modify the properties of the coating. With limited understanding of the TiO 2 -TiN interfacial system at present, this work aims to describe the structural and electronic properties of oxidized TiN based on a density functional theory (DFT) study of the rutile TiO 2 (110)-TiN(100) interface model system, also including Hubbard +U correction on Ti 3d states. The small lattice mismatch gives a good stability to the TiO 2 -TiN interface after depositing the oxide onto TiN through the formation of interfacial Ti-O bonds. Our DFT+U study shows the presence of Ti 3+ cations in the TiO 2 region, which are preferentially located next to the interface region as well as the rotation of the rutile TiO 2 octahedra in the interface structure. The DFT+U TiO 2 electronic density of states (EDOS) shows localized Ti 3+ defect states forming in the midgap between the top edge of the valence and the bottom of the conduction band. We increase the complexity of our models by the introduction of nonstoichiometric compositions. Although the vacancy formation energies for Ti in TiN (E vac (Ti) ≥ 4.03 eV) or O in the oxide (E vac (O) ≥ 3.40 eV) are quite high relative to perfect TiO 2 -TiN, defects are known to form during the oxide growth and can therefore be present after TiO 2 formation. Our results show that a structure with exchanged O and N can lie 0.82 eV higher in energy than the perfect system, suggesting the stability of structures with interdiffused O and N anions at ambient conditions. The presence of N in TiO 2 introduces N 2p states localized between the top edge of the O 2p valence states and the midgap Ti 3+ 3d states, thus reducing the band gap in the TiO 2 region for the exchanged O/N interface EDOS. The outcomes of these simulations give us a most comprehensive

  3. Complex damage distribution behaviour in cobalt implanted rutile TiO2 (1 1 0) lattice

    Science.gov (United States)

    Joshi, Shalik Ram; Padmanabhan, B.; Chanda, Anupama; Ojha, Sunil; Kanjilal, D.; Varma, Shikha

    2017-11-01

    The present work investigates the radiation damage, amorphization and structural modifications that are produced by ion-solid interactions in TiO2 crystals during 200 keV Cobalt ion implantation. RBS/C and GIXRD have been utilized to evaluate the damage in the host lattice as a function of ion fluence. Multiple scattering formalism has been applied to extract the depth dependent damage distributions in TiO2(1 1 0). The results have been compared with the MC simulations performed using SRIM-2013. RBS/C results delineate a buried amorphous layer at a low fluence. Surprisingly, ion induced dynamic activation produces a recovery in this damage at higher fluences. This improvement interestingly occurs only in deep regions (60-300 nm) where a systematic lowering in damage with fluence is observed. Formation of Co-Ti-O phases and generation of stress in TiO2 lattice can also be responsible for this improvement in deep regions. In contrast, surface region (0-60 nm) indicates a gradual increase in damage with fluence. Such a switch in the damage behavior creates a cross point in damage profiles at 60 nm. Surface region is a sink of vacancies whereas deep layers are interstitial rich. However, these regions are far separated from each other resulting in an intermediate (100-150 nm) region with a significant dip (valley) in damage which can be characterized by enhanced recombination of point defects. The damage profiles thus indicate a very complex behavior. MC simulations, however, present very different results. They depict a damage profile that extends to a depth of only 150 nm, which is only about half of the damage- width observed here via RBS/C. Moreover, MC simulations do not indicate presence of any valley like structure in the damage profile. The complex nature of damage distribution observed here via RBS/C may be related to the high ionic nature of the chemical bonds in the TiO2 lattice.

  4. Photocatalytic activities of heterostructured TiO2-graphene porous microspheres prepared by ultrasonic spray pyrolysis

    International Nuclear Information System (INIS)

    Yang, Jikai; Zhang, Xintong; Li, Bing; Liu, Hong; Sun, Panpan; Wang, Changhua; Wang, Lingling; Liu, Yichun

    2014-01-01

    Highlights: • USP method is used to prepare TiO 2 -graphene porous microspheres. • XPS shows GO sheets in the composites has been reduced to graphene. • TiO 2 -graphene microspheres display a red-shifted absorption edge. • PL spectra indicate graphene can accept the photoexcited electrons from TiO 2 . • TiO 2 -graphene shows higher photocatalytic activity than TiO 2 under solar light. -- Abstract: TiO 2 -graphene porous microspheres were prepared by ultrasonic spray pyrolysis (USP) of aqueous suspension of graphene oxide containing TiO 2 nanoparticles (Degussa P25). The composite microspheres were characterized with SEM, XPS, photoluminescence, Raman and UV–Vis absorption spectra. TiO 2 -graphene porous microspheres displayed higher photocatalytic activity for the degradation of methylene blue solution than pristine TiO 2 microspheres under the irradiation of Xe lamp, and the highest activity was obtained at a weight percentage of graphene around 1%. The effect of graphene on photocatalytic activity of porous microsphere was discussed in terms of the enhanced charge separation by TiO 2 -graphene heterojunction, increased absorption of the visible light, as well as the possible hindrance of mass transportation in microspheres

  5. Photocatalytic Decolorization Study of Methyl Orange by TiO2–Chitosan Nanocomposites

    Directory of Open Access Journals (Sweden)

    Imelda Fajriati

    2014-10-01

    Full Text Available The photocatalytic decolorization of methyl orange (MO by TiO2-chitosan nanocomposite has been studied. This study was started by synthesizing TiO2-chitosan nanocomposites using sol-gel method with various concentrations of Titanium(IV isopropoxide (TTIP as the TiO2 precursor. The structure, surface morphology, thermal and optical property of TiO2-chitosan nanocomposite were characterized by X-ray diffraction (XRD, fourier transform infra red (FTIR spectroscopy, scanning electron microscopy (SEM, thermogravimetric analysis (TGA, and diffuse reflectance ultra violet (DRUV spectroscopy. The photocatalytic activity of TiO2-chitosan nanocomposite was evaluated by photocatalytic decolorization of methyl orange as a model pollutant. The results indicate that the particle size of TiO2 increases with increasing ofthe concentration of TTIP, in which TiO2 with smallest particle size exhibit the highest photocatalytic activity. The highest photocatalytic decolorization was obtained at 5 h of contact time, initial concentration of MO at 20 ppm and at solution pH of 4. Using these conditions, over 90% of MO was able to be decolorized using 0.02 g of TiO2-chitosan nanocomposite under UV light irradiation. The TiO2-chitosan nanocomposite could be reused, which meant that the TiO2-chitosan nanocomposites can be developed as an effective and economical photocatalyst to decolorize or treat dye in wastewater.

  6. The Influence of NiO Addition in TiO2 Structure and Its Photoactivity

    Science.gov (United States)

    Wahyuningsih, S.; Ramelan, A. H.; Purwanti, P. D.; Munawaroh, H.; Ichsan, S.; Kristiawan, Y. R.

    2018-03-01

    The synthesis of TiO2 together with the TiO2-NiO composite using various annealing temperatures has been studied. The synthesis of TiO2 was performed by sol gel method using Titanium Tetra Isopropoxide (TTIP) precursor, whereas the synthesis of TiO2-NiO composite was done by wet impregnation method using NiNO3.6H2O precursor. This study aims to determine the influence of NiO addition in its structure and photoactivity. The diffraction of synthesized TiO2 at 400 °C temperature shows anatase TiO2 peak at 2θ = 25.35 °. The addition of NiO dopant to the synthesis of TiO2 process is carried out by annealing at 300 °C, 400 °C, 500 °C, 600 °C, and 700 °C, respectively. The TiO2-NiO composite has been prepared and shows the diffraction peak of NiO at 2θ=43° about 33.08 to 36.68%. The optimum result of Rhodamine B photodegradation with TiO2 was 43.15%, while the optimum result of Rhodamine B degradation with TiO2-NiO composite was 92.85%.

  7. Electrochemical Characterization of TiO 2 Blocking Layers for Dye-Sensitized Solar Cells

    KAUST Repository

    Kavan, Ladislav

    2014-07-31

    Thin compact layers of TiO2 are grown by thermal oxidation of Ti, by spray pyrolysis, by electrochemical deposition, and by atomic layer deposition. These layers are used in dye-sensitized solar cells to prevent recombination of electrons from the substrate (FTO or Ti) with the hole-conducting medium at this interface. The quality of blocking is evaluated electrochemically by methylviologen, ferro/ferricyanide, and spiro-OMeTAD as the model redox probes. Two types of pinholes in the blocking layers are classified, and their effective area is quantified. Frequency-independent Mott-Schottky plots are fitted from electrochemical impedance spectroscopy. Certain films of the thicknesses of several nanometers allow distinguishing the depletion layer formation both in the TiO2 film and in the FTO substrate underneath the titania film. The excellent blocking function of thermally oxidized Ti, electrodeposited film (60 nm), and atomic-layer-deposited films (>6 nm) is documented by the relative pinhole area of less than 1%. However, the blocking behavior of electrodeposited and atomic-layer-deposited films is strongly reduced upon calcination at 500 °C. The blocking function of spray-pyrolyzed films is less good but also less sensitive to calcination. The thermally oxidized Ti is well blocking and insensitive to calcination. © 2014 American Chemical Society.

  8. Preparation of rutile TiO(2) coating by thermal chemical vapor deposition for anticoking applications.

    Science.gov (United States)

    Tang, Shiyun; Wang, Jianli; Zhu, Quan; Chen, Yaoqiang; Li, Xiangyuan

    2014-10-08

    To inhibit the metal catalytic coking and improve the oxidation resistance of TiN coating, rutile TiO2 coating has been directly designed as an efficient anticoking coating for n-hexane pyrolysis. TiO2 coatings were prepared on the inner surface of SS304 tubes by a thermal CVD method under varied temperatures from 650 to 900 °C. The rutile TiO2 coating was obtained by annealing the as-deposited TiO2 coating, which is an alternative route for the deposition of rutile TiO2 coating. The morphology, elemental and phase composition of TiO2 coatings were characterized by SEM, EDX and XRD, respectively. The results show that deposition temperature of TiO2 coatings has a strong effect on the morphology and thickness of as-deposited TiO2 coatings. Fe, Cr and Ni at.% of the substrate gradually changes to 0 when the temperature is increased to 800 °C. The thickness of TiO2 coating is more than 6 μm and uniform by metalloscopy, and the films have a nonstoichiometric composition of Ti3O8 when the deposition temperature is above 800 °C. The anticoking tests show that the TiO2 coating at a deposition temperature of 800 °C is sufficiently thick to cover the cracks and gaps on the surface of blank substrate and cut off the catalytic coke growth effect of the metal substrate. The anticoking ratio of TiO2 coating corresponding to each 5 cm segments is above 65% and the average anticoking ratio of TiO2 coating is up to 76%. Thus, the TiO2 coating can provide a very good protective layer to prevent the substrate from severe coking efficiently.

  9. Exchange of TiO2 nanoparticles between streams and streambeds.

    Science.gov (United States)

    Boncagni, Natalia Ticiana; Otaegui, Justo Manuel; Warner, Evelyn; Curran, Trisha; Ren, Jianhong; de Cortalezzi, Maria Marta Fidalgo

    2009-10-15

    The expanding use of manufactured nanoparticles has increased the potential for their release into the natural environment. Particularly, TiO2 nanoparticles pose significant exposure risk to humans and other living species due to their extensive use in a wide range of fields. To better understand the environmental and health risks associated with the release of TiO2 nanoparticles, knowledge on their fate and transport is needed. This study evaluates the transport of two different TiO2 nanoparticles: one commercially available (P25 TiO2 and the other synthesized at a lab scale (synthesized TiO2). Laboratory flume, column, and batch experiments were conducted to investigate the processes dominating the transport of TiO2 nanoparticles between streams and streambeds and to characterize the properties of these nanoparticles under different physicochemical conditions. Results show that the synthesized TiO2 was more stable compared to the P25 TiO2, which underwent significant aggregation under the same experimental conditions. As a result, P25 TiO2 deposited at a faster rate than the synthesized TiO2 in the streambed. Both types of TiO2 nanoparticles deposited in the streambed were easily released when the stream velocity was increased. The aggregation and deposition of P25 TiO2 were highly dependent on pH. A process-based colloid exchange model was applied to interpret the observed transport behavior of the TiO2 nanoparticles.

  10. Functionalization of atomic force microscope tips by dielectrophoretic assembly of Gd2O3:Eu3+ nanorods

    International Nuclear Information System (INIS)

    Macedo, Andreia G; Ananias, Duarte; Andre, Paulo S; Ferreira, Rute A sa; Carlos, Luis D; Kholkin, Andrei L; Rocha, J

    2008-01-01

    An atomic force microscopy (AFM) tip has been coated with photoluminescent Eu 3+ -doped Gd 2 O 3 nanorods using a dielectrophoresis technique, which preserves the red emission of the nanorods (quantum yield 0.47). The performance of the modified tips has been tested by using them for regular topography imaging in tapping and contact modes. Both a regular AFM standard grid and a patterned surface (of an organic-inorganic methacrylate Zr-based oxo-cluster and poly(oxyethylene)/siloxane hybrid) have been used. Similar depth values have been measured using a conventional silicon tip and the nanorod-modified tip. The tips before and after use exhibit similar SEM images and photoluminescence spectra and, thus, seem to be stable under working conditions. These tips should find applications in scanning near-field optical microscopy and other scanning techniques

  11. Preparation of brookite TiO2 nanoparticles with small sizes and the improved photovoltaic performance of brookite-based dye-sensitized solar cells.

    Science.gov (United States)

    Xu, Jinlei; Wu, Shufang; Jin, Jingpeng; Peng, Tianyou

    2016-11-10

    Brookite TiO 2 nanoparticles with small sizes (hereafter denoted as BTP particles) were synthesized through the hydrothermal treatment of TiCl 4 solution with Pb(NO 3 ) 2 as an additive. The obtained BTP particles have a large specific surface area (∼122.2 m 2 g -1 ) and relatively uniform particle sizes (∼10 nm) with the coexistence of a small quantity of nanorods with a length of ∼100 nm. When used as a photoanode material for dye-sensitized solar cells (DSSCs), the BTP particles show a much higher dye-loading content than the brookite TiO 2 quasi nanocubes (denoted as BTN particles) with a mean size of ∼50 nm and a specific surface area of ∼34.2 m 2 g -1 that were prepared through a similar hydrothermal process but without the addition of Pb(NO 3 ) 2 . The fabricated BTP film-based solar cell with an optimized film thickness gives a conversion efficiency up to 6.36% with a 74% improvement when compared to the BTN film-based one (3.65%) under AM 1.5G one sun irradiation, while the corresponding bilayer brookite-based solar cell by using brookite TiO 2 submicrometer particles as an overlayer of the BTP film displays a significantly enhanced efficiency of 7.64%. Both of them exceed the current record (5.97%) for the conversion efficiency of pure brookite-based DSSCs reported in the literature. The present results not only demonstrate a really simple synthesis of brookite TiO 2 nanoparticles with both high phase purity and a large surface area, but also offer an efficient approach to improve the photovoltaic performance of brookite-based solar cells by offsetting brookite's inherent shortages such as lower dye-loading and poor conductivity as compared to anatase.

  12. Microwave-assisted self-doping of TiO2 photonic crystals for efficient photoelectrochemical water splitting

    KAUST Repository

    Zhang, Zhonghai; Yang, Xiulin; Hedhili, Mohamed N.; Ahmed, Elaf S.; Shi, Le; Wang, Peng

    2014-01-01

    In this article, we report that the combination of microwave heating and ethylene glycol, a mild reducing agent, can induce Ti3+ self-doping in TiO2. A hierarchical TiO2 nanotube array with the top layer serving as TiO2 photonic crystals (TiO2 NTPCs

  13. A facile hydrothermal strategy for synthesis of SnO2 nanorods-graphene nanocomposites for high performance photocatalysis.

    Science.gov (United States)

    Chen, Lu-Ya; Zhang, Wei-De; Xu, Bin; Yu, Yu-Xiang

    2012-09-01

    In this study, we report a facilely hydrothermal process for synthesizing SnO2 nanorods-graphene (SnO2 nanorods-GR) composite using graphite oxide and SnCl4 as raw materials. The SnO2 nanorods-GR composite was characterized by X-ray diffraction, electron microscopy, Xray photoelectron spectroscopy, and thermogravimetric analysis. Compared to commercial TiO2 nanoparticles P25 and neat SnO2 nanorods, the SnO2 nanorods-GR composite exhibits higher photocatalytic activity under UV light irradiation. The mechanism of its high photocatalytic activity is mainly ascribed to the synergy effect between SnO2 and graphene, in which graphene acts as an adsorbent and electron acceptor due to its large structure of pi-pi conjugation from sp2 hybrid carbon atoms. The results demonstrated in this study provide a promising way to enhance the photocatalytic activity by compounding semiconductive nanocrystals with graphene.

  14. Photoluminescence studies on Eu doped TiO2 nanoparticles

    International Nuclear Information System (INIS)

    Ningthoujam, R.S.; Sudarsan, V.; Vatsa, R.K.; Kadam, R.M.; Jagannath; Gupta, A.

    2009-01-01

    Eu 3+ doped TiO 2 nanoparticles were prepared by urea hydrolysis in ethylene glycol medium at low temperature of 150 deg. C. X-ray diffraction study showed that anatase phase of tetragonal structure was formed below 500 deg. C; and above this temperature, additional peaks due to rutile phase were also observed. From luminescence study, it was found that as prepared nanoparticles showed the enhanced luminescence intensity due to energy transfer from host to europium ions. However, photoluminescence from these nanoparticles was found to disappear when the samples were heated above 900 deg. C. We established the origin of the reduction in the luminescence intensity from Eu 3+ when doped in TiO 2 and heated at 900 deg. C. Based on detailed studies at different heat-treatment temperatures using techniques such as X-ray diffraction, X-ray photoelectron spectroscopy, electron paramagnetic resonance, Raman spectroscopy, and Moessbauer spectroscopy, it has been established that formation of Eu 2 Ti 2 O 7 phase, wherein Eu 3+ ions occupy high symmetric environment (D 3d ) and also reduced distance between Eu 3+ and Eu 3+ ions is responsible for the decrease/loss in the luminescence intensity.

  15. Unconventional cells of TiO2 doped with erbium

    International Nuclear Information System (INIS)

    Ribeiro, P.C.; Campos, R.D.; Oliveira, A.S.; Wellen, R.; Diniz, V.C.S.; Costa, A.C.F.M. da

    2016-01-01

    The technology used in TiO_2 solar cells is in constant improvement, new configurations have been developed, aiming practicality and leading to efficiency increase of photovoltaic devices. This paper proposes a new technology for the production of solar cells in order to investigate a better utilization of solar spectrum of TiO2 doped with erbium (Er"3"+), proven by energetic conversion. The Ti_0_,_9Er_0_,_1O2 system was obtained by Pechini method. Nanoparticles have a crystallite size 65.30 nm and surface area 118.48 m"2/g. These characteristics are essential for the formation of the film to be deposited on the conductive glass substrate constituting the cell's photoelectrode. The other side of the cell is the platinum counter electrode. The cell will have the faces sealed by a thermoplastic and, finally the electrolyte will be inserted, then they will be electrically evaluated through energy efficiency and confronted with the literature data base. (author)

  16. Fabrication and characterization of TiO2-epoxy nanocomposite

    International Nuclear Information System (INIS)

    Chatterjee, Amit; Islam, Muhammad S.

    2008-01-01

    A systematic study has been conducted to investigate the matrix properties by introducing nanosize TiO 2 (5-40 nm, 0.5-2% by weight) fillers into an epoxy resin. Ultrasonic mixing process, via sonic cavitations, was employed to disperse the particles into the resin system. The thermal, mechanical, morphology and the viscoelastic properties of the nanocomposite and the neat resin were measured with TGA, DMA, TEM and Instron. The nano-particles are dispersed evenly throughout the entire volume of the resin. The nanofiller infusion improves the thermal, mechanical and viscoelastic properties of the epoxy resin. The nanocomposite shows increase in storage modulus, glass transition temperature, tensile modulus, flexural modulus and short beam shear strength from neat epoxy resin. The mechanical performance and thermal stability of the epoxy nanocomposites are depending on with the dispersion state of the TiO 2 in the epoxy matrix and are correlated with loading (0.0015-0.006% by volume). In addition, the nanocomposite shows enhanced flexural strength. Several reasons to explain these effects in terms of reinforcing mechanisms were discussed

  17. Effects of subtoxic concentrations of TiO2 and ZnO nanoparticles on human lymphocytes, dendritic cells and exosome production.

    Science.gov (United States)

    Andersson-Willman, Britta; Gehrmann, Ulf; Cansu, Zekiye; Buerki-Thurnherr, Tina; Krug, Harald F; Gabrielsson, Susanne; Scheynius, Annika

    2012-10-01

    Metal oxide nanoparticles are widely used in the paint and coating industry as well as in cosmetics, but the knowledge of their possible interactions with the immune system is very limited. Our aims were to investigate if commercially available TiO(2) and ZnO nanoparticles may affect different human immune cells and their production of exosomes, nano-sized vesicles that have a role in cell to cell communication. We found that the TiO(2) or ZnO nanoparticles at concentrations from 1 to 100μg/mL did not affect the viability of primary human peripheral blood mononuclear cells (PBMC). In contrast, monocyte-derived dendritic cells (MDDC) reacted with a dose dependent increase in cell death and caspase activity to ZnO but not to TiO(2) nanoparticles. Non-toxic exposure, 10μg/mL, to TiO(2) and ZnO nanoparticles did not significantly alter the phenotype of MDDC. Interestingly, ZnO but not TiO(2) nanoparticles induced a down regulation of FcγRIII (CD16) expression on NK-cells in the PBMC population, suggesting that subtoxic concentrations of ZnO nanoparticles might have an effect on FcγR-mediated immune responses. The phenotype and size of exosomes produced by PBMC or MDDC exposed to the nanoparticles were similar to that of exosomes harvested from control cultures. TiO(2) or ZnO nanoparticles could not be detected within or associated to exosomes as analyzed with TEM. We conclude that TiO(2) and ZnO nanoparticles differently affect immune cells and that evaluations of nanoparticles should be performed even at subtoxic concentrations on different primary human immune cells when investigating potential effects on immune functions. Copyright © 2012 Elsevier Inc. All rights reserved.

  18. MRI tracing non-invasive TiO2-based nanoparticles activated by ultrasound for multi-mechanism therapy of prostatic cancer

    Science.gov (United States)

    Yuan, Pu; Song, Dongkui

    2018-03-01

    To reduce the side effects of chemotherapy and achieve effective and safe therapy for prostate cancer, herein a simple but multi-functional TiO2:Gd@DOX/FA system activated by ultrasound was developed for the MRI-guided multi-mechanism therapy of prostate cancer. TiO2 nanoparticles served as a sonosensitizer as well as a nanocarrier with the pH-responsive release of DOX. The doping of Gd was not only able to endow the TiO2 with magnetic resonance imaging (MRI) ability, but also further improve the sonodynamic ability of the TiO2. The characterization of the as-prepared TiO2:Gd@DOX/FA showed sensitive pH-responsive drug release, high reactive oxygen species (ROS) production, T 1-MRI contrast performance and excellent biocompatibility. The cytotoxicity assay in vitro showed cell death up to 91.68% after 48 h incubation induced by the TiO2:Gd@DOX + ultrasound group. Meanwhile, in the in vivo synergistic therapy studies, the tumor sizes of all the nanomedicine groups were smaller than for the free DOX (V:V 0 = 4.2). More importantly, the body showed nearly no weight loss. This safety was also confirmed by the H&E staining, biodistribution experiment and serum biochemistry results. Altogether, TiO2:Gd@DOX/FA significantly reduced the side effects of DOX, augmented the levels of ROS and achieved effective and safe therapy, indicating its potential for the multi-mechanism therapy of prostate cancer. There is no conflict of interest in this study and no funding has been received for it. We received the approval of the Research Ethics Committee before conducting this study.

  19. Octadecyltrimethoxysilane functionalized ZnO nanorods as a novel coating for solid-phase microextraction with strong hydrophobic surface.

    Science.gov (United States)

    Zeng, Jingbin; Liu, Haihong; Chen, Jinmei; Huang, Jianli; Yu, Jianfeng; Wang, Yiru; Chen, Xi

    2012-09-21

    In this paper, we have, for the first time, proposed an approach by combining self-assembled monolayers (SAMs) and nanomaterials (NMs) for the preparation of novel solid-phase microextraction (SPME) coatings. The self-assembly of octadecyltrimethoxysilane (OTMS) on the surface of ZnO nanorods (ZNRs) was selected as a model system to demonstrate the feasibility of this approach. The functionalization of OTMS on the surface of ZNRs was characterized and confirmed using scanning electron microscopy (SEM) and energy dispersive X-ray spectroscopy (EDS). The OTMS-ZNRs coated fiber exhibited stronger hydrophobicity after functionalization, and its extraction efficiency for non-polar benzene homologues was increased by a factor of 1.5-3.6 when compared to a ZNRs fiber with almost identical thickness and façade. In contrast, the extraction efficiency of the OTMS-ZNRs coated fiber for polar aldehydes was 1.6-4.0-fold lower than that of the ZNRs coated fiber, further indicating its enhanced surface hydrophobicity. The OTMS-ZNRs coated fiber revealed a much higher capacity upon increasing the OTMS layer thickness to 5 μm, leading to a factor of 12.0-13.4 and 1.8-2.5 increase in extraction efficiency for the benzene homologues relative to a ZNRs coated fiber and a commercial PDMS fiber, respectively. The developed HS-SPME-GC method using the OTMS-ZNRs coated fiber was successfully applied to the determination of the benzene homologues in limnetic water samples with recovery ranging from 83 to 113% and relative standard deviations (RSDs) of less than 8%.

  20. Vertically grown zinc oxide nanorods functionalized with ferric oxide for in vivo and non-enzymatic glucose detection

    Science.gov (United States)

    Marie, Mohammed; Manoharan, Anishkumar; Kuchuk, Andrian; Ang, Simon; Manasreh, M. O.

    2018-03-01

    An enzyme-free glucose sensor based on vertically grown zinc oxide nanorods (NRs) functionalized with ferric oxide (Fe2O3) is investigated. The well-aligned and high density ZnO NRs were synthesized on an FTO/glass substrate by a sol-gel and hydrothermal growth method. A dip-coating technique was utilized to modify the surface of the as-grown ZnO NRs with Fe2O3. The immobilized surface was coated with a layer of nafion membrane. The fabricated glucose sensor was characterized amperometrically at room temperature using three electrodes stationed in the phosphate buffer solution, where ZnO NRs/Fe2O3/nafion membrane was the sensing or working electrode, and platinum plate and silver/silver chloride were used as the counter and reference electrodes, respectively. The proposed non-enzymatic and modified glucose sensor exhibited a high sensitivity in the order of 0.052 μA cm-2 (mg/dL)-1, a lower detection limit of around 0.95 mmol L-1, a sharp and fast response time of ˜1 s, and a linear response to changes in glucose concentrations from 100-400 mg dL-1. The linear amperometric response of the sensor covers the physiological and clinical interest of glucose levels for diabetic patients. The device continues to function accurately after multiple measurements with a good reproducibility. The proposed glucose sensor is expected to be used clinically for in vivo monitoring of glucose.

  1. MIL-125-NH2@TiO2 Core-Shell Particles Produced by a Post-Solvothermal Route for High-Performance Photocatalytic H2 Production.

    Science.gov (United States)

    Zhang, Bingxing; Zhang, Jianling; Tan, Xiuniang; Shao, Dan; Shi, Jinbiao; Zheng, Lirong; Zhang, Jing; Yang, Guanying; Han, Buxing

    2018-05-02

    Metal-organic frameworks (MOFs) have proven to be an interesting class of sacrificial precursors of functional inorganic materials for catalysis, energy storage, and conversion applications. However, the controlled synthesis of MOF-derived materials with desirable compositions, structures, and properties still remains a big challenge. Herein, we propose a post-solvothermal route for the outer-to-inner loss of organic linkers from MOF, which is simple, rapid, and controllable and can be operated at temperature much lower than that of the commonly adopted pyrolysis method. By such a strategy, the MIL-125-NH 2 particles coated by TiO 2 nanosheets were produced, and the thickness of TiO 2 shell can be easily tuned. The MIL-125-NH 2 @TiO 2 core-shell particles combine the advantages of highly active TiO 2 nanosheets, MIL-125-NH 2 photosensitizer, plenty of linker defects and oxygen vacancies, and mesoporous structure, which allows them to be utilized as photocatalysts for the visible-light-driven hydrogen production reaction. It is remarkable that the hydrogen evolution rate by MIL-125-NH 2 @TiO 2 can be enhanced 70 times compared with the pristine MIL-125-NH 2 . Such a route can be easily applied to the synthesis of different kinds of MOF-derived functional materials.

  2. Ab initio study of neutral (TiO2)n clusters and their interactions with water and transition metal atoms

    International Nuclear Information System (INIS)

    Çakır, D; Gülseren, O

    2012-01-01

    We have systematically investigated the growth behavior and stability of small stoichiometric (TiO 2 ) n (n = 1-10) clusters as well as their structural, electronic and magnetic properties by using the first-principles plane wave pseudopotential method within density functional theory. In order to find out the ground state geometries, a large number of initial cluster structures for each n has been searched via total energy calculations. Generally, the ground state structures for the case of n = 1-9 clusters have at least one monovalent O atom, which only binds to a single Ti atom. However, the most stable structure of the n = 10 cluster does not have any monovalent O atom. On the other hand, Ti atoms are at least fourfold coordinated for the ground state structures for n ≥ 4 clusters. Our calculations have revealed that clusters prefer to form three-dimensional structures. Furthermore, all these stoichiometric clusters have nonmagnetic ground state. The formation energy and the highest occupied molecular orbital (HOMO)-lowest unoccupied molecular orbital (LUMO) gap for the most stable structure of (TiO 2 ) n clusters for each n have also been calculated. The formation energy and hence the stability increases as the cluster size grows. In addition, the interactions between the ground state structure of the (TiO 2 ) n cluster and a single water molecule have been studied. The binding energy (E b ) of the H 2 O molecule exhibits an oscillatory behavior with the size of the clusters. A single water molecule preferably binds to the cluster Ti atom through its oxygen atom, resulting an average binding energy of 1.1 eV. We have also reported the interaction of the selected clusters (n = 3, 4, 10) with multiple water molecules. We have found that additional water molecules lead to a decrease in the binding energy of these molecules to the (TiO 2 ) n clusters. Finally, the adsorption of transition metal (TM) atoms (V, Co and Pt) on the n = 10 cluster has been

  3. Superficial modifications in TiO2 and Al2O3 ceramics

    Directory of Open Access Journals (Sweden)

    Santos Flávio de Paula

    2003-01-01

    Full Text Available The properties of hydrophilicity or hydrophobicity of materials are defined mainly, though not exclusively, by their composition, morphology and surface energy. In this work, titanium dioxide (TiO2 and aluminum oxide-alumina (Al2O3 ceramics prepared by uniaxial pressing were studied in terms of surface energy. The surfaces of these ceramics were treated with nitrogen plasma, using a stainless steel reactor excited by a 13,6 MHz radio frequency operating at 50 W input power and 13 Pa nitrogen pressure. The surface morphology was investigated by scanning electron microscopy (SEM analysis. Surface energy and contact angle measurements were taken using a RAMÉ-HART goniometer. These measurements were taken as function of time, over a 21-day period. The contact angle and surface energy values were found to change by almost 34% in comparison to their initial values immediately following plasma treatment. Nonetheless, the hydrophilic character of the Al2O3 and TiO2 remained constant throughout the test period.

  4. Three-dimensional hot electron photovoltaic device with vertically aligned TiO2 nanotubes.

    Science.gov (United States)

    Goddeti, Kalyan C; Lee, Changhwan; Lee, Young Keun; Park, Jeong Young

    2018-05-09

    Titanium dioxide (TiO 2 ) nanotubes with vertically aligned array structures show substantial advantages in solar cells as an electron transport material that offers a large surface area where charges travel linearly along the nanotubes. Integrating this one-dimensional semiconductor material with plasmonic metals to create a three-dimensional plasmonic nanodiode can influence solar energy conversion by utilizing the generated hot electrons. Here, we devised plasmonic Au/TiO 2 and Ag/TiO 2 nanodiode architectures composed of TiO 2 nanotube arrays for enhanced photon absorption, and for the subsequent generation and capture of hot carriers. The photocurrents and incident photon to current conversion efficiencies (IPCE) were obtained as a function of photon energy for hot electron detection. We observed enhanced photocurrents and IPCE using the Ag/TiO 2 nanodiode. The strong plasmonic peaks of the Au and Ag from the IPCE clearly indicate an enhancement of the hot electron flux resulting from the presence of surface plasmons. The calculated electric fields and the corresponding absorbances of the nanodiode using finite-difference time-domain simulation methods are also in good agreement with the experimental results. These results show a unique strategy of combining a hot electron photovoltaic device with a three-dimensional architecture, which has the clear advantages of maximizing light absorption and a metal-semiconductor interface area.

  5. Phase stability of TiO2 polymorphs from diffusion Quantum Monte Carlo

    International Nuclear Information System (INIS)

    Luo, Ye; Benali, Anouar; Shulenburger, Luke; Krogel, Jaron T; Heinonen, Olle; Kent, Paul R C

    2016-01-01

    Titanium dioxide, TiO 2 , has multiple applications in catalysis, energy conversion and memristive devices because of its electronic structure. Most of these applications utilize the naturally existing phases: rutile, anatase and brookite. Despite the simple form of TiO 2 and its wide uses, there is long-standing disagreement between theory and experiment on the energetic ordering of these phases that has never been resolved. We present the first analysis of phase stability at zero temperature using the highly accurate many-body fixed node diffusion Quantum Monte Carlo (QMC) method. We also include the effects of temperature by calculating the Helmholtz free energy including both internal energy and vibrational contributions from density functional perturbation theory based quasi harmonic phonon calculations. Our QMC calculations find that anatase is the most stable phase at zero temperature, consistent with many previous mean-field calculations. However, at elevated temperatures, rutile becomes the most stable phase. For all finite temperatures, brookite is always the least stable phase. (paper)

  6. Significance of surface functionalization of Gold Nanorods for reduced effect on IgG stability and minimization of cytotoxicity

    Energy Technology Data Exchange (ETDEWEB)

    Alex, Sruthi Ann; Rajiv, Sundaramoorthy [Centre for Nanobiotechnology, VIT University, Vellore (India); Chakravarty, Sujay [UGC-DAE CSR, Kalpakkam, Node, Kokilamedu (India); Chandrasekaran, N. [Centre for Nanobiotechnology, VIT University, Vellore (India); Mukherjee, Amitava, E-mail: amit.mookerjea@gmail.com [Centre for Nanobiotechnology, VIT University, Vellore (India)

    2017-02-01

    Gold nanorods (AuNRs) used for biomedical applications could be encountered by biomolecules in the bloodstream, of which IgG is the most abundant antibody. With a view to mitigate their side effect on encountered proteins, the effect of Au concentration (5–40 μM) and functionalization (CTAB-positive;PSS-negative; PEG-neutral) of AuNRs was investigated on the stability of a model protein, IgG (1 μM). Electron microscopic images and particle size analyses indicated least aggregation behavior for PEG-AuNRs, which can be correlated to their neutral charge (from zeta potential analyses) or stearic hindrance of PEG chains. Variations in tryptophan domain were probed by UV–visible absorption and fluorescence quenching studies. Synchronous fluorescence study helped to provide information regarding variations in the hydrophobic region of IgG. The denaturation studies also indicated the stability of AuNR–IgG complex formation. These studies showed that positively charged IgG (pI: 7.8 ± 1.0) was mostly affected by negatively charged PSS-AuNRs and least affected by PEG-AuNRs. This was verified by secondary structural investigations performed using CD and FTIR spectroscopy. For cytotoxicity studies on human lymphocytes, CTAB-AuNRs are known to show higher toxicity compared to PSS-AuNRs and PEG-AuNRs (least). Though PSS-functionalized AuNRs were shown to affect cells to a lesser degree based on the negative charge of cell membrane, they could hamper with positively charged biomolecules in the bloodstream before they reach the target, which must also be considered for choosing the right AuNR functionalization. Thus, this work indicates the effect of different AuNR functionalization on protein and cellular toxicity and stresses the necessity to use neutral particles to mitigate their side effect for theranostic applications. - Highlights: • Comprehensive evaluation of AuNR functionalization on protein and cellular toxicity. • Minimizes structural changes in IgG as a

  7. Significance of surface functionalization of Gold Nanorods for reduced effect on IgG stability and minimization of cytotoxicity

    International Nuclear Information System (INIS)

    Alex, Sruthi Ann; Rajiv, Sundaramoorthy; Chakravarty, Sujay; Chandrasekaran, N.; Mukherjee, Amitava

    2017-01-01

    Gold nanorods (AuNRs) used for biomedical applications could be encountered by biomolecules in the bloodstream, of which IgG is the most abundant antibody. With a view to mitigate their side effect on encountered proteins, the effect of Au concentration (5–40 μM) and functionalization (CTAB-positive;PSS-negative; PEG-neutral) of AuNRs was investigated on the stability of a model protein, IgG (1 μM). Electron microscopic images and particle size analyses indicated least aggregation behavior for PEG-AuNRs, which can be correlated to their neutral charge (from zeta potential analyses) or stearic hindrance of PEG chains. Variations in tryptophan domain were probed by UV–visible absorption and fluorescence quenching studies. Synchronous fluorescence study helped to provide information regarding variations in the hydrophobic region of IgG. The denaturation studies also indicated the stability of AuNR–IgG complex formation. These studies showed that positively charged IgG (pI: 7.8 ± 1.0) was mostly affected by negatively charged PSS-AuNRs and least affected by PEG-AuNRs. This was verified by secondary structural investigations performed using CD and FTIR spectroscopy. For cytotoxicity studies on human lymphocytes, CTAB-AuNRs are known to show higher toxicity compared to PSS-AuNRs and PEG-AuNRs (least). Though PSS-functionalized AuNRs were shown to affect cells to a lesser degree based on the negative charge of cell membrane, they could hamper with positively charged biomolecules in the bloodstream before they reach the target, which must also be considered for choosing the right AuNR functionalization. Thus, this work indicates the effect of different AuNR functionalization on protein and cellular toxicity and stresses the necessity to use neutral particles to mitigate their side effect for theranostic applications. - Highlights: • Comprehensive evaluation of AuNR functionalization on protein and cellular toxicity. • Minimizes structural changes in IgG as a

  8. Electrical conductivity characteristic of TiO2 nanowires from hydrothermal method

    International Nuclear Information System (INIS)

    Othman, Mohd Azlishah; Amat, Noor Faridah; Ahmad, Badrul Hisham; Rajan, Jose

    2014-01-01

    One dimensional nanostructures of titanium dioxide (TiO 2 ) were synthesized via hydrothermal method by mixing TiO 2 as precursor in aqueous solution of NaOH as solvent. Then, heat and washing treatment was applied. Thus obtained wires had diameter ∼15 nm. TiO 2 nanowires will be used as a network in solar cell such dye-sensitized solar cell in order to improve the performance of electron movement in the device. To improve the performance of electron movement, the characteristics of TiO 2 nanowires have been analyses using field emission scanning electron microscopy (FESEM) analysis, x-ray diffractometer (XRD) analysis and brunauer emmett teller (BET) analysis. Finally, electrical conductivity of TiO 2 nanowires was determined by measuring the resistance of the TiO 2 nanowires paste on microscope glass.

  9. Optimization of photoelectrochemical water splitting performance on hierarchical TiO 2 nanotube arrays

    KAUST Repository

    Zhang, Z.; Wang, Peng

    2012-01-01

    In this paper, we show that by varying the voltages during two-step anodization the morphology of the hierarchical top-layer/bottom-tube TiO 2 (TiO 2 NTs) can be finely tuned between nanoring/nanotube, nanopore/nanotube, and nanohole-nanocave/nanotube morphologies. This allows us to optimize the photoelectrochemical (PEC) water splitting performance on the hierarchical TiO 2 NTs. The optimized photocurrent density and photoconversion efficiency in this study, occurring on the nanopore/nanotube TiO 2 NTs, were 1.59 mA cm -2 at 1.23 V vs. RHE and 0.84% respectively, which are the highest values ever reported on pristine TiO 2 materials under illumination of AM 1.5G. Our findings contribute to further improvement of the energy conversion efficiency of TiO 2-based devices.

  10. Reflectance spectroscopy from TiO2 particles embedded in polyurethane

    DEFF Research Database (Denmark)

    Gudla, Visweswara Chakravarthy; Canulescu, Stela; Johansen, Villads Egede

    2013-01-01

    This paper presents the results of a physical simulation carried out using TiO2-Polyurethane composite coating on bright aluminium surface to understand the light scattering effect for designing white surfaces. Polyurethane matrix is selected due to the matching refractive index (1.7) with Al2O3...... layer on anodized aluminium surfaces. Three different TiO2 particle distributions were dispersed in polyurethane and spin coated onto high gloss and caustic etched aluminium substrates. Reflectance spectra of TiO2-polyurethane films of various concentrations were analysed using an integrating sphere....... The results show that the TiO2-polyurethane coatings have a high diffuse reflectance as a result of multiple scattering from TiO2 particles. Diffuse reflectance spectra of TiO2 containing films vary weakly with particle concentration and reach a steady state value at a concentration of 0.75 wt.%. Using...

  11. Photodegradation of Reactive Golden Yellow R Dye Catalyzed by Effective Titania (TiO2)

    International Nuclear Information System (INIS)

    Bedurus, E.A.; Marinah Mohd Ariffin; Mohd Hasmizam Razali

    2015-01-01

    In the present research, Microwave Assisted Synthesis (MAS) method was applied to synthesize titania (TiO 2 ) at 150 degree Celsius in a range of 2-6 hours heating time. Each prepared TiO 2 were characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD) and nitrogen gas (N 2 ) sorption analysis (Brunaeur-Emmett-Teller (BET) and Barrett-Joyner-Halenda (BJH) calculation) techniques. The TiO 2 prepared by MAS 150 degree Celsius (4 hours) has emerged with the highest photo catalytic activity. Within 4 hours, the TiO 2 managed to catalyze the degradation of Reactive Golden Yellow R dye up to 98.51 %. This is because of the TiO 2 possessed high crystallinity of anatase phase, small crystallite size and high pore volume compared to other prepared TiO 2 . (author)

  12. Optimization of photoelectrochemical water splitting performance on hierarchical TiO 2 nanotube arrays

    KAUST Repository

    Zhang, Z.

    2012-02-10

    In this paper, we show that by varying the voltages during two-step anodization the morphology of the hierarchical top-layer/bottom-tube TiO 2 (TiO 2 NTs) can be finely tuned between nanoring/nanotube, nanopore/nanotube, and nanohole-nanocave/nanotube morphologies. This allows us to optimize the photoelectrochemical (PEC) water splitting performance on the hierarchical TiO 2 NTs. The optimized photocurrent density and photoconversion efficiency in this study, occurring on the nanopore/nanotube TiO 2 NTs, were 1.59 mA cm -2 at 1.23 V vs. RHE and 0.84% respectively, which are the highest values ever reported on pristine TiO 2 materials under illumination of AM 1.5G. Our findings contribute to further improvement of the energy conversion efficiency of TiO 2-based devices.

  13. Engineering of highly ordered TiO2 nanopore arrays by anodization

    Science.gov (United States)

    Wang, Huijie; Huang, Zhennan; Zhang, Li; Ding, Jie; Ma, Zhaoxia; Liu, Yong; Kou, Shengzhong; Yang, Hangsheng

    2016-07-01

    Finite element analysis was used to simulate the current density distributions in the TiO2 barrier layer formed at the initial stage of Ti anodization. The morphology modification of the barrier layer was found to induce current density distribution change. By starting the anodization with proper TiO2 barrier layer morphology, the current density distribution can be adjusted to favor the formation of either nanotube arrays or nanopore arrays of anodic TiO2. We also found that the addition of sodium acetate into the electrolyte suppressed both the field-assisted chemical dissolution of TiO2 and the TiF62- hydrolysis induced TiO2 deposition during anodization, and thus further favored the nanopore formation. Accordingly, highly ordered anodic TiO2 nanopore arrays, similar to anodic aluminum oxide nanopore arrays, were successfully prepared.

  14. XRD analysis of undoped and Fe doped TiO2 nanoparticles by Williamson Hall method

    International Nuclear Information System (INIS)

    Bharti, Bandna; Barman, P. B.; Kumar, Rajesh

    2015-01-01

    Undoped and Fe doped titanium dioxide (TiO 2 ) nanoparticles were synthesized by sol-gel method at room temperature. The synthesized samples were annealed at 500°C. For structural analysis, the prepared samples were characterized by X-ray diffraction (XRD). The crystallite size of TiO 2 and Fe doped TiO 2 nanoparticles were calculated by Scherer’s formula, and was found to be 15 nm and 11 nm, respectively. Reduction in crystallite size of TiO 2 with Fe doping was observed. The anatase phase of Fe-doped TiO 2 nanoparticles was also confirmed by X-ray diffraction. By using Williamson-Hall method, lattice strain and crystallite size were also calculated. Williamson–Hall plot indicates the presence of compressive strain for TiO 2 and tensile strain for Fe-TiO 2 nanoparticles annealed at 500°C

  15. Effect of surface ethoxy groups on photoactivity of TiO2 nanocrystals

    International Nuclear Information System (INIS)

    Tian Lihong; Deng Kejian; Ye Liqun; Zan Lin

    2011-01-01

    TiO 2 nanocrystals modified by ethoxy groups were prepared by a facile nonhydrolytic solvothermal method and characterized by XRD, TEM, TG-DTA and XPS, which showed an enhanced visible-light photocatalytic activity on the degradation of Rhodamine B compared with TiO 2 modified by benzyloxy groups and the 'naked' TiO 2 . The adsorption and degradation pathway of Rhodamine B on TiO 2 modified by ethoxy groups were also investigated. The zeta-potential (ζ) results showed that the TiO 2 modified by ethoxy groups had high negative surface charge, which incited the positive -N(Et) 2 group of RhB absorbing on the TiO 2 surface and preferably led the N-dealkylation pathway under visible light irradiation.

  16. An innovative approach to synthesize highly-ordered TiO2 nanotubes.

    Science.gov (United States)

    Isimjan, Tayirjan T; Yang, D Q; Rohani, Sohrab; Ray, Ajay K

    2011-02-01

    An innovative route to prepare highly-ordered and dimensionally controlled TiO2 nanotubes has been proposed using a mild sonication method. The nanotube arrays were prepared by the anodization of titanium in an electrolyte containing 3% NH4F and 5% H2O in glycerol. It is demonstrated that the TiO2 nanostructures has two layers: the top layer is TiO2 nanowire and underneath is well-ordered TiO2 nanotubes. The top layer can easily fall off and form nanowires bundles by implementing a mild sonication after a short annealing time. We found that the dimensions of the TiO2 nanotubes were only dependent on the anodizing condition. The proposed technique may be extended to fabricate reproducible well-ordered TiO2 nanotubes with large area on other metals.

  17. Graphene-enhanced Raman imaging of TiO2 nanoparticles

    International Nuclear Information System (INIS)

    Naumenko, Denys; Snitka, Valentinas; Snopok, Boris; Arpiainen, Sanna; Lipsanen, Harri

    2012-01-01

    The interaction of anatase titanium dioxide (TiO 2 ) nanoparticles with chemical vapour deposited graphene sheets transferred on glass substrates is investigated by using atomic force microscopy, Raman spectroscopy and imaging. Significant electronic interactions between the nanoparticles of TiO 2 and graphene were found. The changes in the graphene Raman peak positions and intensity ratios indicate that charge transfer between graphene and TiO 2 nanoparticles occurred, increasing the Raman signal of the TiO 2 nanoparticles up to five times. The normalized Raman intensity of TiO 2 nanoparticles per their volume increased with the disorder of the graphene structure. The complementary reason for the observed enhancement is that due to the higher density of states in the defect sites of graphene, a higher electron transfer occurs from the graphene to the anatase TiO 2 nanoparticles. (paper)

  18. Enhanced photoelectrochemical and photocatalytic activity of WO3-surface modified TiO2 thin film

    Science.gov (United States)

    Qamar, Mohammad; Drmosh, Qasem; Ahmed, Muhammad I.; Qamaruddin, Muhammad; Yamani, Zain H.

    2015-02-01

    Development of nanostructured photocatalysts for harnessing solar energy in energy-efficient and environmentally benign way remains an important area of research. Pure and WO3-surface modified thin films of TiO2 were prepared by magnetron sputtering on indium tin oxide glass, and photoelectrochemical and photocatalytic activities of these films were studied. TiO2 particles were <50 nm, while deposited WO3 particles were <20 nm in size. An enhancement in the photocurrent was observed when the TiO2 surface was modified WO3 nanoparticles. Effect of potential, WO3 amount, and radiations of different wavelengths on the photoelectrochemical activity of TiO2 electrodes was investigated. Photocatalytic activity of TiO2 and WO3-modified TiO2 for the decolorization of methyl orange was tested.

  19. 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.

  20. Ammonia Sensing Behaviors of TiO2-PANI/PA6 Composite Nanofibers

    Directory of Open Access Journals (Sweden)

    Fenglin Huang

    2012-12-01

    Full Text Available Titanium dioxide-polyaniline/polyamide 6 (TiO2-PANI/PA6 composite nanofibers were prepared by in situ polymerization of aniline in the presence of PA6 nanofibers and a sputtering-deposition process with a high purity titanium sputtering target. TiO2-PANI/PA6 composite nanofibers and PANI/PA6 composite nanofibers were fabricated for ammonia gas sensing. The ammonia sensing behaviors of the sensors were examined at room temperature. All the results indicated that the ammonia sensing property of TiO2-PANI/PA6 composite nanofibers was superior to that of PANI/PA6 composite nanofibers. TiO2-PANI/PA6 composite nanofibers had good selectivity to ammonia. It was also found that the content of TiO2 had a great influence on both the morphology and the sensing property of TiO2-PANI/PA6 composite nanofibers.

  1. Eco-friendly synthesis of TiO2, Au and Pt doped TiO2 nanoparticles for dye sensitized solar cell applications and evaluation of toxicity

    Science.gov (United States)

    Gopinath, K.; Kumaraguru, S.; Bhakyaraj, K.; Thirumal, S.; Arumugam, A.

    2016-04-01

    Driven by the demand of pure TiO2, Au and Pt doped TiO2 NPs were successfully synthesized using Terminalia arjuna bark extract. The eco-friendly synthesized NPs were characterized by UV-Vis-DRS, ATR-FT-IR, PL, XRD, Raman, SEM with EDX and TEM analysis. The synthesized NPs were investigation for dye sensitized solar cell applications. UV-Vis-Diffused Reflectance Spectra clearly showed that the expected TiO2 inter band absorption below 306 nm, incorporation of gold shows surface plasma resonant (SPR) near 555 nm and platinum incorporated TiO2 NPs shows absorbance at 460 nm. The energy conversion efficiency for Au doped TiO2 NPs when compared to pure and Pt doped TiO2 NPs. In addition to that, Au noble metal present TiO2 matrix and an improve open-circuit voltage (Voc) of DSSC. Synthesized NPs was evaluated into antibacterial and antifungal activities by disk diffusion method. It is observed that NPs have not shown any activities in all tested bacterial and fungal strains. In this eco-friendly synthesis method to provide non toxic and environmental friendly nanomaterials can be used for solar energy device application.

  2. TiO2 nanofiber solid-state dye sensitized solar cells with thin TiO2 hole blocking layer prepared by atomic layer deposition

    International Nuclear Information System (INIS)

    Li, Jinwei; Chen, Xi; Xu, Weihe; Nam, Chang-Yong; Shi, Yong

    2013-01-01

    We incorporated a thin but structurally dense TiO 2 layer prepared by atomic layer deposition (ALD) as an efficient hole blocking layer in the TiO 2 nanofiber based solid-state dye sensitized solar cell (ss-DSSC). The nanofiber ss-DSSCs having ALD TiO 2 layers displayed increased open circuit voltage, short circuit current density, and power conversion efficiency compared to control devices with blocking layers prepared by spin-coating liquid TiO 2 precursor. We attribute the improved photovoltaic device performance to the structural integrity of ALD-coated TiO 2 layer and consequently enhanced hole blocking effect that results in reduced dark leakage current and increased charge carrier lifetime. - Highlights: • TiO 2 blocking locking layer prepared by atomic layer deposition (ALD) method. • ALD-coated TiO 2 layer enhanced hole blocking effect. • ALD blocking layer improved the voltage, current and efficiency. • ALD blocking layer reduced dark leakage current and increased electron lifetime

  3. Fabrication of high aspect ratio TiO2 and Al2O3 nanogratings by atomic layer deposition

    DEFF Research Database (Denmark)

    Shkondin, Evgeniy; Takayama, Osamu; Michael-Lindhard, Jonas

    2016-01-01

    The authors report on the fabrication of TiO2 and Al2O3 nanostructured gratings with an aspect ratio of up to 50. The gratings were made by a combination of atomic layer deposition (ALD) and dry etch techniques. The workflow included fabrication of a Si template using deep reactive ion etching...... spectroscopy. The approach presented opens the possibility to fabricate high quality optical metamaterials and functional nanostructures....

  4. Engineering the TiO2 -graphene interface to enhance photocatalytic H2 production.

    Science.gov (United States)

    Liu, Lichen; Liu, Zhe; Liu, Annai; Gu, Xianrui; Ge, Chengyan; Gao, Fei; Dong, Lin

    2014-02-01

    In this work, TiO2 -graphene nanocomposites are synthesized with tunable TiO2 crystal facets ({100}, {101}, and {001} facets) through an anion-assisted method. These three TiO2 -graphene nanocomposites have similar particle sizes and surface areas; the only difference between them is the crystal facet exposed in TiO2 nanocrystals. UV/Vis spectra show that band structures of TiO2 nanocrystals and TiO2 -graphene nanocomposites are dependent on the crystal facets. Time-resolved photoluminescence spectra suggest that the charge-transfer rate between {100} facets and graphene is approximately 1.4 times of that between {001} facets and graphene. Photoelectrochemical measurements also confirm that the charge-separation efficiency between TiO2 and graphene is greatly dependent on the crystal facets. X-ray photoelectron spectroscopy reveals that Ti-C bonds are formed between {100} facets and graphene, while {101} facets and {001} facets are connected with graphene mainly through Ti-O-C bonds. With Ti-C bonds between TiO2 and graphene, TiO2 -100-G shows the fastest charge-transfer rate, leading to higher activity in photocatalytic H2 production from methanol solution. TiO2 -101-G with more reductive electrons and medium interfacial charge-transfer rate also shows good H2 evolution rate. As a result of its disadvantageous electronic structure and interfacial connections, TiO2 -001-G shows the lowest H2 evolution rate. These results suggest that engineering the structures of the TiO2 -graphene interface can be an effective strategy to achieve excellent photocatalytic performances. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Synthesis of Various Metal/TiO2 Core/shell Nanorod Arrays

    Science.gov (United States)

    Zhu, Wei; Wang, Guan-zhong; Hong, Xun; Shen, Xiao-shuang

    2011-02-01

    We present a general approach to fabricate metal/TiO2 core/shell nanorod structures by two-step electrodeposition. Firstly, TiO2 nanotubes with uniform wall thickness are prepared in anodic aluminum oxide (AAO) membranes by electrodeposition. The wall thickness of the nanotubes could be easily controlled by modulating the deposition time, and their outer diameter and length are only limited by the channel diameter and the thickness of the AAO membranes, respectively. The nanotubes' tops prepared by this method are open, while the bottoms are connected directly with the Au film at the back of the AAO membranes. Secondly, Pd, Cu, and Fe elements are filled into the TiO2 nanotubes to form core/shell structures. The core/shell nanorods prepared by this two-step process are high density and free-standing, and their length is dependent on the deposition time.

  6. Characterization of manufactured TiO2 nanoparticles

    Science.gov (United States)

    Motzkus, C.; Macé, T.; Vaslin-Reimann, S.; Ausset, P.; Maillé, M.

    2013-04-01

    Technological advances in nanomaterials have allowed the development of new applications in industry, increasing the probability of finding airborne manufactured and engineered nano-objects in the workplace, as well as in ambient air. Scientific studies on health and environmental risks have indicated that airborne nano-objects in ambient air have potential adverse effects on the health of exposed workers and the general population. For regulatory purposes, ambient measurements of particulate matter are based on the determination of mass concentrations for PM10 and PM2.5, as regulated in the European Directive 2008/50/EC. However, this legislation is not suitable for airborne manufactured and engineered nano-objects. Parameters characterising ultrafine particles, such as particle number concentration and size distribution, are under consideration for future health-based legislation, to monitor workplaces and to control industrial processes. Currently, there are no existing regulations covering manufactured airborne nano-objects. There is therefore a clear, unaddressed need to focus on the toxicology and exposure assessment of nano-objects such as titanium dioxide (TiO2), which are manufactured and engineered in large quantities in industry. To perform reliable toxicology studies it is necessary to determine the relevant characteristics of nano-objects, such as morphology, surface area, agglomeration, chemical composition, particle size and concentration, by applying traceable methods. Manufacturing of nanomaterials, and their use in industrial applications, also require traceable characterisation of the nanomaterials, particularly for quality control of the process. The present study arises from the OECD WPMN sponsorship programme, supported by the French Agency for Environmental and Occupational Health Safety (ANSES), in order to develop analytical methods for the characterization of TiO2 nanoparticles in size and count size distribution, based on different techniques to characterize five different manufactured TiO2 nanoparticles. In this study, different measurement techniques have been implemented: Transmission Electron Microscopy (TEM), Scanning Mobility Particle Sizer (SMPS) and Aerodynamic Particle Sizer (APS). The TEM results lead to a relatively good agreement between data from the manufacturer and our characterizations of primary particle size. With regard to the dustiness, the results show a strong presence of agglomerates / aggregates of primary particles and a significant presence of emitted airborne nanoparticles with a diameter below 100 nm (composed of isolated primary particles and small aggregates / agglomerates formed from a few primary particles): the number proportion of these particles varies from 0 to 44 % in the measurement range 14-360 nm depending on the types of powders and corrections of measurements.

  7. Characterization of manufactured TiO2 nanoparticles

    International Nuclear Information System (INIS)

    Motzkus, C; Macé, T; Vaslin-Reimann, S; Ausset, P; Maillé, M

    2013-01-01

    Technological advances in nanomaterials have allowed the development of new applications in industry, increasing the probability of finding airborne manufactured and engineered nano-objects in the workplace, as well as in ambient air. Scientific studies on health and environmental risks have indicated that airborne nano-objects in ambient air have potential adverse effects on the health of exposed workers and the general population. For regulatory purposes, ambient measurements of particulate matter are based on the determination of mass concentrations for PM10 and PM2.5, as regulated in the European Directive 2008/50/EC. However, this legislation is not suitable for airborne manufactured and engineered nano-objects. Parameters characterising ultrafine particles, such as particle number concentration and size distribution, are under consideration for future health-based legislation, to monitor workplaces and to control industrial processes. Currently, there are no existing regulations covering manufactured airborne nano-objects. There is therefore a clear, unaddressed need to focus on the toxicology and exposure assessment of nano-objects such as titanium dioxide (TiO 2 ), which are manufactured and engineered in large quantities in industry. To perform reliable toxicology studies it is necessary to determine the relevant characteristics of nano-objects, such as morphology, surface area, agglomeration, chemical composition, particle size and concentration, by applying traceable methods. Manufacturing of nanomaterials, and their use in industrial applications, also require traceable characterisation of the nanomaterials, particularly for quality control of the process. The present study arises from the OECD WPMN sponsorship programme, supported by the French Agency for Environmental and Occupational Health Safety (ANSES), in order to develop analytical methods for the characterization of TiO 2 nanoparticles in size and count size distribution, based on different techniques to characterize five different manufactured TiO 2 nanoparticles. In this study, different measurement techniques have been implemented: Transmission Electron Microscopy (TEM), Scanning Mobility Particle Sizer (SMPS) and Aerodynamic Particle Sizer (APS). The TEM results lead to a relatively good agreement between data from the manufacturer and our characterizations of primary particle size. With regard to the dustiness, the results show a strong presence of agglomerates / aggregates of primary particles and a significant presence of emitted airborne nanoparticles with a diameter below 100 nm (composed of isolated primary particles and small aggregates / agglomerates formed from a few primary particles): the number proportion of these particles varies from 0 to 44 % in the measurement range 14-360 nm depending on the types of powders and corrections of measurements.

  8. The effects of nanostructures on the mechanical and tribological properties of TiO2 nanotubes

    Science.gov (United States)

    Yoon, Yeoungchin; Park, Jeongwon

    2018-04-01

    TiO2 nanotubes were prepared by anodization on Ti substrates with a diameter variation of 30-100 nm, and the structure of the nanotubes were studied using x-ray diffraction and Raman spectroscopy, which confirmed the structure changes from the anatase phase to the rutile phase of TiO2 at a diameter below 50 nm. The tribological behaviors of TiO2 nanotubes were investigated with different diameters. The effectiveness of the rutile phase and the diameter size enhanced the frictional performance of TiO2 nanotubes.

  9. Annealing of TiO2 Films Deposited on Si by Irradiating Nitrogen Ion Beams

    International Nuclear Information System (INIS)

    Yokota, Katsuhiro; Yano, Yoshinori; Miyashita, Fumiyoshi

    2006-01-01

    Thin TiO2 films were deposited on Si at a temperature of 600 deg. C by an ion beam assisted deposition (IBAD) method. The TiO2 films were annealed for 30 min in Ar at temperatures below 700 deg. C. The as-deposited TiO2 films had high permittivities such 200 εo and consisted of crystallites that were not preferentially oriented to the c-axis but had an expanded c-axis. On the annealed TiO2 films, permittivities became lower with increasing annealing temperature, and crystallites were oriented preferentially to the (110) plane

  10. Synthesis of Nd3+doped TiO2 nanoparticles and Its Optical Behaviour

    Directory of Open Access Journals (Sweden)

    Ezhil Arasi S.

    2017-04-01

    Full Text Available Pure and Rare earth ion doped TiO2 nanoparticles were synthesized by Sol-gel method. The synthesized TiO2 nanoparticles were characterized by X-ray diffraction, Raman spectroscopy, UV–Vis spectroscopy and photoluminescence emission spectra. From the UV-visible measurement, the absorption edge of Nd3+-TiO2 was shifted to a higher wavelength side with decreasing band gap. Photoluminescence emission studies reveal the energy transfer mechanism of Nd3+ doped TiO2 nanoparticles explain.

  11. Defective TiO2 with oxygen vacancies: synthesis, properties and photocatalytic applications

    Science.gov (United States)

    Pan, Xiaoyang; Yang, Min-Quan; Fu, Xianzhi; Zhang, Nan; Xu, Yi-Jun

    2013-04-01

    Titanium dioxide (TiO2), as an important semiconductor metal oxide, has been widely investigated in the field of photocatalysis. The properties of TiO2, including its light absorption, charge transport and surface adsorption, are closely related to its defect disorder, which in turn plays a significant role in the photocatalytic performance of TiO2. Among all the defects identified in TiO2, oxygen vacancy is one of the most important and is supposed to be the prevalent defect in many metal oxides, which has been widely investigated both by theoretical calculations and experimental characterizations. Here, we give a short review on the existing strategies for the synthesis of defective TiO2 with oxygen vacancies, and the defect related properties of TiO2 including structural, electronic, optical, dissociative adsorption and reductive properties, which are intimately related to the photocatalytic performance of TiO2. In particular, photocatalytic applications with regard to defective TiO2 are outlined. In addition, we offer some perspectives on the challenge and new direction for future research in this field. We hope that this tutorial minireview would provide some useful contribution to the future design and fabrication of defective semiconductor-based nanomaterials for diverse photocatalytic applications.Titanium dioxide (TiO2), as an important semiconductor metal oxide, has been widely investigated in the field of photocatalysis. The properties of TiO2, including its light absorption, charge transport and surface adsorption, are closely related to its defect disorder, which in turn plays a significant role in the photocatalytic performance of TiO2. Among all the defects identified in TiO2, oxygen vacancy is one of the most important and is supposed to be the prevalent defect in many metal oxides, which has been widely investigated both by theoretical calculations and experimental characterizations. Here, we give a short review on the existing strategies for the synthesis of defective TiO2 with oxygen vacancies, and the defect related properties of TiO2 including structural, electronic, optical, dissociative adsorption and reductive properties, which are intimately related to the photocatalytic performance of TiO2. In particular, photocatalytic applications with regard to defective TiO2 are outlined. In addition, we offer some perspectives on the challenge and new direction for future research in this field. We hope that this tutorial minireview would provide some useful contribution to the future design and fabrication of defective semiconductor-based nanomaterials for diverse photocatalytic applications. Electronic supplementary information (ESI) available. See DOI: 10.1039/c3nr00476g

  12. Enhancing lipid productivity of Chlorella vulgaris using oxidative stress by TiO2 nanoparticles

    International Nuclear Information System (INIS)

    Kang, Nam Kyu; Lee, Bongsoo; Choi, Gang-Guk; Moon, Myounghoon; Park, Min S.; Yang, Ji-Won; Lim, JitKang

    2014-01-01

    Ability to increase the lipid production in microalgae is one of the heavily sought-after ideas to improve the economic feasibility of microalgae-derived transportation fuels for commercial applications. We used the oxidative stress by TiO 2 nanoparticles, a well-known photocatalyst, to induce lipid production in microalgae. Chlorella vulgaris UTEX 265 was cultivated under various concentrations of TiO 2 ranging from 0.1 to 5 g/L under UV-A illumination. Maximum specific growth rate was affected in responding to TiO 2 concentrations. In the presence of UV-A, chlorophyll concentration was decreased at the highest concentration of TiO 2 (5 g/L TiO 2 ) by oxidative stress. The fatty acid methyl ester (FAME) composition analysis suggested that oxidative stress causes the accumulation and decomposition of lipids. The highest FAME productivity was 18.2 g/L/d under low concentrations of TiO 2 (0.1 g/L) and a short induction time (two days). The controlled condition of TiO 2 /UV-A inducing oxidative stress (0.1 g/L TiO 2 and two days induction) could be used to increase the lipid productivity of C. vulgaris UTEX 265. Our results show the possibility of modulating the lipid induction process through oxidative stress with TiO 2 /UV-A

  13. Preparation and characterization of nanocrystalline porous TiO2/WO3 composite thin films

    International Nuclear Information System (INIS)

    Hsu, C.-S.; Lin, C.-K.; Chan, C.-C.; Chang, C.-C.; Tsay, C.-Y.

    2006-01-01

    TiO 2 materials possessing not only photocatalytic but also electrochromic properties have attracted many research and development interests. Though WO 3 exhibits excellent electrochromic properties, the much higher cost and water-sensitivity of WO 3 as compared with the TiO 2 may restrict the practical application of WO 3 materials. In the present study, the feasibility of preparing nanocrystalline porous TiO 2 /WO 3 composite thin films was investigated. Precursors of sols TiO 2 and/or WO 3 and polystyrene microspheres were used to prepare nanocrystalline pure TiO 2 , WO 3 , and composite TiO 2 /WO 3 thin films by spin coating. The spin-coated thin films were amorphous and, after heat treating at a temperature of 500 o C, nanocrystalline TiO 2 , TiO 2 /WO 3 , and WO 3 thin films with or without pores were prepared successfully. The heat-treated thin films were colorless and coloration-bleaching phenomena can be observed during cyclic voltammetry tests. The heat-treated thin films exhibited good reversible electrochromic behavior while the porous TiO 2 /WO 3 composite film exhibited improved electrochromic properties

  14. Flow-Regulated Growth of Titanium Dioxide (TiO2 ) Nanotubes in Microfluidics.

    Science.gov (United States)

    Fan, Rong; Chen, Xinye; Wang, Zihao; Custer, David; Wan, Jiandi

    2017-08-01

    Electrochemical anodization of titanium (Ti) in a static, bulk condition is used widely to fabricate self-organized TiO 2 nanotube arrays. Such bulk approaches, however, require extended anodization times to obtain long TiO 2 nanotubes and produce only vertically aligned nanotubes. To date, it remains challenging to develop effective strategies to grow long TiO 2 nanotubes in a short period of time, and to control the nanotube orientation. Here, it is shown that the anodic growth of TiO 2 nanotubes is significantly enhanced (≈16-20 times faster) under flow conditions in microfluidics. Flow not only controls the diameter, length, and crystal orientations of TiO 2 nanotubes, but also regulates the spatial distribution of nanotubes inside microfluidic devices. Strikingly, when a Ti thin film is deposited on silicon substrates and anodized in microfluidics, both vertically and horizontally aligned (relative to the bottom substrate) TiO 2 nanotubes can be produced. The results demonstrate previously unidentified roles of flow in the regulation of growth of TiO 2 nanotubes, and provide powerful approaches to effectively grow long, oriented TiO 2 nanotubes, and construct hierarchical TiO 2 nanotube arrays on silicon-based materials. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. One-component solution system to prepare nanometric anatase TiO2

    International Nuclear Information System (INIS)

    Trung, Tran; Ha, Chang-Sik

    2004-01-01

    A novel one-pot synthesis route was proposed to prepare nanometric anatase TiO 2 using trichloroethylene as reaction medium, which may have great advantage over multicomponent solution systems when TiO 2 is used as a reinforcing filler for polymers dissolved in trichloroethylene. The anatase TiO 2 nanoparticles were characterized using X-ray diffraction (XRD), scanning electron microscopy and small-angle X-ray scattering (SAXS). It was found that the diameters of TiO 2 nanoparticles are in the range from 5 to 13 nm

  16. 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.

  17. Superhydrophobicity construction with dye-sensitised TiO2 on fabric surface for both oil/water separation and water bulk contaminants purification

    Science.gov (United States)

    Yu, Linfeng; Zhang, Shengmiao; Zhang, Meng; Chen, Jianding

    2017-12-01

    For the promising material for both oil/water separation and water-soluble contaminants, the Dye@TiO2-TEOS/VTEO hybrid modified polyester fabric is developed by a simple dip-coating process, which combines Dye-sensitised TiO2 with silicon contained superhydrophobic coating to guarantee the long-term stability of Dye-sensitised TiO2 system as well as material's sustainability. The modified fabric possesses selective oil/water seperation properties towards water and oil, besides, mechanical, acid and alkali durability shows this material's appropriate performance on oil/water separation. UV-Vis absorption spectrum reveals the Dye 4-(2H-imidazol-2-ylazo) benzoic acid could sensitize the semiconductor TiO2 for visible light catalytic organic pollutant degradation that is also confirmed by methylene blue degradation experiment. Density Functional calculation (DFT) witnesses that HOMO, HOMO-1 of Dye contributed by oxygen bonding to TiO2 can insert into TiO2 band gap and result in low energy electron excitation. The ability of oil/water separation and water-soluble contaminants purification provides the material opportunity to practical applications in environmental restoration and human life.

  18. Degradation of selected industrial dyes using Mg-doped TiO2 polyscales under natural sun light as an alternative driving energy

    Science.gov (United States)

    Shivaraju, H. P.; Midhun, G.; Anil Kumar, K. M.; Pallavi, S.; Pallavi, N.; Behzad, Shahmoradi

    2017-11-01

    Designing photocatalytic materials with modified functionalities for the utilization of renewable energy sources as an alternative driving energy has attracted much attention in the area of sustainable wastewater treatment applications. Catalyst-assisted advanced oxidation process is an emerging treatment technology for organic pollutants and toxicants in industrial wastewater. Preparation of visible-light-responsive photocatalyst such as Mg-doped TiO2 polyscales was carried out under mild sol-gel technique. Mg-doped TiO2 polyscales were characterized by powder XRD, SEM, FTIR, and optical and photocatalytic activity techniques. The Mg-doped TiO2 showed a mixed phase of anatase and rutile with an excellent crystallinity, structural elucidations, polyscales morphology, consequent shifting of bandgap energy and adequate photocatalytic activities under visible range of light. Mg-doped TiO2 polyscales were investigated for their efficiencies in the degradation of most commonly used industrial dyes in the real-time textile wastewater. Mg-doped TiO2 polyscales showed excellent photocatalytic degradation efficiency in both model industrial dyes (65-95%) and textile wastewater (92%) under natural sunlight as an alternative and renewable driving energy.

  19. A fast and effective method for N-doping TiO2 by post treatment with liquid ammonia: visible light photocatalysis

    International Nuclear Information System (INIS)

    Powell, Michael J.; Palgrave, Robert G.; Dunnill, Charles W.; Parkin, Ivan P.

    2014-01-01

    TiO 2 thin films prepared by sol–gel synthesis were N-doped by post treating with liquid ammonia and annealing at 500 °C. Characterisation by X-ray diffraction and Raman spectroscopy confirmed that the anatase crystal type was retained and present in all samples. Scanning electron microscopy showed that treatment with liquid ammonia had no significant effect on the film morphology. Functional testing under filtered while light conditions involving water contact angle, and the photo destruction of both Resazurin and Stearic acid showed the ammonia treated samples to be active visible light photocatalysts in contrast to the pure TiO 2 and the blank controls. X-ray Photoelectron Spectroscopy studies indicate the presence of interstitial nitrogen (N 1s = 400 eV) suggesting that the origin of the enhanced photocatalytic activity is most likely due to oxygen vacancies created by the interstitial nitrogen incorporation. This synthesis method utilises a simple, inexpensive and highly effective post treatment route to N-dope TiO 2 and produces visible light photocatalysts with potential applications in self-cleaning and healthcare environments. - Highlights: • Synthesis and characterisation of N-doped TiO 2 thin films • N-doping by a post treatment with liquid ammonia • Enhanced photocatalytic activity • Easy enhancement of current TiO 2 based technologies

  20. Incorporating TiO2 nanotubes with a peptide of D-amino K122-4 (D) for enhanced mechanical and photocatalytic properties

    Science.gov (United States)

    Guo, L. Q.; Hu, Y. W.; Yu, B.; Davis, E.; Irvin, R.; Yan, X. G.; Li, D. Y.

    2016-02-01

    Titanium dioxide (TiO2) nanotubes are promising for a wide variety of potential applications in energy, biomedical and environmental sectors. However, their low mechanical strength and wide band gap limit their widespread technological use. This article reports our recent efforts to increase the mechanical strength of TiO2 nanotubes with lowered band gap by immobilizing a peptide of D-amino K122-4 (D) onto the nanotubes. Topographies and chemical compositions of the peptide-coated and uncoated TiO2 nanotubular arrays were characterized by scanning electron microscopy and X-ray photoelectron spectroscopy (XPS). Properties of the peptide-coated and uncoated TiO2 nanotubular arrays, including hardness, elastic modulus, electron work function and photocurrent, were evaluated using micromechanical probe, Kelvin Probe and electrochemical system. Effect of the peptide on surface conductivity was also investigated through current mapping and I-V curve analysis with conductive atomic force microscopy. It is demonstrated that the peptide coating simultaneously enhances the mechanical strength, photocatalytic and electrical properties of TiO2 nanotubes.

  1. Unique bar-like sulfur-doped C3N4/TiO2 nanocomposite: Excellent visible light driven photocatalytic activity and mechanism study

    Science.gov (United States)

    Zhao, Yu; Xu, Shiping; Sun, Xiang; Xu, Xing; Gao, Baoyu

    2018-04-01

    In this work, a nanocomposite of TiO2 nanoparticles coupled with sulfur-doped C3N4 (S-C3N4) laminated layer was successfully fabricated using a facile impregnation method and the nanocomposite exhibited superior photocatalytic activity in pollutant removal under visible light irradiation, compared to bare TiO2, g-C3N4 and binary C3N4-TiO2 nanocomposite. The enhanced photocatalytic activity was benefited from the efficient migration and transformation of electron-hole (e--h+) pairs, improved visible light absorption capability, and relatively large specific surface area induce by sulfur doping. Interestingly, the introduction of sulfur changes regulated the morphology of g-C3N4 leading to the formation of ultrathin g-C3N4 layer nanosheet assemblies and unique bar-like g-C3N4/TiO2 nanocomposite, which is beneficial for the outstanding performance of the product. In addition, trapping experiment was carried out to identify the main active species in the photocatalytic reaction over the S-C3N4/TiO2 photocatalyst, and functional mechanism of the composite was proposed. This work may provide new ideas for the fabrication and utilization of highly efficient photocatalyst with excellent visible light response in environmental purification applications.

  2. Recent Progress in Dye-Sensitized Solar Cells for Improving Efficiency: TiO2 Nanotube Arrays in Active Layer

    Directory of Open Access Journals (Sweden)

    Won-Yeop Rho

    2015-01-01

    Full Text Available Dye-sensitized solar cells (DSSCs have been widely studied due to several advantages, such as low cost-to-performance ratio, low cost of fabrication, functionality at wide angles and low intensities of incident light, mechanical robustness, and low weight. This paper summarizes the recent progress in DSSC technology for improving efficiency, focusing on the active layer in the photoanode, with a part of the DSSC consisting of dyes and a TiO2 film layer. In particular, this review highlights a huge pool of studies that report improvements in the efficiency of DSSCs using TiO2 nanotubes, which exhibit better electron transport. Finally, this paper suggests opportunities for future research.

  3. Structural, morphological and local electric properties of TiO2 thin films grown by pulsed laser deposition

    International Nuclear Information System (INIS)

    Gyoergy, E; Pino, A Perez del; Sauthier, G; Figueras, A; Alsina, F; Pascual, J

    2007-01-01

    Titanium dioxide (TiO 2 ) thin films were synthesized on (1 0 0) Si substrates by reactive pulsed laser deposition (PLD) technique. A frequency quadrupled Nd : YAG (λ = 266 nm, τ FWHM ≅ 5 ns, ν = 10 Hz) laser source was used for the irradiations of metallic Ti targets. The experiments were performed in controlled oxygen atmosphere. Crystallinity, surface morphology and local electric properties of the obtained oxide thin films were investigated by x-ray diffractometry, micro-Raman spectroscopy and current sensing atomic force microscopy. An inter-relation was found between the surface morphology, the crystalline structure and the nano-scale electric properties which open the possibility of synthesizing by the PLD technique TiO 2 thin films with tunable functional properties for future applications such as photocatalysts, gas sensors or solar energy converters

  4. The interplay between dopants and oxygen vacancies in the magnetism of V-doped TiO2

    KAUST Repository

    Grau-Crespo, Ricardo

    2011-08-03

    Density functional theory calculations indicate that the incorporation of V into Ti lattice positions of rutile TiO2 leads to magnetic V 4 + species, but the extension and sign of the coupling between dopant moments confirm that ferromagnetic order cannot be reached via low-concentration doping in the non-defective oxide. Oxygen vacancies can introduce additional magnetic centres, and we show here that one of the effects of vanadium doping is to reduce the formation energies of these defects. In the presence of both V dopants and O vacancies all the spins tend to align with the same orientation. We conclude that V doping favours the ferromagnetic behaviour of TiO2 not only by introducing spins associated with the dopant centres but also by increasing the concentration of oxygen vacancies with respect to the pure oxide. © 2001 IOP Publishing Ltd.

  5. Fundamental processes on TiO2(110) studied under dark and UV-light conditions

    DEFF Research Database (Denmark)

    Hansen, Jonas Ørbæk

    2010-01-01

    (110) surfaces were investigated and charge transfer processes recognized. All findings are supported by density functional theory (DFT) calculations and complementary measurements using photoemission spectroscopy (PES), temperature programmed desorption/reaction (TPD/TPR) spectroscopy, and isothermal mass......The great potential of TiO2 for use in dye-sensitized solar cells, in gas sensors, as supports for active metal nanoparticles in heterogeneous catalysts, and as active elements in a variety of photochemical processes has spurred a great deal of research on TiO2-based systems. The scanning tunneling...... microscope (STM), with its unique spatial resolution and versatility, is a suitable tool for investigating fundamental properties of such systems at the atomic level. The main topics covered in this thesis are the structures, diffusion and reactions of water (H2O), ethanol (EtOH) and oxygen (O2...

  6. The interplay between dopants and oxygen vacancies in the magnetism of V-doped TiO2

    KAUST Repository

    Grau-Crespo, Ricardo; Schwingenschlö gl, Udo

    2011-01-01

    Density functional theory calculations indicate that the incorporation of V into Ti lattice positions of rutile TiO2 leads to magnetic V 4 + species, but the extension and sign of the coupling between dopant moments confirm that ferromagnetic order cannot be reached via low-concentration doping in the non-defective oxide. Oxygen vacancies can introduce additional magnetic centres, and we show here that one of the effects of vanadium doping is to reduce the formation energies of these defects. In the presence of both V dopants and O vacancies all the spins tend to align with the same orientation. We conclude that V doping favours the ferromagnetic behaviour of TiO2 not only by introducing spins associated with the dopant centres but also by increasing the concentration of oxygen vacancies with respect to the pure oxide. © 2001 IOP Publishing Ltd.

  7. Toxicity of TiO2, in nanoparticle or bulk form to freshwater and marine microalgae under visible light and UV-A radiation.

    Science.gov (United States)

    Sendra, M; Moreno-Garrido, I; Yeste, M P; Gatica, J M; Blasco, J

    2017-08-01

    Use of titanium dioxide nanoparticles (TiO 2 NPs) has become a part of our daily life and the high environmental concentrations predicted to accumulate in aquatic ecosystems are cause for concern. Although TiO 2 has only limited reactivity, at the nanoscale level its physico-chemical properties and toxicity are different compared with bulk material. Phytoplankton is a key trophic level in fresh and marine ecosystems, and the toxicity provoked by these nanoparticles can affect the structure and functioning of ecosystems. Two microalgae species, one freshwater (Chlamydomonas reinhardtii) and the other marine (Phaeodactylum tricornutum), have been selected for testing the toxicity of TiO 2 in NP and conventional bulk form and, given its photo-catalytic properties, the effect of UV-A was also checked. Growth inhibition, quantum yield reduction, increase of intracellular ROS production, membrane cell damage and production of exo-polymeric substances (EPS) were selected as variables to measure. TiO 2 NPs and bulk TiO 2 show a relationship between the size of agglomerates and time in freshwater and saltwater, but not in ultrapure water. Under two treatments, UV-A (6 h per day) and no UV-A exposure, NPs triggered stronger cytotoxic responses than bulk material. TiO 2 NPs were also associated with greater production of reactive oxygen species and damage to membrane. However, microalgae exposed to TiO 2 NPs and bulk TiO 2 under UV-A were found to be more sensitive than in the visible light condition. The marine species (P. tricornutum) was more sensitive than the freshwater species, and higher Ti internalization was measured. Exopolymeric substances (EPS) were released from microalgae in the culture media, in the presence of TiO 2 in both forms. This may be a possible defense mechanism by these cells, which would enhance processes of homoagglomeration and settling, and thus reduce bioavailability. Copyright © 2017 Elsevier Ltd. All rights reserved.

  8. Effects of subtoxic concentrations of TiO2 and ZnO nanoparticles on human lymphocytes, dendritic cells and exosome production

    International Nuclear Information System (INIS)

    Andersson-Willman, Britta; Gehrmann, Ulf; Cansu, Zekiye; Buerki-Thurnherr, Tina; Krug, Harald F.; Gabrielsson, Susanne; Scheynius, Annika

    2012-01-01

    Metal oxide nanoparticles are widely used in the paint and coating industry as well as in cosmetics, but the knowledge of their possible interactions with the immune system is very limited. Our aims were to investigate if commercially available TiO 2 and ZnO nanoparticles may affect different human immune cells and their production of exosomes, nano-sized vesicles that have a role in cell to cell communication. We found that the TiO 2 or ZnO nanoparticles at concentrations from 1 to 100 μg/mL did not affect the viability of primary human peripheral blood mononuclear cells (PBMC). In contrast, monocyte-derived dendritic cells (MDDC) reacted with a dose dependent increase in cell death and caspase activity to ZnO but not to TiO 2 nanoparticles. Non-toxic exposure, 10 μg/mL, to TiO 2 and ZnO nanoparticles did not significantly alter the phenotype of MDDC. Interestingly, ZnO but not TiO 2 nanoparticles induced a down regulation of FcγRIII (CD16) expression on NK-cells in the PBMC population, suggesting that subtoxic concentrations of ZnO nanoparticles might have an effect on FcγR-mediated immune responses. The phenotype and size of exosomes produced by PBMC or MDDC exposed to the nanoparticles were similar to that of exosomes harvested from control cultures. TiO 2 or ZnO nanoparticles could not be detected within or associated to exosomes as analyzed with TEM. We conclude that TiO 2 and ZnO nanoparticles differently affect immune cells and that evaluations of nanoparticles should be performed even at subtoxic concentrations on different primary human immune cells when investigating potential effects on immune functions. -- Highlights: ► ZnO nanoparticles induce cell death of MDDC but not of PBMC. ► ZnO nanoparticles induce caspase activation and DNA fragmentation in MDDC. ► TiO 2 nanoparticles are taken up by MDDC but have no effect on their phenotype. ► ZnO nanoparticles induce a significant reduction of CD16 expression on NK cells. ► ZnO and TiO 2

  9. Enhanced bonding between TiO2-Graphene oxide

    DEFF Research Database (Denmark)

    Naknikham, Usuma; Buffa, Vittorio; Yue, Yuanzheng

    analysis. Besides, the study of Ti-O-C and Ti-C interface bonding was carried out using XPS. The band-gap energy was determined using a UV-VIS spectrophotometer equipped with an integrating sphere. Thus, it was possible for us to determine the reactivity of the new photocatalysts under the visible light...... as photocatalysts, which can efficiently react with organic species under solar light and can enhance the adsorption of water pollutants [3]. Many studies have shown that TiO2-GO heterostructures can quickly mineralize organic dyes in solution under UV-light. However, it is not clear if these materials can provide...... the same performances under sunlight and with complex real water systems. Hence, this research aims to study the photocatalystic property on GO-TiO2 composites with aqueous solutions of selected emerging pollutants under visible light. The samples were synthesized via the in-situ sol-gel nucleation...

  10. Improving Reversible Capacities of High-Surface Lithium Insertion Materials – The Case of Amorphous TiO2

    International Nuclear Information System (INIS)

    Ganapathy, Swapna; Basak, Shibabrata; Lefering, Anton; Rogers, Edith; Zandbergen, Henny W.; Wagemaker, Marnix

    2014-01-01

    Chemisorbed water and solvent molecules and their reactivity with components from the electrolyte in high-surface nano-structured electrodes remains a contributing factor toward capacity diminishment on cycling in lithium ion batteries due to the limit in maximum annealing temperature. Here, we report a marked improvement in the capacity retention of amorphous TiO 2 by the choice of preparation solvent, control of annealing temperature, and the presence of surface functional groups. Careful heating of the amorphous TiO 2 sample prepared in acetone under vacuum lead to complete removal of all molecular solvent and an improved capacity retention of 220 mAh/g over 50 cycles at a C/10 rate. Amorphous TiO 2 when prepared in ethanol and heated under vacuum showed an even better capacity retention of 240 mAh/g. From Fourier transform infra-red spectroscopy and electron energy loss spectroscopy measurements, the improved capacity is attributed to the complete removal of ethanol and the presence of very small fractions of residual functional groups coordinated to oxygen-deficient surface titanium sites. These displace the more reactive chemisorbed hydroxyl groups, limiting reaction with components from the electrolyte and possibly enhancing the integrity of the solid electrolyte interface. The present research provides a facile strategy to improve the capacity retention of nano-structured electrode materials.

  11. Unraveling the charge transfer/electron transport in mesoporous semiconductive TiO2 films by voltabsorptometry.

    Science.gov (United States)

    Renault, Christophe; Nicole, Lionel; Sanchez, Clément; Costentin, Cyrille; Balland, Véronique; Limoges, Benoît

    2015-04-28

    In this work, we demonstrate that chronoabsorptometry and more specifically cyclic voltabsorptometry are particularly well suited techniques for acquiring a comprehensive understanding of the dynamics of electron transfer/charge transport within a transparent mesoporous semiconductive metal oxide film loaded with a redox-active dye. This is illustrated with the quantitative analysis of the spectroelectrochemical responses of two distinct heme-based redox probes adsorbed in highly-ordered mesoporous TiO2 thin films (prepared from evaporation-induced self-assembly, EISA). On the basis of a finite linear diffusion-reaction model as well as the establishment of the analytical expressions governing the limiting cases, it was possible to quantitatively analyse, predict and interpret the unusual voltabsorptometric responses of the adsorbed redox species as a function of the potential applied to the semiconductive film (i.e., as a function of the transition from an insulating to a conductive state or vice versa). In particular, we were able to accurately determine the interfacial charge transfer rates between the adsorbed redox species and the porous semiconductor. Another important and unexpected finding, inferred from the voltabsorptograms, is an interfacial electron transfer process predominantly governed by the extended conduction band states of the EISA TiO2 film and not by the localized traps in the bandgap. This is a significant result that contrasts those previously observed for dye-sensitized solar cells formed of randomly sintered TiO2 nanoparticles, a behaviour that was ascribed to a particularly low density of localized surface states in EISA TiO2. The present methodology also provides a unique and straightforward access to an activation-driving force relationship according to the Marcus theory, thus opening new opportunities not only to investigate the driving-force effects on electron recombination dynamics in dye-sensitized solar cells but also to study the

  12. The synthesis of aqueous-dispersible anatase TiO2 nanoplatelets

    International Nuclear Information System (INIS)

    Shan Guobin; Demopoulos, George P

    2010-01-01

    Aqueous well-dispersed and phase-pure anatase TiO 2 truncated octahedron nanoplatelets (NPLs) were prepared via controlled hydrolysis of titanium tetrachloride (TiCl 4 ) in ethylene glycol at 240 deg. C. Two shapes, square and hexagon, were observed by microscopy, exactly corresponding to the truncated octahedron NPLs. Ethylene glycol was found to produce water in situ that reacts with TiCl 4 to produce TiO 2 and HCl-the latter promoting TiO 2 colloid peptization. TiO 2 truncated octahedron NPLs are formed under the stabilizing action of ethylene glycol thermolysis derivatives, such as aldehydes. Crystal growth of the TiO 2 NPLs was affected by the reaction temperature that determines the water production rate and HCl-assisted peptization. TGA and FT-IR results showed ∼1.2% ethylene glycol thermolysis derivatives are attached to the surface of the TiO 2 NPLs, which prevents their agglomeration, hence making them easily dispersible in aqueous media. HR-TEM and SAED results showed that the TiO 2 NPLs are well crystallized and that the SAED patterns of the single TiO 2 NPL changes with its size and shape. XRD patterns showed that the TiO 2 NPLs are phase-pure anatase and the percentage of the {101} plane in the TiO 2 NPLs to be only 18%-a structural feature that renders the TiO 2 NPLs with enhanced UV absorption and reactivity properties.

  13. The Influence of Cr3+ on TiO2 Crystal Growth and Photoactivity Properties

    Science.gov (United States)

    Wahyuningsih, S.; Hidayatika, W. N.; Sari, P. L.; Sari, P. P.; Hidayat, R.; Munawaroh, H.; Ramelan, A. H.

    2018-03-01

    The photocatalyst technology is an integrated combination of photochemical processes and catalysis in order to carry out a chemical transformation reaction. One of the semiconductor materials that have good photocatalytic activity is TiO2 anatase. This study aim to determine the effect of the Cr3+ addition on the growth of TiO2 rutile crystal and the increasing of TiO2 photoactivity. Diffractogram X-Ray of the samples showed that the synthesized TiO2 at 400 °C has been produced 100% TiO2 anatase. Synthesis of TiO2 doped Cr3+ composite was using wet impregnation method. The TiO2 doped Cr3+ composites have beed grown by annealed at a temperature of 300, 400, 500, 600 and 700 °C, respectively Annealing process have capabled to gain to the TiO2 doped Cr3+ nanocomposite. The result product annealed at 500 °C only appear anatase phase due to the Cr3+ addition influence that was able to suppress the growth of rutile. Identification of TiO2 doped Cr3+ composite using Fourier Transform Infra-Red (FT-IR) showed O-Cr vibration at 2283.72 cm-1. The TiO2 doped Cr3+ photoactivity was studied to degrade Rhodamin B. The best result on photodegradation of Rhodamin B was performed by using TiO2 doped Cr3+ composite which was annealed at 700 °C i.e. 74.71%.

  14. Rapid detection of TiO2 (E171) in table sugar using Raman spectroscopy.

    Science.gov (United States)

    Tan, Chen; Zhao, Bin; Zhang, Zhiyun; He, Lili

    2017-02-01

    The potential toxic effects of titanium dioxide (TiO 2 ) to humans remain debatable despite its broad application as a food additive. Thus, confirmation of the existence of TiO 2 particles in food matrices and subsequently quantifying them are becoming increasingly critical. This study developed a facile, rapid (E171) from food products (e.g., table sugar) by Raman spectroscopy. To detect TiO 2 particles from sugar solution, sequential centrifugation and washing procedures were effectively applied to separate and recover 97% of TiO 2 particles from the sugar solution. The peak intensity of TiO 2 sensitively responded to the concentration of TiO 2 with a limit of detection (LOD) of 0.073 mg kg -1 . In the case of sugar granules, a mapping technique was applied to directly estimate the level of TiO 2 , which can be potentially used for rapid online monitoring. The plot of averaged intensity to TiO 2 concentration in the sugar granules exhibited a good linear relationship in the wide range of 5-2000 mg kg -1 , with an LOD of 8.46 mg kg -1 . Additionally, we applied Raman spectroscopy to prove the presence of TiO 2 in sugar-coated doughnuts. This study begins to fill in the analytical gaps that exist regarding the rapid detection and quantification of TiO 2 in food, which facilitate the risk assessment of TiO 2 through food exposure.

  15. Enhanced photoelectrocatalytic performance for degradation of diclofenac and mechanism with TiO2 nano-particles decorated TiO2 nano-tubes arrays photoelectrode

    International Nuclear Information System (INIS)

    Cheng, Xiuwen; Liu, Huiling; Chen, Qinghua; Li, Junjing; Wang, Pu

    2013-01-01

    In this study, TiO 2 nano-particles decorated TiO 2 nano-tubes arrays (TiO 2 NPs/TiO 2 NTAs) photoelectrodes have been successfully prepared through anodization, combined with ultrasonic strategy, followed by annealing post-treatment. The morphology and structure of the as-prepared TiO 2 NPs/TiO 2 NTAs photoelectrodes were characterized by scanning electrons microscopy (SEM), N 2 adsorption/desorption isotherms, X-ray diffraction (XRD) and UV–visible light diffuse reflection spectroscopy (DRS). In addition, the generation of hydroxyl radicals (·OH) was detected by a photoluminescence (PL) spectra using terephthalic acid (TA) as a probe molecule. Furthermore, the photoelectrochemical (PECH) properties of TiO 2 NPs/TiO 2 NTAs photoanode were investigated through transient open circuit potential (OCP), photocurrent response (PCR) and electrochemical impedance spectroscopy (EIS). It was found that TiO 2 NPs/TiO 2 NTAs photoelectrode exhibited a distinct decrease of OCP of −0.219 mV cm −2 and PCR of 0.049 mA cm −2 , while a significantly enhanced photoelectrocatalytic (PEC) efficiency of 63.6% (0.4 V vs. SCE) for the degradation of diclofenac. Moreover, the enhanced PEC mechanism of TiO 2 NPs/TiO 2 NTAs photoanode was proposed. The high PEC performance could be attributed to the decoration of TiO 2 NPs, which could improve the mobility and separation efficiency of photoinduced charge carriers under external potential

  16. Preparation of environment-friendly 3D eggshell membrane-supported anatase TiO2 as a reusable photocatalyst for degradation of organic dyes

    Science.gov (United States)

    Li, Yaling; Zhou, Ji; Fan, Yunde; Ye, Yong; Tang, Bin

    2017-12-01

    We fabricated a low-cost and efficient composite photocatalyst material, combining eggshell membrane (ESM) and titanium dioxide (TiO2) nanoparticles, through self-assembly method. ESM with 3D porous structures provide scaffolds for TiO2 nanoparticles. Polyethyleneimine (PEI) was used to modify ESM by grafting amine groups. The microstructure and property of the fabricated composites were studied by various characterization methods. The composite was used for the photodegradation of Rhodamine B (RhB). The results demonstrate that the composite catalyst possesses good photocatalytic performance for dye degradation under sunlight irradiation simulated by a xenon lamp. Functionalization based on nanomaterials may promote the applications of ESM.

  17. Ultraviolet and Visible Photochemistry of Methanol at 3D Mesoporous Networks: TiO2 and Au-TiO2

    Science.gov (United States)

    2013-05-23

    adsorbates are known to bend the bands of n-type semi- conductors ( ZnO , TiO2, etc.) upward, 21,133,134 which drives hole diffusion toward the surface... Electrochemistry of Ω-Functionalized Alkanethiolate-Stabilized Gold Cluster Compounds. J. Am. Chem. Soc. 1996, 118 (17), 4212−4213. (48) Dagan, G.; Tomkiewicz...Tsubota, S.; Haruta, M. FTIR Study of Carbon Monoxide Oxidation and Scrambling at Room Temperature over Gold Supported on ZnO and TiO2. J. Phys. Chem

  18. Photocatalytic degradation of paracetamol on TiO2 nanoparticles and TiO2/cellulosic fiber under UV and sunlight irradiation

    Directory of Open Access Journals (Sweden)

    Nabil Jallouli

    2017-05-01

    Full Text Available In the present study, photocatalytic degradation of acetaminophen ((N-(4-hydroxyphe-nylacetamide, an analgesic drug has been investigated in a batch reactor using TiO2 P25 as a photocatalyst in slurry and under UV light. Using TiO2 P25 nanoparticles, much faster photodegradation of paracetamol and effective mineralization occurred, more than 90% of 2.65 × 10−4 M paracetamol was degraded under UV irradiation. Changes in pH values affected the adsorption and the photodegradation of paracetamol. pH 9.0 is found to be the optimum for the photodegradation of paracetamol. HPLC detected hydroquinone, benzoquinone, p-nitrophenol, and 1,2,4-trihydroxybenzene during the TiO2-assisted photodegradation of paracetamol among which some pathway products are disclosed for the first time. The results showed that TiO2 suspension/UV system is more efficient than the TiO2/cellulosic fiber mode combined to solar light for the photocatalytic degradation of paracetamol. Nerveless the immobilization of TiO2 showed many advantages over slurry system because it can enhance adsorption properties while allowing easy separation of the photocatalyst from the treated solution with improved reusable performance.

  19. Photovoltaic and Impedance Properties of Hierarchical TiO2 Nanowire Based Quantum Dot Sensitized Solar Cell

    Directory of Open Access Journals (Sweden)

    Amanullah Fatehmulla

    2015-01-01

    Full Text Available Growth and characterization of TiO2 nanowire (NW assemblies on FTO glass using a typical hydrothermal synthesis have been reported. CdS quantum dots (QDs have been deposited on TiO2 nanowires by successive ion layer adsorption and reaction (SILAR method. FESEM image exhibits the flower-like hierarchical TiO2 bunch of nanowires. HRTEM image confirms the size of CdS QDs between 5 and 6 nm. XRD and absorption studies revealed proper growth of CdS quantum dots on TiO2 nanowires. At AM 1.5 illumination intensity, the solar cell, with the configuration FTO/TiO2-NW/CdS-QDs/Pt-FTO, displays a short circuit current (Jsc of 1.295 mA and an open circuit voltage (Voc of 0.38 V. The Voc and Jsc showed linear behavior at higher illumination intensities. The peak in power-voltage characteristics at various illuminations showed a shift towards higher Voc values. Capacitance-voltage (C-V, conductance-voltage (G-V, and series resistance-voltage (Rs-V measurements of the cell in the frequency ranging from 5 kHz to 5 MHz showed decreasing trend of capacitance with increase of frequency whereas increase in conductance and decrease in resistance have been noticed with increase of frequency. All the results including the individual behavior of the plots of capacitance, conductance, and series resistance as a function of bias voltage have been discussed.

  20. Exploration of sensing of nitrogen dioxide and ozone molecules using novel TiO2/Stanene heterostructures employing DFT calculations

    Science.gov (United States)

    Abbasi, Amirali; Sardroodi, Jaber Jahanbin

    2018-06-01

    Based on the density functional theory (DFT) calculations, we explored the sensing capabilities and electronic structures of TiO2/Stanene heterostructures as novel and highly efficient materials for detection of toxic NO2 and O3 molecules in the environment. Studied gas molecules were positioned at different sites and orientations towards the nanocomposite, and the adsorption process was examined based on the most stable structures. We found that both of these molecules are chemically adsorbed on the TiO2/Stanene heterostructures. The calculations of the adsorption energy indicate that the fivefold coordinated titanium sites of the TiO2/Stanene are the most stable sites for the adsorption of NO2 and O3 molecules. The side oxygen atoms of the gas molecules were found to be chemically bonded to these titanium atoms. The adsorption of gas molecules is an exothermic process, and the adsorption on the pristine nanocomposite is more favorable in energy than that on the nitrogen-doped nanocomposite. The effects of van der Waals interactions were taken into account, which indicate the adsorption energies were increased for the most sable configurations. The gas sensing response and charge transfers were analyzed in detail. The pristine nanocomposites have better sensing response than the doped ones. The spin density distribution plots indicate that the magnetization was mainly located over the adsorbed gas molecules. Mulliken charge analysis reveals that both NO2 and O3 molecules behave as charge acceptors, as evidenced by the accumulation of electronic charges on the adsorbed molecules predicted by charge density difference calculations. Our DFT results provide a theoretical basis for an innovative gas sensor system designed from a sensitive TiO2/Stanene heterostructures for efficient detection of harmful air pollutants such as NO2 and O3.

  1. First-principles investigation of aluminum intercalation and diffusion in TiO2 materials: Anatase versus rutile

    Science.gov (United States)

    Tang, Weiqiang; Xuan, Jin; Wang, Huizhi; Zhao, Shuangliang; Liu, Honglai

    2018-04-01

    Aluminum-ion batteries, emerging as a promising post-lithium battery solution, have been a subject of increasing research interest. Yet, most existing aluminum-ion research has focused on electrode materials development and synthesis. There has been a lack of fundamental understanding of the electrode processes and thus theoretical guidelines for electrode materials selection and design. In this study, by using density functional theory, we for the first time report a first-principles investigation on the thermodynamic and kinetic properties of aluminum intercalation into two common TiO2 polymorphs, i.e., anatase and rutile. After examining the aluminum intercalation sites, intercalation voltages, storage capacities and aluminum diffusion paths in both cases, we demonstrate that the stable aluminum intercalation site locates at the center of the O6 octahedral for TiO2 rutile and off center for TiO2 anatase. The maximum achievable Al/Ti ratios for rutile and anatase are 0.34375 and 0.36111, respectively. Although rutile is found to have an aluminum storage capacity slightly higher than anatase, the theoretical specific energy of rutile can reach 20.90 Wh kg-1, nearly twice as high as anatase (9.84 Wh kg-1). Moreover, the diffusion coefficient of aluminum ions in rutile is 10-9 cm2 s-1, significantly higher than that in anatase (10-20 cm2 s-1). In this regard, TiO2 rutile appears to be a better candidate than anatase as an electrode material for aluminum-ion batteries.

  2. Low-energy ion irradiation in HiPIMS to enable anatase TiO2 selective growth

    Science.gov (United States)

    Cemin, Felipe; Tsukamoto, Makoto; Keraudy, Julien; Antunes, Vinícius Gabriel; Helmersson, Ulf; Alvarez, Fernando; Minea, Tiberiu; Lundin, Daniel

    2018-06-01

    High power impulse magnetron sputtering (HiPIMS) has already demonstrated great potential for synthesizing the high-energy crystalline phase of titanium dioxide (rutile TiO2) due to large quantities of highly energetic ions present in the discharge. In this work, it is shown that the metastable anatase phase can also be obtained by HiPIMS. The required deposition conditions have been identified by systematically studying the phase formation, microstructure and chemical composition as a function of mode of target operation as well as of substrate temperature, working pressure, and peak current density. It is found that films deposited in the metal and transition modes are predominantly amorphous and contain substoichiometric TiO x compounds, while in compound mode they are well-crystallized and present only O2‑ ions bound to Ti4+, i.e. pure TiO2. Anatase TiO2 films are obtained for working pressures between 1 and 2 Pa, a peak current density of ~1 A cm‑2 and deposition temperatures lower than 300 °C. Rutile is favored at lower pressures (2 A cm‑2), while amorphous films are obtained at higher pressures (5 Pa). Microstructural characterization of selected films is also presented.

  3. Low temperature RF plasma nitriding of self-organized TiO2 nanotubes for effective bandgap reduction

    Science.gov (United States)

    Bonelli, Thiago Scremin; Pereyra, Inés

    2018-06-01

    Titanium dioxide is a widely studied semiconductor material found in many nanostructured forms, presenting very interesting properties for several applications, particularly photocatalysis. TiO2 nanotubes have a high surface-to-volume ratio and functional electronic properties for light harvesting. Despite these manifold advantages, TiO2 photocatalytic activity is limited to UV radiation due to its large band gap. In this work, TiO2 nanotubes produced by electrochemical anodization were submitted to plasma nitriding processes in a PECVD reactor. The plasma parameters were evaluated to find the best conditions for gap reduction, in order to increase their photocatalytic activity. The pressure and RF power density were varied from 0.66 to 2.66 mbar and 0.22 to 3.51 W/cm2 respectively. The best gap reduction, to 2.80 eV, was achieved using a pressure of 1.33 mbar and 1.75 W/cm2 RF power at 320 °C, during a 2-h process. This leads to a 14% reduction in the band gap value and an increase of 25.3% in methylene blue reduction, doubling the range of solar photons absorption from 5 to 10% of the solar spectrum.

  4. Photocatalytic behaviors and structural characterization of nanocrystalline Fe-doped TiO2 synthesized by mechanical alloying

    International Nuclear Information System (INIS)

    Kim, Dong Hyun; Hong, Hyun Seon; Kim, Sun Jae; Song, Jae Sung; Lee, Kyung Sub

    2004-01-01

    Nanocrystalline Fe-doped TiO 2 powders were synthesized by mechanical alloying (MA) with varying Fe contents from 0 up to 4.8 wt.% to shift the absorption threshold into the visible light region. The photocatalytic feasibility of the Fe-doped TiO 2 powder was evaluated by quantifying the visible light absorption capacity using ultraviolet and visible (UV-Vis) spectroscopy and photoluminescence spectroscopy. Effects of Fe additions on the crystal structures and the morphologies of the Fe-doped powders were also investigated as a function of the doping content using transmission electron microscopy-electron diffraction pattern (TEM-EDP), X-ray diffraction (XRD) and energy dispersive X-ray (EDAX) and X-ray photoelectron spectroscopy (XPS). The UV-Vis study showed that the UV absorption for the Fe-doped powder moved to a longer wavelength (red shift) and the photoefficiency was enhanced. Based on the analysis of the photoluminescence spectra, the red shift was believed to be induced by localizing the dopant level near the valence band of TiO 2 . The UV-Vis absorption depended on the Fe concentration. TEM-EDP and XRD investigations showed that the Fe-doped powder had a rutile phase in which the added Fe atoms were dissolved. The rutile phase was composed of spherical particles and chestnut bur shaped particles, resulting in a larger surface area than the spherical P-25 powder

  5. Enhanced degradation of persistent pharmaceuticals found in wastewater treatment effluents using TiO2 nanobelt photocatalysts

    International Nuclear Information System (INIS)

    Liang, Robert; Hu, Anming; Li, Wenjuan; Zhou, Y. Norman

    2013-01-01

    Pharmaceuticals in wastewater effluents are a current and emerging global problem and the development of cost-effective methods to facilitate their removal is needed to mitigate this issue. Advanced oxidation processes (AOPs), in particular UV/TiO 2 , have potential for wastewater treatment. In this study, TiO 2 anatase phase nanobelts (30–100 nm in width and 10 μm in length) have been synthesized using a high temperature hydrothermal method as a means to photocatalyze the oxidation of pharmaceutical contaminants. We have investigated a model dye (malachite green), three pharmaceuticals and personal care products—naproxen, carbamazepine, and theophylline—that are difficult to oxidize without AOP processes. TiO 2 nanobelts were exposed to 365 nm UV illumination and the measured photocatalytic degradation rates and adsorption parameters of pharmaceuticals were explored using kinetic models. Furthermore we have determined the degree of pharmaceutical degradation as a function of solution pH, illumination time, temperature, and concentration of contaminant. In addition, the roles of active oxygen species—hydroxyl radial (OH·), positive holes (h + ), and hydrogen peroxide (H 2 O 2 )—involved were also investigated in the degradation process. These studies offer additional applications of hierarchical TiO 2 nanobelt membranes, including those harnessing sunlight for water treatment

  6. Enhanced degradation of persistent pharmaceuticals found in wastewater treatment effluents using TiO2 nanobelt photocatalysts

    Science.gov (United States)

    Liang, Robert; Hu, Anming; Li, Wenjuan; Zhou, Y. Norman

    2013-10-01

    Pharmaceuticals in wastewater effluents are a current and emerging global problem and the development of cost-effective methods to facilitate their removal is needed to mitigate this issue. Advanced oxidation processes (AOPs), in particular UV/TiO2, have potential for wastewater treatment. In this study, TiO2 anatase phase nanobelts (30-100 nm in width and 10 μm in length) have been synthesized using a high temperature hydrothermal method as a means to photocatalyze the oxidation of pharmaceutical contaminants. We have investigated a model dye (malachite green), three pharmaceuticals and personal care products—naproxen, carbamazepine, and theophylline—that are difficult to oxidize without AOP processes. TiO2 nanobelts were exposed to 365 nm UV illumination and the measured photocatalytic degradation rates and adsorption parameters of pharmaceuticals were explored using kinetic models. Furthermore we have determined the degree of pharmaceutical degradation as a function of solution pH, illumination time, temperature, and concentration of contaminant. In addition, the roles of active oxygen species—hydroxyl radial (OH·), positive holes (h+), and hydrogen peroxide (H2O2)—involved were also investigated in the degradation process. These studies offer additional applications of hierarchical TiO2 nanobelt membranes, including those harnessing sunlight for water treatment.

  7. Removal of binary azo dyes from water by UV-irradiated degradation in TiO2 suspensions

    International Nuclear Information System (INIS)

    Juang, Ruey-Shin; Lin, Su-Hsia; Hsueh, Pei-Ying

    2010-01-01

    Photodegradation and mineralization of single and binary Acid Orange 7 (AO7) and Reactive Red 2 (RR2) under UV irradiation in TiO 2 suspensions was examined. Experiments were conducted as a function of initial pH, TiO 2 dose, and initial dye concentration. First-order derivative spectrophotometric method was used to simultaneously analyze AO7 and RR2 in binary solutions. The Langmuir-Hinshelwood kinetic model was applied to evaluate and compare the apparent rate constants for the photodegradation of both dyes in single and binary solutions. It was shown that photodegradation of both dyes in binary solution was slower than those in single solution under comparable conditions. Moreover, the difference between the apparent rate constants of RR2 and AO7 became smaller in contrast to the cases of single solutions. After 20-min UV irradiation with 0.5 g/L TiO 2 , complete removal of single 0.086 mM AO7 and 0.086 mM RR2 at pH 6.8 was obtained, but only 60% and 45% of binary 0.086 mM AO7 and 0.086 mM RR2 was removed, respectively.

  8. TiO2 based photo-catalysts prepared by chemical vapor infiltration (CVI) on micro-fibrous substrates

    International Nuclear Information System (INIS)

    Sarantopoulos, Ch.

    2007-10-01

    This thesis deals with micro-fibrous glass substrates functionalized with TiO 2 . The oxide is deposited as a thin film onto the micro fibres by chemical vapour infiltration (CVI), yielding a photo-catalytic material usable for cleaning polluted air. We studied the relation between the structure of the material and its photo-catalytic efficiency. TiO 2 thin films were prepared at low pressure, in a hot-wall CVD reactor, using Ti(O-iPr) 4 as a precursor. They were characterized by XRD, SEM, EDX, XPS and BET, and by recording the kinetics of decomposition of varied pollutants in solution (orange G, malic acid, imazapyr) and in air (toluene). The conditions favoring the growth of porous films through a columnar growth mode were established by MOCVD-depositing TiO 2 thin films on flat substrates. The subsequent works with micro fibrous thick substrates showed the uniformity of infiltration to be the main factor governing the photo-catalytic efficiency. Operating parameters that optimize infiltration do not yield columnar growth mode. A compromise is necessary. Our photo-catalysts are showing high efficiency comparable, if not higher, to those actually commercialized. These promising results are opening real perspectives for the proposed process. (author)

  9. Theoretical prediction of Grüneisen parameter for SiO_2.TiO_2 bulk metallic glasses

    International Nuclear Information System (INIS)

    Singh, Chandra K.; Pandey, Brijesh K.; Pandey, Anjani K.

    2016-01-01

    The Grüneisen parameter (γ) is very important to decide the limitations for the prediction of thermoelastic properties of bulk metallic glasses. It can be defined in terms of microscopic and macroscopic parameters of the material in which former is based on vibrational frequencies of atoms in the material while later is closely related to its thermodynamic properties. Different formulation and equation of states are used by the pioneer researchers of this field to predict the true sense of Gruneisen parameter for BMG but for SiO_2.TiO_2 very few and insufficient information is available till now. In the present work we have tested the validity of two different isothermal EOS viz. Poirrior-Tarantola EOS and Usual-Tait EOS to predict the true value of Gruneisen parameter for SiO_2.TiO_2 as a function of compression. Using different thermodynamic limitations related to the material constraints and analyzing obtained result it is concluded that the Poirrior-Tarantola EOS gives better numeric values of Grüneisen parameter (γ) for SiO_2.TiO_2 BMG.

  10. Effects of exposure to nano and bulk sized TiO2 and CuO in Lemna minor.

    Science.gov (United States)

    Dolenc Koce, Jasna

    2017-10-01

    Nanoparticles of TiO 2 and CuO are among most commonly used nanoparticles, and elevated concentrations of them are expected to be found in all environments, including aquatic. A standard growth inhibition test ISO/CD 20079 was used to determine the toxicity of nano sized and larger micro sized (bulk) particles in the concentrations of 0.1, 1, 10, 100 and 1000 μM CuO and TiO 2 on common duckweed (Lemna minor L.). Both nano and bulk CuO particles caused changes in the structure and function of treated plants. The number of fronds and colonies decreased by as much as 78%, the length of roots and fronds decreased by 99% and 14%, respectively. Furthermore, photochemical efficiency was reduced by up to 35%, and the activities of antioxidative enzymes guaiacol peroxidase, ascorbate peroxidase and glutathione reductase increased by more than 240%. The altered physiological state of the CuO exposed plants was also reflected in the elevated occurrence of necrosis and bleaching in the duckweed colonies. Nano sized particles of CuO proved more phytotoxic than bulk particles, and the effects of both studied CuO sizes were concentration dependent. On the other hand, both bulk and nano sized particles of TiO 2 caused no severe phytotoxic effects, there was no concentration dependence and they could be considered as non-harmful to common duckweed. Copyright © 2017 Elsevier Masson SAS. All rights reserved.

  11. Electrochemical and spectroelectrochemical characterization of different mesoporous TiO2 film electrodes for the immobilization of Cytochrome c

    Science.gov (United States)

    Katsiaounis, Stavros; Tiflidis, Christina; Tsekoura, Christina; Topoglidis, Emmanuel

    2018-03-01

    In this work three different mesoporous TiO2 film electrodes were prepared and used for the immobilization of Cytochrome c (Cyt-c). Films prepared via a standard sol-gel route (SG-films) were compared with commercially available benchmark nanotitania materials, namely P25 Degussa (P25-films) and Dyesol nanopaste (Dyesol films). Their properties, film deposition characteristics and their abilities to adsorb protein molecules in a stable and functional way were examined. We investigated whether it is possible, rather than preparing TiO2 films using multistep, lengthy and not always reproducible sol-gel procedures, to use commercially available nanotitania materials and produce reproducible films faster that exhibit all the properties that make TiO2 films ideal for protein immobilization. Although these materials are formulated primarily for dye-sensitized solar cell applications, in this study we found out that protein immobilization is facile and remarkably stable on all of them. We also investigated their electrochemical properties by using cyclic voltammetry and spectroelectrochemistry and found out that not only direct reduction of Fe(III)-heme to Fe(II)-heme of immobilized Cyt-c was possible on all films but that the adsorbed protein remained electroactive.

  12. Efficacy of the Reactive Oxygen Species Generated by Immobilized TiO2 in the Photocatalytic Degradation of Diclofenac

    Directory of Open Access Journals (Sweden)

    B. Di Credico

    2015-01-01

    Full Text Available We report on the photodegradation of diclofenac (DCF by hydrothermal anatase nanocrystals either free or immobilized in porous silica matrix (TS in connection to the type and amount of reactive oxygen species (ROS, in order to have deeper insight into their role in the photocatalysis and to provide an effective tool to implement the DCF mineralization. TiO2 and TS exhibit a remarkable efficiency in the DCF abatement, supporting that the utilization of anatase nanoparticles with the highly reactive {001}, {010}, and {101} exposed surfaces can be an effective way for enhancing the photooxidation even of the persistent pollutants. Furthermore, the hydrothermal TiO2, when immobilized in silica matrix, preserves its functional properties, combining high photoactivity with an easy technical use and recovery of the catalyst. The catalysts performances have been related to the presence of OH•, O21, and O2-• species by electron paramagnetic resonance spin-trap technique. The results demonstrated that the ROS concentration increases with the increase of photoactivity and indicated a significant involvement of O21 in the DCF degradation. The efficacy of TiO2 when immobilized on a silica matrix was associated with the high ROS life time and with the presence of singlet oxygen, which contributes to the complete photomineralization of DCF.

  13. A new recipe for preparing oxidized TiO2(1 1 0) surfaces: An STM study

    Science.gov (United States)

    Hansen, Jonas Ø.; Matthiesen, Jesper; Lira, Estephania; Lammich, Lutz; Wendt, Stefan

    2017-12-01

    Using high-resolution scanning tunneling microscopy (STM), we have studied the oxidation of rutile TiO2(1 1 0)-(1 × 1) surfaces with Had species at room temperature. We followed the evolution of various stable species as function of the O2 exposure, and the nature of the ultimately dominating species in the Ti troughs is described. When O2 saturation was accomplished using a glass-capillary array doser, we found that on-top O (Oot) adatoms are the predominant surface species. In contrast, when O2 was supplied via backfilling of the chamber the predominant surface species are tentatively assigned to terminal OH groups. We argue that unintended reactions with the chamber walls have a strong influence on the formed surface species, explaining scattered results in the literature. On the basis of our STM data we propose an alternative, easy way of preparing oxidized TiO2(1 1 0) surfaces with Oot adatoms (o-TiO2). It is certain that o-TiO2(1 1 0) surfaces prepared according to this recipe do not have any residual surface O vacancies. This contradicts the situation when oxidizing reduced TiO2(1 1 0) surfaces with O vacancies, where some O vacancies persist.

  14. Thermal conductivity of amorphous Al2O3/TiO2 nanolaminates deposited by atomic layer deposition.

    Science.gov (United States)

    Ali, Saima; Juntunen, Taneli; Sintonen, Sakari; Ylivaara, Oili M E; Puurunen, Riikka L; Lipsanen, Harri; Tittonen, Ilkka; Hannula, Simo-Pekka

    2016-11-04

    The thermophysical properties of Al2O3/TiO2 nanolaminates deposited by atomic layer deposition (ALD) are studied as a function of bilayer thickness and relative TiO2 content (0%-100%) while the total nominal thickness of the nanolaminates was kept at 100 nm. Cross-plane thermal conductivity of the nanolaminates is measured at room temperature using the nanosecond transient thermoreflectance method. Based on the measurements, the nanolaminates have reduced thermal conductivity as compared to the pure amorphous thin films, suggesting that interfaces have a non-negligible effect on thermal transport in amorphous nanolaminates. For a fixed number of interfaces, we find that approximately equal material content of Al2O3 and TiO2 produces the lowest value of thermal conductivity. The thermal conductivity reduces with increasing interface density up to 0.4 nm(-1), above which the thermal conductivity is found to be constant. The value of thermal interface resistance approximated by the use of diffuse mismatch model was found to be 0.45 m(2) K GW(-1), and a comparative study employing this value supports the interpretation of non-negligible interface resistance affecting the overall thermal conductivity also in the amorphous limit. Finally, no clear trend in thermal conductivity values was found for nanolaminates grown at different deposition temperatures, suggesting that the temperature in the ALD process has a non-trivial while modest effect on the overall thermal conductivity in amorphous nanolaminates.

  15. A multifunctional cotton fabric using TiO2 and PCMs: introducing thermal comfort and self-cleaning properties

    Science.gov (United States)

    Scacchetti, F. A. P.; Pinto, E.; Soares, G.

    2017-10-01

    The development of materials with multiple functionalities is a market imperative that places new challenges on textile processing. The purpose of this study was to establish the conditions to obtain a cotton material that is comfortable, with self-cleaning and antimicrobial properties. For this purpose, microcapsules of phase change materials (mPCM) and titanium dioxide nanoparticles (TiO2 NP) were applied. The resulting fabrics were characterized with resource to infrared spectroscopy (FTIR), differential scanning calorimetry (DSC), contact angle and scanning electron microscopy (SEM). The self-cleaning properties of treated fabrics were also analysed based on the photocatalytic ability of coated fabrics. Therefore, the decomposition of methyl orange (MO) and the degradation of red wine and curry spots under the irradiation of a solar simulator were analysed. Thus, the incorporation of TiO2 particles into the cotton fabric promoted self-cleaning and antibacterial characteristics, but the presence of PCM combined with TiO2 increases the bioactivity of materials.

  16. SiO2@TiO2 Coating: Synthesis, Physical Characterization and Photocatalytic Evaluation

    Directory of Open Access Journals (Sweden)

    A. Rosales

    2018-03-01

    Full Text Available Use of silicon dioxide (SiO2 and titanium dioxide (TiO2 have been widely investigated individually in coatings technology, but their combined properties promote compatibility for different innovative applications. For example, the photocatalytic properties of TiO2 coatings, when exposed to UV light, have interesting environmental applications, such as air purification, self-cleaning and antibacterial properties. However, as reported in different pilot projects, serious durability problems, associated with the adhesion between the substrate and TiO2, have been evidenced. Thus, the aim of this work is to synthesize SiO2 together with TiO2 to increase the durability of the photocatalytic coating without affecting its photocatalytic potential. Therefore, synthesis using sonochemistry, synthesis without sonochemistry, physical characterization, photocatalytic evaluation, and durability of the SiO2, SiO2@TiO2 and TiO2 coatings are presented. Results indicate that using SiO2 improved the durability of the TiO2 coating without affecting its photocatalytic properties. Thus, this novel SiO2@TiO2 coating shows potential for developing long-lasting, self-cleaning and air-purifying construction materials.

  17. Synthesis of TiO2-doped SiO2 composite films and its applications

    Indian Academy of Sciences (India)

    Wintec

    structure of the titanium oxide species in the TiO2-doped SiO2 composite films and the photocatalytic reactiv- ity in order to ... gaku D-max γA diffractometer with graphite mono- chromized ... FT–IR absorption spectra of TiO2-doped SiO2 com-.

  18. TiO2-Based Advanced Oxidation Nanotechnologies For Water Purification And Reuse

    Science.gov (United States)

    TiO2 photocatalysis, one of the UV-based advanced oxidation technologies (AOTs) and nanotechnologies (AONs), has attracted great attention for the development of efficient water treatment and purification systems due to the effectiveness of TiO2 to generate ...

  19. Hazards of TiO2 and amorphous SiO2 nanoparticles

    NARCIS (Netherlands)

    Reijnders, L.; Kahn, H.A.; Arif, I.A.

    2012-01-01

    TiO2 and amorphous SiO2 nanoparticles have been described as ‘safe’, ‘non-toxic’ and ‘environment friendly’ in scientific literature. However, though toxicity data are far from complete, there is evidence that these nanoparticles are hazardous. TiO2 nanoparticles have been found hazardous to humans

  20. Spectral Sensitization of TiO2 Substrates by Monolayers of Porphyrin Heterodimers

    NARCIS (Netherlands)

    Koehorst, R.B.M.; Boschloo, G.K.; Savenije, T.J.; Goossens, A.; Schaafsma, T.J.

    2000-01-01

    Photoelectrochemical cells have been constructed by depositing monolayers of oriented covalently linked zinc/free base porphyrin heterodimers onto ~30 nm nonporous layers of TiO2 on ITO, deposited by metal-organic chemical vapor deposition (MO-CVD), and onto ~100 nm porous, nanostructured TiO2