Enhanced visible-light photocatalytic activity for selective oxidation of amines into imines over TiO{sub 2}(B)/anatase mixed-phase nanowires

Energy Technology Data Exchange (ETDEWEB)

Dai, Jun [Institute of Applied Chemistry, Henan Polytechnic University, Jiaozuo 454003 (China); State Key Laboratory Cultivation Base for Gas Geology and Gas Control, School of Safety Science and Engineering, Henan Polytechnic University, Jiaozuo 454003 (China); Yang, Juan, E-mail: yangjuanhpu@yahoo.com [Institute of Applied Chemistry, Henan Polytechnic University, Jiaozuo 454003 (China); Wang, Xiaohan; Zhang, Lei; Li, Yingjie [Institute of Applied Chemistry, Henan Polytechnic University, Jiaozuo 454003 (China)

2015-09-15

Graphical abstract: Visible-light photocatalytic activities for selective oxidation of amines into imines are greatly affected by the crystal structure of TiO{sub 2} catalysts and mixed-phase TiO{sub 2}(B)/anatase possess higher photoactivity because of the moderate adsorption ability and efficient charge separation. - Highlights: • Visible-light photocatalytic oxidation of amines to imines is studied over different TiO{sub 2}. • Photocatalytic activities are greatly affected by the crystal structure of TiO{sub 2} nanowires. • Mixed-phase TiO{sub 2}(B)/anatase exhibits higher catalytic activity than single-phase TiO{sub 2}. • Enhanced activity is ascribed to efficient adsorption ability and interfacial charge separation. • Photoinduced charge transfer mechanism on TiO{sub 2}(B)/anatase catalysts is also proposed. - Abstract: Wirelike catalysts of mixed-phase TiO{sub 2}(B)/anatase TiO{sub 2}, bare anatase TiO{sub 2} and TiO{sub 2}(B) are synthesized via calcining precursor hydrogen titanate obtained from hydrothermal process at different temperatures between 450 and 700 °C. Under visible light irradiation, mixed-phase TiO{sub 2}(B)/anatase TiO{sub 2} catalysts exhibit enhanced photocatalytic activity in comparison with pure TiO{sub 2}(B) and anatase TiO{sub 2} toward selective oxidation of benzylamines into imines and the highest photocatalytic activity is achieved by TW-550 sample consisting of 65% TiO{sub 2}(B) and 35% anatase. The difference in photocatalytic activities of TiO{sub 2} samples can be attributed to the different adsorption abilities resulted from their crystal structures and interfacial charge separation driven by surface-phase junctions between TiO{sub 2}(B) and anatase TiO{sub 2}. Moreover, the photoinduced charge transfer mechanism of surface complex is also proposed over mixed-phase TiO{sub 2}(B)/anatase TiO{sub 2} catalysts. Advantages of this photocatalytic system include efficient utilization of solar light, general suitability to

Influence of concentration of H2O2 on the phase stability of TiO2-anatase

International Nuclear Information System (INIS)

Montanhera, M.A.; Pereira, E.A.; Paula, F.R.; Spada, E.R.; Faria, R.M.

2014-01-01

Titanium dioxide (TiO 2 ) is a semiconductor what has attracted increasing attention because of its physical and chemical properties. In this work, we report the preparation of TiO 2 nanoparticles by dissolving of titanium oxysulfate (TiOSO 4 ) in aqueous solution containing hydrogen peroxide (H 2 O 2 ) and subsequent thermal treatment of the precipitated complex. The results of X-ray diffractometry showed that the first stage of heat treatment at 600°C generates the anatase phase at all concentrations of H 2 O 2 investigated. On the other hand, when treated at 825 deg C, prepared samples with lower concentrations of H 2 O 2 (0.009 and 0.017 mol/L) showed only the rutile phase and for concentrations starting from 0.088 mol/L, is obtained only anatase phase. When the heat treatment is performed at 900°C, phase-pure anatase is obtained only for concentrations higher than 0.122 mol/L. The stability of the phase anatase is related to the crystallite size obtained of the first stage of heat treatment. When the heat treatment is performed at 900°C, phase-pure anatase is obtained only at higher concentrations than 0.122 mol/L. The stability of the phase anatase is related to the crystallite sizes obtained in the first step of heat treatment. (author)

Study on defect properties of nanocrystalline TiO2 during phase transition by positron annihilation lifetime

Science.gov (United States)

Zheng, F.; Liu, Y.; Liu, Z.; Dai, Y.-Q.; Fang, P.-F.; Wang, S.-J.

2012-08-01

The defect properties of nanocrystalline TiO2 were investigated by positron annihilation lifetime spectroscopy (PALS) and X-ray diffraction (XRD) as a function of annealed temperature that ranged from 300 to 850 °C. Below 500 °C, the measured positron lifetimes of τ1 (200-206 ps) and τ2 (378-402 ps) revealed the existence of mono-vacancy and vacancy-clusters at grain surface and in the micro-void of intergranular region. Between 500 and 750 °C, the phase transition from anatase to rutile was probed by the variations of positron lifetime and XRD pattern. With the increasing temperature from 500 to 850 °C, the positron lifetime τ1, τ2 and its intensity I2 sharply decreased from 200 ps, 378 ps, and 60% to 135 ps, 274 ps, and 33%, respectively. The results clearly indicate that the mono-vacancy or vacancy-clusters at grain surface and micro-voids between the grains were annealed out during the phase transition.

Preparation and characterization of phase-pure anatase and rutile TiO2 powder by new chemistry route

International Nuclear Information System (INIS)

Pereira, E. A.; Montanhera, M.A.; Paula, F.R.; Spada, E.R.

2014-01-01

Titanium dioxide (TiO 2 ) is used in a wire range applications such as photocatalysis and sensor device. In this work is shown a new and effective method for the preparation of TiO 2 nanocrystalline in the crystallographic forms, anatase and rutile. The method involves dissolving the TiOSO 4 powder in H 2 O 2 solution and thermal treatment of amorphous precipitate. The technique of X-ray diffraction was used to follow the structure evolution of amorphous precipitate. Pure anatase structure and rutile are obtained at 600 deg C and 1000 deg C with a grain size estimated 24 and 55 nm respectively. TiO 2 nanoparticles is a promising alternative of the low cost whose potential for solar cells deserve a careful evaluation, especially in hybrid solar cells that employs TiO 2 as electron acceptor and as transport channels. (author)

Phase evolution and its effects on the magnetic performance of nanocrystalline SmCo7 alloy

International Nuclear Information System (INIS)

Zhang Zhexu; Song Xiaoyan; Xu Wenwu

2011-01-01

The evolution of the phase constitution and the microstructure, as well as their effects on magnetic performance, were investigated systematically using a prepared nanocrystalline single-phase SmCo 7 alloy as the starting material for a series of annealing processes. The SmCo 7 (1:7 H) phase was discovered to have a good single-phase stability from room temperature up to 600 deg. C. The destabilization of the SmCo 7 phase results in the formation of the Sm 2 Co 17 (2:17 R) and SmCo 5 (1:5 H) phases, which exist as phase-transformation twins and particulate precipitates, respectively, with a completely coherent relationship with the 1:7 H parent phase. For the first time the formation mechanism of the 2:17 R phase-transformation twins has been proposed, in which the ordered substitution of 1/3 of the Sm atoms by Co-Co dumbbell pairs along two particular crystal directions was demonstrated. The characteristic width values of the 2:17 R phase-transformation twins, as deduced from this model of the mechanism, were unambiguously verified by the experimental results. Among the SmCo 7 alloys with various phase constitutions and microstructures, the best magnetic properties were obtained in the nanocrystalline 1:7 H single-phase alloys. The present work may promote a new understanding of nanoscale-stabilized single-phase SmCo 7 and its potential applications as unique high-temperature permanent magnets.

Study of the Bulk Charge Carrier Dynamics in Anatase and Rutile TiO2 Single Crystals by Femtosecond Time Resolved Spectroscopy

KAUST Repository

Maity, Partha; Mohammed, Omar F.; Katsiev, Khabiboulakh; Idriss, Hicham

2018-01-01

as the best model for fundamental studies. Their ultrafast charge carrier dynamics especially on TiO2 anatase single crystal (the most active phase) are unresolved. Here femtosecond time resolved spectroscopy (TRS) was carried out to explore the dynamics

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

Science.gov (United States)

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

Structural transformation of nanocrystalline titania by sol-gel and the growth kinetics of crystallites

International Nuclear Information System (INIS)

Hu Linhua; Dai Songyuan; Wang Kongjia

2002-05-01

Structural transformation of nanocrystalline titania prepared by sol-gel with hydrolysis precursor titanium isopropoxide was investigated. At the same time, the growth kinetics of titania powders was also studied here. It was found that the grain size of the powders increased slowly with autoclave heating temperature up to 230 degree C, when hydrolysis pH was 0.9, but grew rapidly when heating temperature was higher that 230 degree C. The activation energies for growth of anatase crystallites in two temperature regions were calculated to be 18.5 kJ/mol and 59.7 kJ/mol respectively. The X-ray diffraction results show that the transformation from anatase phase to rutile phase starts at 230 degree C and structural transformation finished when temperature raises to 270 degree C, which is a temperature much more lower than that of the transformation by conventional literature reports

Anatase-rutile phase transformation of titanium dioxide bulk material: a DFT + U approach

International Nuclear Information System (INIS)

Vu, Nam H; Le, Hieu V; Cao, Thi M; Pham, Viet V; Le, Hung M; Nguyen-Manh, Duc

2012-01-01

The anatase-rutile phase transformation of TiO 2 bulk material is investigated using a density functional theory (DFT) approach in this study. According to the calculations employing the Perdew-Burke-Ernzerhof (PBE) exchange-correlation functional with the Vanderbilt ultrasoft pseudopotential, it is suggested that the anatase phase is more energetically stable than rutile, which is in variance with the experimental observations. Consequently, the DFT + U method is employed in order to predict the correct structural stability in titania from electronic-structure-based total energy calculations. The Hubbard U term is determined by examining the band structure of rutile with various values of U from 3 to 10 eV. At U = 5 eV, a theoretical bandgap for rutile is obtained as 3.12 eV, which is in very good agreement with the reported experimental bandgap. Hence, we choose the DFT + U method (with U = 5 eV) to investigate the transformation pathway using the newly-developed solid-state nudged elastic band (ss-NEB) method, and consequently obtain an intermediate transition structure that is 9.794 eV per four-TiO 2 above the anatase phase. When the Ti-O bonds in the transition state are examined using charge density analysis, seven Ti-O bonds (out of 24 bonds in the anatase unit cell) are broken, and this result is in excellent agreement with a previous experimental study (Penn and Banfield 1999 Am. Miner. 84 871-6).

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

Directory of Open Access Journals (Sweden)

A. R. Zanatta

2017-07-01

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

Red shifts of the Eg(1) Raman mode of nanocrystalline TiO2:Er monoliths grown by sol-gel process

Science.gov (United States)

Palomino-Merino, R.; Trejo-Garcia, P.; Portillo-Moreno, O.; Jiménez-Sandoval, S.; Tomás, S. A.; Zelaya-Angel, O.; Lozada-Morales, R.; Castaño, V. M.

2015-08-01

Nanocrystalline monoliths of Er doped TiO2 were prepared by the sol-gel technique, by controlling the Er-doping levels into the TiO2 precursor solution. As-prepared and annealed in air samples showed the anatase TiO2 phase. The average diameter of the nanoparticles ranged from 19 to 2.6 nm as the nominal concentration of Er varies from 0% to 7%, as revealed by EDS analysis in an electron microscope. Photo Acoustic Spectroscopy (PAS) allowed calculate the forbidden band gap, evidencing an absorption edge at around 300 nm, attributed to TiO2 and evidence of electronic transitions or Er3+. The Raman spectra, corresponding to the anatase phase, show the main phonon mode Eg(1) band position at 144 cm-1 with a red shift for the annealing samples.

Facile synthesis of high-temperature (1000 °C) phase-stable rice-like anatase TiO2 nanocrystals

Science.gov (United States)

Lv, Lizhen; Chen, Qirong; Liu, Xiuyun; Wang, Miaomiao; Meng, Xiangfu

2015-05-01

High-temperature phase-stable rice-like anatase TiO2 nanocrystals were synthesized by one-pot solvothermal method using soluble titania xerogel and isopropyl alcohol (IPA) as the precursor and the solvent, respectively. Sample characterization was carried out by powder X-ray diffraction, high-resolution transmission electron microscopy, field emission scanning electron microscope, X-ray photoelectron spectroscopy, and N2 adsorption-desorption isotherms. The results showed that TiO2 nanocrystals had rice-like shapes with an average size of 5 nm in width and 35 nm in length. The BET surface area was 153 m2/g. Unexpectedly, the rice-like TiO2 nanocrystals exhibited high-temperature phase stability, which could remain as pure anatase phase after calcinations at 1000 °C. Growth mechanism investigation revealed that the IPA solvent played a key role in nucleation and growth of rice-like anatase TiO2 nanocrystals. The photodegradation of rhodamine B demonstrated that rice-like anatase TiO2 nanocrystals exhibited enhanced photocatalytic activity under visible light irradiation.

Preparation and characterization of phase-pure anatase and rutile TiO{sub 2} powder by new chemistry route; Preparacao e caracterizacao de nanoparticulas de TiO{sub 2} nas fases anatase e rutila por uma nova rota quimica

Energy Technology Data Exchange (ETDEWEB)

Pereira, E. A.; Montanhera, M.A.; Paula, F.R., E-mail: sevlarede2@yahoo.com.br [Universidade Estadual Paulista Julio de Mesquista Filho (UNESP), Ilha Soltiera, SP (Brazil). Faculdade de Engenharia. Departameinto de Fisica e Quimica; Spada, E.R. [Universidade de Sao Paulo (USP), Sao Carlos, SP (Brazil). Institutlo de Fisica

2014-07-01

Titanium dioxide (TiO{sub 2}) is used in a wire range applications such as photocatalysis and sensor device. In this work is shown a new and effective method for the preparation of TiO{sub 2} nanocrystalline in the crystallographic forms, anatase and rutile. The method involves dissolving the TiOSO{sub 4} powder in H{sub 2}O{sub 2} solution and thermal treatment of amorphous precipitate. The technique of X-ray diffraction was used to follow the structure evolution of amorphous precipitate. Pure anatase structure and rutile are obtained at 600 deg C and 1000 deg C with a grain size estimated 24 and 55 nm respectively. TiO{sub 2} nanoparticles is a promising alternative of the low cost whose potential for solar cells deserve a careful evaluation, especially in hybrid solar cells that employs TiO{sub 2} as electron acceptor and as transport channels. (author)

Study of the structure and phase composition of nanocrystalline silicon oxynitride films synthesized by ICP-CVD

International Nuclear Information System (INIS)

Fainer, N.I.; Kosinova, M.L.; Maximovsky, E.A.; Rumyantsev, Yu.M.; Kuznetsov, F.A.; Kesler, V.G.; Kirienko, V.V.

2005-01-01

Thin nanocrystalline silicon oxynitride films were synthesized for the first time at low temperatures (373-750 K) by inductively coupled plasma chemical vapor deposition (ICP-CVD) using gas mixture of oxygen and hexamethyldisilazane Si 2 NH(CH 3 ) 6 (HMDS) as precursors. Single crystal Si (1 0 0) wafers 100 mm in diameter were used as substrates. Physicochemical properties of the thin films were examined using ellipsometry, IR spectroscopy, Auger electron and X-ray photoelectron spectroscopy and XRD using synchrotron radiation (SR). The studies of the phase composition of nanocrystalline films of silicon oxynitride showed that in the case of oxygen excess in the initial gas mixture, they contain a mixture of hexagonal phases: h-SiO 2 and α-Si 3 N 4 . These phases consist of oriented nanocrystals of 2-3 nm size. In case of decrease of oxygen concentration in the initial gas mixture, the fraction of the α-Si 3 N 4 phase increases

Study of the structure and phase composition of nanocrystalline silicon oxynitride films synthesized by ICP-CVD

Energy Technology Data Exchange (ETDEWEB)

Fainer, N.I. [Nikolaev Institute of Inorganic Chemistry SB RAS, 3, Acad. Lavrentjev Pr., Novosibirsk 630090 (Russian Federation)]. E-mail: nadezhda@che.nsk.su; Kosinova, M.L. [Nikolaev Institute of Inorganic Chemistry SB RAS, 3, Acad. Lavrentjev Pr., Novosibirsk 630090 (Russian Federation); Maximovsky, E.A. [Nikolaev Institute of Inorganic Chemistry SB RAS, 3, Acad. Lavrentjev Pr., Novosibirsk 630090 (Russian Federation); Rumyantsev, Yu.M. [Nikolaev Institute of Inorganic Chemistry SB RAS, 3, Acad. Lavrentjev Pr., Novosibirsk 630090 (Russian Federation); Kuznetsov, F.A. [Nikolaev Institute of Inorganic Chemistry SB RAS, 3, Acad. Lavrentjev Pr., Novosibirsk 630090 (Russian Federation); Kesler, V.G. [Institute of Semiconductor Physics SB RAS, Acad. Lavrentjev pr., 13, Novosibirsk 630090 (Russian Federation); Kirienko, V.V. [Institute of Semiconductor Physics SB RAS, Acad. Lavrentjev pr., 13, Novosibirsk 630090 (Russian Federation)

2005-05-01

Thin nanocrystalline silicon oxynitride films were synthesized for the first time at low temperatures (373-750 K) by inductively coupled plasma chemical vapor deposition (ICP-CVD) using gas mixture of oxygen and hexamethyldisilazane Si{sub 2}NH(CH{sub 3}){sub 6} (HMDS) as precursors. Single crystal Si (1 0 0) wafers 100 mm in diameter were used as substrates. Physicochemical properties of the thin films were examined using ellipsometry, IR spectroscopy, Auger electron and X-ray photoelectron spectroscopy and XRD using synchrotron radiation (SR). The studies of the phase composition of nanocrystalline films of silicon oxynitride showed that in the case of oxygen excess in the initial gas mixture, they contain a mixture of hexagonal phases: h-SiO{sub 2} and {alpha}-Si{sub 3}N{sub 4}. These phases consist of oriented nanocrystals of 2-3 nm size. In case of decrease of oxygen concentration in the initial gas mixture, the fraction of the {alpha}-Si{sub 3}N{sub 4} phase increases.

Electronic transport in mixed-phase hydrogenated amorphous/nanocrystalline silicon thin films

Science.gov (United States)

Wienkes, Lee Raymond

Interest in mixed-phase silicon thin film materials, composed of an amorphous semiconductor matrix in which nanocrystalline inclusions are embedded, stems in part from potential technological applications, including photovoltaic and thin film transistor technologies. Conventional mixed-phase silicon films are produced in a single plasma reactor, where the conditions of the plasma must be precisely tuned, limiting the ability to adjust the film and nanoparticle parameters independently. The films presented in this thesis are deposited using a novel dual-plasma co-deposition approach in which the nanoparticles are produced separately in an upstream reactor and then injected into a secondary reactor where an amorphous silicon film is being grown. The degree of crystallinity and grain sizes of the films are evaluated using Raman spectroscopy and X-ray diffraction respectively. I describe detailed electronic measurements which reveal three distinct conduction mechanisms in n-type doped mixed-phase amorphous/nanocrystalline silicon thin films over a range of nanocrystallite concentrations and temperatures, covering the transition from fully amorphous to ~30% nanocrystalline. As the temperature is varied from 470 to 10 K, we observe activated conduction, multiphonon hopping (MPH) and Mott variable range hopping (VRH) as the nanocrystal content is increased. The transition from MPH to Mott-VRH hopping around 100K is ascribed to the freeze out of the phonon modes. A conduction model involving the parallel contributions of these three distinct conduction mechanisms is shown to describe both the conductivity and the reduced activation energy data to a high accuracy. Additional support is provided by measurements of thermal equilibration effects and noise spectroscopy, both done above room temperature (>300 K). This thesis provides a clear link between measurement and theory in these complex materials.

PVA assisted low temperature anatase to rutile phase transformation (ART) and properties of titania nanoparticles

International Nuclear Information System (INIS)

Mondal, Shrabani; Madhuri, Rashmi; Sharma, Prashant K.

2015-01-01

Anatase to rutile phase transformation (ART) of titania nanoparticles is observed at very low temperature (180 °C) just by introducing polyvinyl alcohol (PVA) during co-precipitation followed by hydrothermal synthesis. The detailed investigations pertaining to the structural, optical and electrochemical properties of the nanosized titania and titania/PVA nanohybrid has been carried out. The crystallite size and crystal structure is confirmed using X-ray diffraction (XRD). Transmission electron microscopic (TEM) image reveals formation of spherical NPs in both the cases. Identification of functional groups is done using Fourier transform infrared spectroscopy (FTIR). The photoluminescence studies showed that emission slightly shifts towards higher wavelength side with remarkable decrease in intensity for TiO 2 /PVA nanocomposite (rutile samples). The remarkable decrease in PL intensity in TiO 2 /PVA nanocomposite (rutile samples) is explained considering the surface passivation during growth process. Ion transportation is monitored via Cyclic voltammetric (CV) and Electrochemical Impedance Spectroscopy (EIS) measurements. A significant enhancement of peak cathodic current in case of nanocomposite modified electrode is observed. It is assumed that TiO 2 /PVA (rutile) nanoparticles provided the conducting path for the electrons and hence enhanced the electrochemical reaction. - Graphical abstract: Present work reports anatase to rutile phase transformation (ART) of titania nanoparticles at very low temperature (180 °C) just by introducing polyvinyl alcohol (PVA) during co-precipitation followed by hydrothermal synthesis. - Highlights: • Low temperature phase transformation of TiO 2 nanoparticles from anatase to rutile. • Role of PVA in phase transformation. • Synthesis of spherical shaped uniformly distributed PVA capped TiO 2 NPs. • Explained the charge transfer process among anatase to rutile phase transformation via luminescence studies. • Enhanced

Facile synthesis of high-temperature (1000 °C) phase-stable rice-like anatase TiO{sub 2} nanocrystals

Energy Technology Data Exchange (ETDEWEB)

Lv, Lizhen [Capital Normal University, Beijing Key Laboratory for Optical Materials and Photonic Devices, Department of Chemistry (China); Chen, Qirong [Beijing Center for Physical and Chemical Analysis (BCPCA) (China); Liu, Xiuyun; Wang, Miaomiao; Meng, Xiangfu, E-mail: xfmeng@cnu.edu.cn [Capital Normal University, Beijing Key Laboratory for Optical Materials and Photonic Devices, Department of Chemistry (China)

2015-05-15

High-temperature phase-stable rice-like anatase TiO{sub 2} nanocrystals were synthesized by one-pot solvothermal method using soluble titania xerogel and isopropyl alcohol (IPA) as the precursor and the solvent, respectively. Sample characterization was carried out by powder X-ray diffraction, high-resolution transmission electron microscopy, field emission scanning electron microscope, X-ray photoelectron spectroscopy, and N{sub 2} adsorption–desorption isotherms. The results showed that TiO{sub 2} nanocrystals had rice-like shapes with an average size of 5 nm in width and 35 nm in length. The BET surface area was 153 m{sup 2}/g. Unexpectedly, the rice-like TiO{sub 2} nanocrystals exhibited high-temperature phase stability, which could remain as pure anatase phase after calcinations at 1000 °C. Growth mechanism investigation revealed that the IPA solvent played a key role in nucleation and growth of rice-like anatase TiO{sub 2} nanocrystals. The photodegradation of rhodamine B demonstrated that rice-like anatase TiO{sub 2} nanocrystals exhibited enhanced photocatalytic activity under visible light irradiation.

Room temperature growth of nanocrystalline anatase TiO2 thin films by dc magnetron sputtering

International Nuclear Information System (INIS)

Singh, Preetam; Kaur, Davinder

2010-01-01

We report, the structural and optical properties of nanocrystalline anatase TiO 2 thin films grown on glass substrate by dc magnetron sputtering at room temperature. The influence of sputtering power and pressure over crystallinity and surface morphology of the films were investigated. It was observed that increase in sputtering power activates the TiO 2 film growth from relative lower surface free energy to higher surface free energy. XRD pattern revealed the change in preferred orientation from (1 0 1) to (0 0 4) with increase in sputtering power, which is accounted for different surface energy associated with different planes. Microstructure of the films also changes from cauliflower type to columnar type structures with increase in sputtering power. FESEM images of films grown at low pressure and low sputtering power showed typical cauliflower like structure. The optical measurement revealed the systematic variation of the optical constants with deposition parameters. The films are highly transparent with transmission higher than 90% with sharp ultraviolet cut off. The transmittance of these films was found to be influenced by the surface roughness and film thickness. The optical band gap was found to decrease with increase in the sputtering power and pressure. The refractive index of the films was found to vary in the range of 2.50-2.24 with increase in sputtering pressure or sputtering power, resulting in the possibility of producing TiO 2 films for device applications with different refractive index, by changing the deposition parameters.

Surfactant-assisted sol gel preparation of high-surface area mesoporous TiO2 nanocrystalline Li-ion battery anodes

International Nuclear Information System (INIS)

Casino, S.; Di Lupo, F.; Francia, C.; Tuel, A.; Bodoardo, S.; Gerbaldi, C.

2014-01-01

Highlights: • Mesoporous TiO 2 nanocrystalline lithium battery anodes with tunable morphology. • Simple sol–gel technique using different cationic surfactants is adopted. • Textural/morphological characteristics define the electrochemical behaviour. • TiO 2 anatase using C16TAB exhibits stable performance after 200 cycles. • It shows promising prospects as high-voltage safe Li-ion battery anode. - Abstract: We here investigate the physico-chemical/morphological characteristics and cycling behaviour of several kinds of nanocrystalline TiO 2 Li-ion battery anodes selectively prepared through a simple sol–gel strategy based on a low-cost titanium oxysulfate precursor, by mediation of different cationic surfactants having different features (e.g., chain lengths, counter ion, etc.): i.e., cetyl-trimethylammonium bromide (CTAB), cetyl-trimethylammonium chloride (CTAC), benzalkonium chloride (BC) or octadecyl-trimethyl ammonium bromide (C 18 TAB). X-ray diffraction profiles reveal single phase anatase having good correspondence with the reference pattern when using short chain CTAB, while in the other cases the presence of chloride and/or an increased chain length affect the purity of the samples. FESEM analysis reveal nanosized particles forming cauliflower-like aggregates. TiO 2 materials demonstrate mesoporous characteristics and large specific surface area ranging from 250 to 30 m 2 g −1 . Remarkably stable electrode performance are achieved by appropriately selecting the cationic surfactant and the surfactant/precursor ratio. Detailed analysis is provided on the effect of the reaction conditions upon the formation of mesoporous crystalline titania enlightening new directions for the development of high performing lithium storage electrodes by a simple and low cost sol–gel strategy

A novel single-step synthesis of N-doped TiO2 via a sonochemical method

International Nuclear Information System (INIS)

Wang, Xi-Kui; Wang, Chen; Guo, Wei-Lin; Wang, Jin-Gang

2011-01-01

Graphical abstract: The N-doped anatase TiO 2 nanoparticles were synthesized by sonochemical method. The as-prepared sample is characterized by XRD, TEM, XPS and UV-Vis DRS. The photocatalytic activity of the photocatalyst was evaluated by the photodegradation of an azo dye direct sky blue 5B. Highlights: → A novel singal-step sonochemical synthesis method for the preparation of anatase N-doped TiO 2 nanocrystalline at low temperature has been devoleped. → The as-prepared sample is characterized by XRD, TEM, XPS and UV-Vis DRS. → The photodegradation of azo dye direct sky blue 5 showed that the N-doped TiO 2 catalyst is of high visible-light photocatalytic activity. -- Abstract: A novel single-step synthetic method for the preparation of anatase N-doped TiO 2 nanocrystalline at low temperature has been devoleped. The N-doped anatase TiO 2 nanoparticles were synthesized by sonication of the solution of tetraisopropyl titanium and urea in water and isopropyl alcohol at 80 o C for 150 min. The as-prepared sample was characterized by X-ray diffraction, transmission electron microscopy, X-ray photoelectron spectroscopy and UV-vis absorption spectrum. The product structure depends on the reaction temperature and reaction time. The photocatalytic activity of the as-prepared photocatalyst was evaluated via the photodegradation of an azo dye direct sky blue 5B. The results show that the N-doped TiO 2 nanocrystalline prepared via sonication exhibit an excellent photocatalytic activity under UV light and simulated sunlight.

Anatase TiO2 single crystals with dominant {0 0 1} facets: Synthesis, shape-control mechanism and photocatalytic activity

Science.gov (United States)

Tong, Huifen; Zhou, Yingying; Chang, Gang; Li, Pai; Zhu, Ruizhi; He, Yunbin

2018-06-01

Anatase TiO2 micro-crystals with 51% surface exposing highly active {0 0 1} facets are prepared by hydrothermal synthesis using TiF4 as Ti resource and HF as morphology control agent. In addition, anatase TiO2 single crystals exposing large {0 0 1} crystal facets are facilely synthesized with "green" NaF plus HCl replacing HF for the morphology control. A series of comparative experiments are carried out for separately studying the effects of F- and H+ concentrations on the growth of TiO2 crystals, which have not been understood very much in depth so far. The results indicate that both F- and H+ synergistically affect the synthesis of truncated anatase octahedrons, where F- is preferentially adsorbed on the {0 0 1} facets resulting in lateral growth of these facets and H+ adjusts the growth rate of anatase TiO2 along different orientations by tuning the hydrolysis rate. Based on this information, anatase TiO2 single crystals with small size (1.3 μm) and large exposure of {0 0 1} facets (45%) are successfully prepared under optimal conditions ([H+]/[F-] = 20:1). Photocatalytic activities of the as-prepared products toward methylene blue photo-degradation are further tested. It is revealed that both crystal size and percentage of {0 0 1} facets are decisive for the photocatalytic performance, and the crystals with a small size (1.3 μm) and large exposure of {0 0 1} facets (45%) are catalytically most active. This work has clarified the main factors that control the growth process and morphology of anatase TiO2 single crystals for achieving superior photocatalytic properties.

Revelation of rutile phase by Raman scattering for enhanced photoelectrochemical performance of hydrothermally-grown anatase TiO2 film

Science.gov (United States)

Cho, Hsun-Wei; Liao, Kuo-Lun; Yang, Jih-Sheng; Wu, Jih-Jen

2018-05-01

Photoelectrochemical (PEC) performances of the anatase TiO2 films hydrothermally grown on the seeded fluorine-doped tin oxide (FTO) substrates are examined in this work. Structural characterizations of the TiO2 films were conducted using Raman scattering spectroscopy. Although there is no obvious rutile peak appearing, an asymmetrical peak centered at ∼399 cm-1 was observed in the Raman spectra of the TiO2 films deposited either on the low-temperature-formed seed layers or with low concentrations of Ti precursor. The asymmetrical Raman shift can be deconvoluted into the B1g mode of anatase and Eg mode of rutile TiO2 peaks centered at ∼399 cm-1 and ∼447 cm-1, respectively. Therefore, a minute quantity of rutile phase was inspected in the anatase film using Raman scattering spectroscopy. With the same light harvesting ability, we found that the PEC performance of the anatase TiO2 film was significantly enhanced as the minute quantity of rutile phase existing in the film. It is ascribed to the formation of the anatase/rutile heterojunction which is beneficial to the charge separation in the photoanode.

Surfactant-assisted sol gel preparation of high-surface area mesoporous TiO{sub 2} nanocrystalline Li-ion battery anodes

Energy Technology Data Exchange (ETDEWEB)

Casino, S. [GAME Lab, Department of Applied Science and Technology – DISAT, Institute of Chemistry, Politecnico di Torino, C.so Duca degli Abruzzi 24, 10129 Torino (Italy); Di Lupo, F., E-mail: francesca.dilupo@polito.it [GAME Lab, Department of Applied Science and Technology – DISAT, Institute of Chemistry, Politecnico di Torino, C.so Duca degli Abruzzi 24, 10129 Torino (Italy); Francia, C. [GAME Lab, Department of Applied Science and Technology – DISAT, Institute of Chemistry, Politecnico di Torino, C.so Duca degli Abruzzi 24, 10129 Torino (Italy); Tuel, A. [IRCELYON, Institut de Recherches sur la Catalyse et l’environnement de Lyon, UMR 5256, CNRS-Université de Lyon 1, 2 Avenue Albert Einstein, 69626 Villeurbanne Cedex (France); Bodoardo, S. [GAME Lab, Department of Applied Science and Technology – DISAT, Institute of Chemistry, Politecnico di Torino, C.so Duca degli Abruzzi 24, 10129 Torino (Italy); Gerbaldi, C., E-mail: claudio.gerbaldi@polito.it [GAME Lab, Department of Applied Science and Technology – DISAT, Institute of Chemistry, Politecnico di Torino, C.so Duca degli Abruzzi 24, 10129 Torino (Italy)

2014-05-01

Highlights: • Mesoporous TiO{sub 2} nanocrystalline lithium battery anodes with tunable morphology. • Simple sol–gel technique using different cationic surfactants is adopted. • Textural/morphological characteristics define the electrochemical behaviour. • TiO{sub 2} anatase using C16TAB exhibits stable performance after 200 cycles. • It shows promising prospects as high-voltage safe Li-ion battery anode. - Abstract: We here investigate the physico-chemical/morphological characteristics and cycling behaviour of several kinds of nanocrystalline TiO{sub 2} Li-ion battery anodes selectively prepared through a simple sol–gel strategy based on a low-cost titanium oxysulfate precursor, by mediation of different cationic surfactants having different features (e.g., chain lengths, counter ion, etc.): i.e., cetyl-trimethylammonium bromide (CTAB), cetyl-trimethylammonium chloride (CTAC), benzalkonium chloride (BC) or octadecyl-trimethyl ammonium bromide (C{sub 18}TAB). X-ray diffraction profiles reveal single phase anatase having good correspondence with the reference pattern when using short chain CTAB, while in the other cases the presence of chloride and/or an increased chain length affect the purity of the samples. FESEM analysis reveal nanosized particles forming cauliflower-like aggregates. TiO{sub 2} materials demonstrate mesoporous characteristics and large specific surface area ranging from 250 to 30 m{sup 2} g{sup −1}. Remarkably stable electrode performance are achieved by appropriately selecting the cationic surfactant and the surfactant/precursor ratio. Detailed analysis is provided on the effect of the reaction conditions upon the formation of mesoporous crystalline titania enlightening new directions for the development of high performing lithium storage electrodes by a simple and low cost sol–gel strategy.

Single-crystalline self-branched anatase titania nanowires for dye-sensitized solar cells

Science.gov (United States)

Li, Zhenquan; Yang, Huang; Wu, Fei; Fu, Jianxun; Wang, Linjun; Yang, Weiguang

2017-03-01

The morphology of the anatase titania plays an important role in improving the photovoltaic performance in dye-sensitized solar cells. In this work, single-crystalline self-branched anatase TiO2 nanowires have been synthesized by hydrothermal method using TBAH and CTAB as morphology controlling agents. The obtained self-branched TiO2 nanowires dominated by a large percentage of (010) facets. The photovoltaic conversion efficiency (6.37%) of dye-sensitized solar cell (DSSC) based on the self-branched TiO2 nanowires shows a significant improvement (26.6%) compared to that of P25 TiO2 (5.03%). The enhanced performance of the self-branched TiO2 nanowires-based DSSC is due to heir large percent of exposed (010) facets which have strong dye adsorption capacity and effective charge transport of the self-branched 1D nanostructures.

UV and visible light photocatalytic activity of Au/TiO2 nanoforests with Anatase/Rutile phase junctions and controlled Au locations.

Science.gov (United States)

Yu, Yang; Wen, Wei; Qian, Xin-Yue; Liu, Jia-Bin; Wu, Jin-Ming

2017-01-24

To magnify anatase/rutile phase junction effects through appropriate Au decorations, a facile solution-based approach was developed to synthesize Au/TiO 2 nanoforests with controlled Au locations. The nanoforests cons®isted of anatase nanowires surrounded by radially grown rutile branches, on which Au nanoparticles were deposited with preferred locations controlled by simply altering the order of the fabrication step. The Au-decoration increased the photocatalytic activity under the illumination of either UV or visible light, because of the beneficial effects of either electron trapping or localized surface plasmon resonance (LSPR). Gold nanoparticles located preferably at the interface of anatase/rutile led to a further enhanced photocatalytic activity. The appropriate distributions of Au nanoparticles magnify the beneficial effects arising from the anatase/rutile phase junctions when illuminated by UV light. Under the visible light illumination, the LSPR effect followed by the consecutive electron transfer explains the enhanced photocatalysis. This study provides a facile route to control locations of gold nanoparticles in one-dimensional nanostructured arrays of multiple-phases semiconductors for achieving a further increased photocatalytic activity.

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

Institute of Scientific and Technical Information of China (English)

无

2007-01-01

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

Photocatalytic properties of nanocrystalline TiO2 thin film with Ag additions

International Nuclear Information System (INIS)

Chang, C.-C.; Lin, C.-K.; Chan, C.-C.; Hsu, C.-S.; Chen, C.-Y.

2006-01-01

In the present study, nanocrystalline TiO 2 /Ag composite thin films were prepared by a sol-gel spin coating technique. While, by introducing polystyrene (PS) microspheres, porous TiO 2 /Ag films were obtained after calcining at a temperature of 500 o C. The as-prepared TiO 2 and TiO 2 /Ag thin films were characterized by X-ray diffractometry, and scanning electron microscopy to reveal the structural and morphological differences. In addition, the photocatalytic properties of these films were investigated by degrading methylene blue under UV irradiation. After 500 o C calcination, the microstructure of PS-TiO 2 film without Ag addition exhibited a sponge-like microstructure while significant sintering effect was noticed with Ag additions and the films exhibited a porous microstructure. Meanwhile, coalescence of nanocrystalline anatase-phase TiO 2 can be observed with respect to the sharpening of XRD diffraction peaks. The photodegradation of porous TiO 2 doped with 1 mol% Ag exhibited the best photocatalytic efficiency where 72% methylene blue can be decomposed after UV exposure for 12 h

Direct formation of new, phase-stable, and photoactive anatase-type Ti1-2XNbXScXO2 solid solution nanoparticles by hydrothermal method

International Nuclear Information System (INIS)

Hirano, Masanori; Ito, Takaharu

2008-01-01

A new anatase phase of photoactive Ti 1-2X Nb X Sc X O 2 (X = 0-0.2) solid solutions was directly formed as nanoparticles from precursor solutions of TiOSO 4 , NbCl 5 , and Sc(NO 3 ) 3 under mild hydrothermal conditions at 180 deg. C for 5 h using the hydrolysis of urea. With the increase of the content of niobium and scandium from X = 0 to 0.2, the lattice parameters a 0 and c 0 , the crystallite size, and the optical band gap of anatase gradually increased. Their photocatalytic activity and adsorptivity were evaluated separately by the measurement of the concentration of methylene blue (MB) remained in the solution in the dark or under UV-light irradiation. The anatase-type Ti 1-2X Nb X Sc X O 2 (X = 0.05) showed approximately two times and three times as high photocatalytic activity as those of the hydrothermal anatase-type pure TiO 2 and commercially available reference pure TiO 2 (ST-01), respectively. The anatase phase of Ti 1-2X Nb X Sc X O 2 (X = 0-0.2) existed stably up to 900 deg. C during heat treatment in air. New rutile-type Ti 1-2X Nb X Sc X O 2 solid solutions are formed through the phase transformation. The starting temperature of anatase-to-rutile phase transformation for Ti 1-2X Nb X Sc X O 2 (X = 0-0.2) solid solutions was delayed but its completing temperature was accelerated

Combined toxicity of two crystalline phases (anatase and rutile) of Titania nanoparticles towards freshwater microalgae: Chlorella sp

Energy Technology Data Exchange (ETDEWEB)

Iswarya, V.; Bhuvaneshwari, M.; Alex, Sruthi Ann; Iyer, Siddharth; Chaudhuri, Gouri [Centre for Nanobiotechnology, VIT University, Vellore (India); Chandrasekaran, Prathna Thanjavur [Department of Materials Engineering, Indian Institute of Science, Bangalore (India); Bhalerao, Gopalkrishna M.; Chakravarty, Sujoy [UGC-DAE CSR, Kalpakkam Node, Kokilamedu (India); Raichur, Ashok M. [Department of Materials Engineering, Indian Institute of Science, Bangalore (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)

2015-04-15

Highlights: • Toxicity of two crystalline phases of titania NPs on freshwater microalgae studied. • (Anatase, Rutile) mixture showed additive and antagonistic effect on microalgae. • Rutile had more colloidal stability than anatase and binary mixtures. • ROS generation varied with the crystallinity of the NPs. • Ultrastructural damages observed in TEM images. - Abstract: In view of the increasing usage of anatase and rutile crystalline phases of titania NPs in the consumer products, their entry into the aquatic environment may pose a serious risk to the ecosystem. In the present study, the possible toxic impact of anatase and rutile nanoparticles (individually and in binary mixture) was investigated using freshwater microalgae, Chlorella sp. at low exposure concentrations (0.25, 0.5 and 1 mg/L) in freshwater medium under UV irradiation. Reduction of cell viability as well as a reduction in chlorophyll content were observed due to the presence of NPs. An antagonistic effect was noted at certain concentrations of binary mixture such as (0.25, 0.25), (0.25, 0.5), and (0.5, 0.5) mg/L, and an additive effect for the other combinations, (0.25, 1), (0.5, 0.25), (0.5, 1), (1, 0.25), (1, 0.5), and (1, 1) mg/L. The hydrodynamic size analyses in the test medium revealed that rutile NPs were more stable in lake water than the anatase and binary mixtures [at 6 h, the sizes of anatase (1 mg/L), rutile NPs (1 mg/L), and binary mixture (1, 1 mg/L) were 948.83 ± 35.01 nm, 555.74 ± 19.93 nm, and 1620.24 ± 237.87 nm, respectively]. The generation of oxidative stress was found to be strongly dependent on the crystallinity of the nanoparticles. The transmission electron microscopic images revealed damages in the nucleus and cell membrane of algal cells due to the interaction of anatase NPs, whereas rutile NPs were found to cause chloroplast and internal organelle damages. Mis-shaped chloroplasts, lack of nucleus, and starch-pyrenoid complex were noted in binary

The swelling transition of lepidocrocite-type protonated layered titanates into anatase under hydrothermal treatment

OpenAIRE

Yuan, Huiyu; Besselink, Rogier; Liao, Zhaoliang; ten Elshof, Johan E.

2014-01-01

The common facets of anatase crystals are the (001) and (101) planes. However, the phase transformation from lepidocrocite-type titanate into anatase by hydrothermal processing yields an anatase microstructure with high concentration of exposed (010) planes. The phase transformation of a lepidocrocite-type protonated layered titanate (HTO) into anatase was studied using XRD, TEM, FTIR, and measurement of pH and zeta potential. It was found that HTO is proton-deficient. The phase transformatio...

Room temperature growth of nanocrystalline anatase TiO{sub 2} thin films by dc magnetron sputtering

Energy Technology Data Exchange (ETDEWEB)

Singh, Preetam, E-mail: preetamphy@gmail.co [Functional Nanomaterials Research Lab, Department of Physics and Centre of Nanotechnology, Indian Institute of Technology Roorkee, Roorkee 247667 (India); Kaur, Davinder [Functional Nanomaterials Research Lab, Department of Physics and Centre of Nanotechnology, Indian Institute of Technology Roorkee, Roorkee 247667 (India)

2010-03-01

We report, the structural and optical properties of nanocrystalline anatase TiO{sub 2} thin films grown on glass substrate by dc magnetron sputtering at room temperature. The influence of sputtering power and pressure over crystallinity and surface morphology of the films were investigated. It was observed that increase in sputtering power activates the TiO{sub 2} film growth from relative lower surface free energy to higher surface free energy. XRD pattern revealed the change in preferred orientation from (1 0 1) to (0 0 4) with increase in sputtering power, which is accounted for different surface energy associated with different planes. Microstructure of the films also changes from cauliflower type to columnar type structures with increase in sputtering power. FESEM images of films grown at low pressure and low sputtering power showed typical cauliflower like structure. The optical measurement revealed the systematic variation of the optical constants with deposition parameters. The films are highly transparent with transmission higher than 90% with sharp ultraviolet cut off. The transmittance of these films was found to be influenced by the surface roughness and film thickness. The optical band gap was found to decrease with increase in the sputtering power and pressure. The refractive index of the films was found to vary in the range of 2.50-2.24 with increase in sputtering pressure or sputtering power, resulting in the possibility of producing TiO{sub 2} films for device applications with different refractive index, by changing the deposition parameters.

Thermal conductivity of the amorphous and nanocrystalline phases of the beech wood biocarbon nanocomposite

Science.gov (United States)

Kartenko, N. F.; Orlova, T. S.; Parfen'eva, L. S.; Smirnov, B. I.; Smirnov, I. A.

2014-11-01

Natural composites (biocarbons) obtained by carbonization of beech wood at different carbonization temperatures T carb in the range of 800-2400°C have been studied using X-ray diffraction. The composites consist of an amorphous matrix and nanocrystallites of graphite and graphene. The volume fractions of the amorphous and nanocrystalline phases as functions of T carb have been determined. Temperature dependences of the phonon thermal conductivity κ( T) of the biocarbons with different temperatures T carb (1000 and 2400°C) have been analyzed in the range of 5-300 K. It has been shown that the behavior of κ( T) of the biocarbon with T carb = 1000°C is controlled by the amorphous phase in the range of 5-50 K and by the nanocrystalline phase in the range of 100-300 K. The character of κ( T) of the biocarbon with T carb = 2400°C is determined by the heat transfer (scattering) in the nanocrystalline phase over the entire temperature range of 5-300 K.

The swelling transition of lepidocrocite-type protonated layered titanates into anatase under hydrothermal treatment

NARCIS (Netherlands)

Yuan, H.; Besselink, R.; Liao, Zhaoliang; ten Elshof, Johan E.

2014-01-01

The common facets of anatase crystals are the (001) and (101) planes. However, the phase transformation from lepidocrocite-type titanate into anatase by hydrothermal processing yields an anatase microstructure with high concentration of exposed (010) planes. The phase transformation of a

Spontaneous and Photoinduced Conversion of CO2 on TiO2 Anatase (001)/(101) Surfaces

Czech Academy of Sciences Publication Activity Database

Ferus, Martin; Kavan, Ladislav; Zukalová, Markéta; Zukal, Arnošt; Klementová, Mariana; Civiš, Svatopluk

2014-01-01

Roč. 118, č. 46 (2014), s. 26845-26850 ISSN 1932-7447 R&D Projects: GA ČR(CZ) GAP108/12/0814; GA MŠk LD14115; GA MŠk(CZ) LD13060 Grant - others:COST(XE) CM1104 Institutional support: RVO:61388955 ; RVO:61388980 ; RVO:68081707 Keywords : TiO2 * FT-IR spectroscopy * nanocrystalline anatase Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.772, year: 2014

500 keV Ar2+ ion irradiation induced anatase to brookite phase transformation and ferromagnetism at room temperature in TiO2 thin films

Science.gov (United States)

Bharati, B.; Mishra, N. C.; Kanjilal, D.; Rath, Chandana

2018-01-01

In our earlier report, where we have demonstrated ferromagnetic behavior at room temperature (RT) in TiO2 thin films deposited through electron beam evaporation technique followed by annealing either in Ar or O2 atmosphere [Mohanty et al., Journal of Magnetism and Magnetic Materials 355 (2014) 240-245], here we have studied the evolution of structure and magnetic properties after irradiating the TiO2 thin films with 500 keV Ar2+ ions. The pristine film while exhibits anatase phase, the films become amorphous after irradiating at fluence in the range 1 × 1014 to 1 × 1016 ions/cm2. Increasing the fluence up to 5 × 1016 ions/cm2, amorphous to crystalline phase transformation occurs and the structure becomes brookite. Although anatase to rutile phase transformation is usually reported in literatures, anatase to brookite phase transformation is an unusual feature which we have reported here for the first time. Such anatase to brookite phase transformation is accompanied with grain growth without showing any change in film thickness evidenced from Rutherford's Back Scattering (RBS) measurement. From scanning probe micrographs (SPM), roughness is found to be more in amorphous films than in the crystalline ones. Anatase to brookite phase transformation could be realized by considering the importance of intermediate amorphous phase. Because due to amorphous phase, heat deposited by energetic ions are localized as dissipation of heat is less and as a result, the localized region crystallizes in brookite phase followed by grain growth as observed in highest fluence. Further, we have demonstrated ferromagnetic behavior at RT in irradiated films similar to pristine one, irrespective of their phase and crystallinity. Origin for room temperature ferromagnetism (RTFM) is attributed to the presence of oxygen vacancies which is confirmed by carrying out XPS measurement.

Electronic structure of the indium tin oxide/nanocrystalline anatase (TiO2)/ruthenium-dye interfaces in dye-sensitized solar cells

Science.gov (United States)

Lyon, J. E.; Rayan, M. K.; Beerbom, M. M.; Schlaf, R.

2008-10-01

The electronic structure of two interfaces commonly found in dye-sensitized photovoltaic cells based on nanocrystalline anatase TiO2 ("Grätzel cells") was investigated using photoemission spectroscopy (PES). X-ray photoemission spectroscopy (XPS) and ultraviolet photoemission spectroscopy (UPS) measurements were carried out on the indium tin oxide (ITO)/TiO2 and the TiO2/cis-bis(isothiocyanato)bis(2,2'-bipyridyl-4,4'-dicarboxylato)-ruthenium(II)bis-tetrabutylammonium dye ("N719" or "Ruthenium 535-bisTBA") interfaces. Both contacts were investigated using a multistep deposition procedure where the entire structure was prepared in vacuum using electrospray deposition. In between deposition steps the surface was characterized with XPS and UPS resulting in a series of spectra, allowing the determination of the orbital and band lineup at the interfaces. The results of these efforts confirm previous PES measurements on TiO2/dye contacts prepared under ambient conditions, suggesting that ambient contamination might not have significant influence on the electronic structure at the dye/TiO2 interface. The results also demonstrate that there may be a significant barrier for electron injection at the sputtered ITO/TiO2 interface and that this interface should be viewed as a semiconductor heterojunction rather than as metal-semiconductor (Schottky) contact.

Transformation of Goethite to Hematite Nanocrystallines by High Energy Ball Milling

Directory of Open Access Journals (Sweden)

O. M. Lemine

2014-01-01

Full Text Available α-Fe2O3 nanocrystallines were prepared by direct transformation via high energy ball milling treatment for α-FeOOH powder. X-ray diffraction, Rietveld analysis, TEM, and vibrating sample magnetometer (VSM are used to characterize the samples obtained after several milling times. Phase identification using Rietveld analysis showed that the goethite is transformed to hematite nanocrystalline after 40 hours of milling. HRTEM confirm that the obtained phase is mostly a single-crystal structure. This result suggested that the mechanochemical reaction is an efficient way to prepare some iron oxides nanocrystallines from raw materials which are abundant in the nature. The mechanism of the formation of hematite is discussed in text.

Preparation of anatase TiO2 nanoparticles using low hydrothermal temperature for dye-sensitized solar cell

Science.gov (United States)

Sofyan, N.; Ridhova, A.; Yuwono, A. H.; Udhiarto, A.

2018-03-01

One device being developed as an alternative source of renewable energy by utilizing solar energy source is dye-sensitized solar cells (DSSC). This device works using simple photosynthetic-electrochemical principle in the molecular level. In this device, the inorganic oxide semiconductor of titanium dioxide (TiO2) has a great potential for the absorption of the photon energy from the solar energy source, especially in the form of TiO2 nanoparticle structure. This nanoparticle structure is expected to improve the performance of DSSC because the surface area to weight ratio of this nanostructures is very large. In this study, the synthesis of TiO2 nanoparticle from its precursors has been performed along with the fabrication of the DSSC device. Effort to improve the size of nanocrystalline anatase TiO2 was accomplished by low hydrothermal treatment at various temperatures whereas the crystallinity of the anatase phase in the structure was performed by calcination process. Characterization of the materials was performed using X-ray Diffraction (XRD) and scanning electron microscope (SEM), while the DSSC performance was examined through a high precision current versus voltage (I-V) curve analyzer. The results showed that pure anatase TiO2 nanoparticles could be obtained at low hydrothermal of 100, 125, and 150 °C followed by calcination at 450 °C. The best performance of photocurrent-voltage characteristic was given by TiO2 hydrothermally synthesized at 150 °C with power conversion efficiency (PCE) of 4.40 %, whereas the standard TiO2 nanoparticles has PCE only 4.02 %. This result is very promising in terms low temperature and thus low cost of anatase TiO2 semiconductor preparation for DSSC application.

Effect of phase transitions on thermoluminescence characteristics of nanocrystalline alumina

International Nuclear Information System (INIS)

Rani, Geeta; Sahare, P.D.

2013-01-01

Highlights: •Synthesis of Al 2 O 3 nanocrystalline TLD phosphor. •Material characterizations by XRD, TEM and TL. •Change in structure and morphology of the phase transition alumina. •Change in glow curve structures and trapping parameters on phase transitions. -- Abstract: Nanocrystalline boehmite (γ-AlOOH) was synthesized by hydrothermal method using AlCl 3 ·6H 2 O and Urea as precursors. The material gets decomposed to form the γ-Al 2 O 3 phase at around 873 K on annealing in air. On annealing further at higher temperatures it gets converted into different phases, such as, δ, θ and the most stable α-phase. Not only the phase changes but the annealing has also changed the morphology of the nanomaterial, i.e. it has changed from spindle like edges to vermicular structures and also grew bigger in sizes. The formations of different phases were confirmed by the X-ray diffraction (XRD) patterns and the changes in the morphology were seen through the TEM images. Further the effect of different phases on the thermoluminescence (TL) glow curve structures was studied and it is also shown that the TL glow curves structures do change due to phase transformations. To investigate further and to determine trapping parameters, different glow curves have been theoretically deconvoluted using computerized glow curve deconvolution (CGCD method) into simple glow peaks. The values of different trapping parameters also change as the glow curve structures on phase transformations due to reorganization of energy levels and the stress/strain generated by some intermediate phases

The swelling transition of lepidocrocite-type protonated layered titanates into anatase under hydrothermal treatment

Science.gov (United States)

Yuan, Huiyu; Besselink, Rogier; Liao, Zhaoliang; Ten Elshof, Johan E.

2014-04-01

The common facets of anatase crystals are the (001) and (101) planes. However, the phase transformation from lepidocrocite-type titanate into anatase by hydrothermal processing yields an anatase microstructure with high concentration of exposed (010) planes. The phase transformation of a lepidocrocite-type protonated layered titanate (HTO) into anatase was studied using XRD, TEM, FTIR, and measurement of pH and zeta potential. It was found that HTO is proton-deficient. The phase transformation process begins after uptake of a sufficient number of protons into the lepidocrocite-type structure. With the uptake of protons new hydroxyl groups form on the internal surfaces of the layered titanate and result in a bilayer state of HTO. The phase transformation reaction is a topotactic dehydration reaction in which anatase forms and water is expelled by syneresis.

The swelling transition of lepidocrocite-type protonated layered titanates into anatase under hydrothermal treatment.

Science.gov (United States)

Yuan, Huiyu; Besselink, Rogier; Liao, Zhaoliang; Ten Elshof, Johan E

2014-04-03

The common facets of anatase crystals are the (001) and (101) planes. However, the phase transformation from lepidocrocite-type titanate into anatase by hydrothermal processing yields an anatase microstructure with high concentration of exposed (010) planes. The phase transformation of a lepidocrocite-type protonated layered titanate (HTO) into anatase was studied using XRD, TEM, FTIR, and measurement of pH and zeta potential. It was found that HTO is proton-deficient. The phase transformation process begins after uptake of a sufficient number of protons into the lepidocrocite-type structure. With the uptake of protons new hydroxyl groups form on the internal surfaces of the layered titanate and result in a bilayer state of HTO. The phase transformation reaction is a topotactic dehydration reaction in which anatase forms and water is expelled by syneresis.

Carbon-coated anatase for water purification - cyclic performance

International Nuclear Information System (INIS)

Inagaki, M.; Kojin, F.; Nonaka, M.; Toyoda, M.

2005-01-01

It was reported that carbon-coated anatase photo-catalysts were able to be prepared through a simple process and gave various advantages for water purification [1-6]. Carbon coating suppressed the phase transformation from anatase to rutile, resulting in a high crystallinity of anatase phase which was desirable for the decomposition of pollutants in water. A high adsorptivity was given to carbon-coated anatase, because of porous nature of carton layers [7]. In addition, these carbon-coated anatase powders could be fixed on the substrate by using organic binder because carbon layer interrupt the direct contact between photo-catalytic anatase particles and organic binder [1]. In the present work, cyclic performance of carbon-coated anatase was studied for the decomposition of a model pollutant, methylene blue (MB), in water by fixing the photo-catalyst particles on a tape. Carbon-coated anatase photo-catalysts were prepared by heating the powder mixtures of commercially available anatase (ST-01, Ishihara Sngyo Co., Ltd) with poly(vinyl alcohol) (PVA) in different mass ratios at 900 C in N 2 , gas flow. Carbon-coated anatase powders thus prepared were fixed on a scotch tape. Photo-catalytic activity was measured on these tapes by irradiating UV rays on one side of the tape in MB solution with 0.3x10 -5 mol/L concentration. Since carbon-coated anatase had a high adsorptivity for MB, all tapes were saturated their adsorption in a concentrated MB solution in advance. The rate constant k for MB photo-decomposition was determined from the linear relations of logarithm of relative concentration of MB in the solution, ln(c/c 0 ), with irradiation time t. In Fig. 1, changes in ln(c/c 0 ) of MB with irradiation time t were shown on two samples with different carbon contents, 8 and 2 mass%, with cycle number. Good linearity was obtained between ln(c/c 0 ) and t. The values of rate constant k calculated from these linear relations were plotted against carbon content of the

Proportion of influence phases anatase and rutile TiO_2 in the photoluminescence 538 nm emission wavelength

International Nuclear Information System (INIS)

Araujo, D.S.; Diniz, V.C.S.; Araujo, P.M.A.G.; Costa, A.C.F.M.; Viana, R.S.; Junior, S.A.

2016-01-01

TiO2 is one of the most studied materials in the technology area, especially in photoluminescent applications involving catalysts from the biosensor. Therefore, we propose to obtain the Pechini method TiO_2 molar ratio of citric acid/metal ions of 3:1 and 4:1 in order to investigate the influence of the proportion of anatase and rutile phases with the photoluminescence excitation wavelength of 538nm emission. The samples were characterized by X-ray diffraction, thermal analysis and excitation spectroscopy. The results indicate the presence of two phases, with a proportion of 78.99 and 83.58 and 21.01% of anatase and rutile 16.42%, density 3.82 and 3.70 g/cm"3 and excitement in length wave emission 538nm with maximum intensity 91289.2 and 71880,7 cps for samples 3:1 and 4:1, respectively. Sample 3:1 with the highest percentage of rutile phase favored photoluminescence. (author)

Investigating the Thermal and Phase Stability of Nanocrystalline Ni-W Produced by Electrodeposition, Sputtering, and Mechanical Alloying

Science.gov (United States)

Marvel, Christopher Jonathan

The development of nanocrystalline materials has been increasingly pursued over the last few decades. They have been shown to exhibit superior properties compared to their coarse-grain counterparts, and thus present a tremendous opportunity to revolutionize the performance of nanoscale devices or bulk structural materials. However, nanocrystalline materials are highly prone to grain growth, and if the nanocrystalline grains coarsen, the beneficial properties are lost. There is a strong effort to determine the most effective thermal stability mechanisms to avoid grain growth, but the physical nature of nanocrystalline grain growth is still unclear due to a lack of detailed understanding of nanocrystalline microstructures. Furthermore, the influence of contamination has scarcely been explored with advanced transmission electron microscopy techniques, nor has there been a direct comparison of alloys fabricated with different bulk processes. Therefore, this research has applied aberration-corrected scanning transmission electron microscopy to characterize nanocrystalline Ni-W on the atomic scale and elucidate the physical grain growth behavior. Three primary objectives were pursued: (1) explore the thermal stability mechanisms of nanocrystalline Ni-W, (2) evaluate the phase stability of Ni-W and link any findings to grain growth behavior, and (3) compare the influences of bulk fabrication processing, including electrodeposition, DC magnetron sputtering, and mechanical alloying, on the thermal stability and phase stability of Ni-W. Several thermal stability mechanisms were identified throughout the course of this research. First and foremost, W-segregation was scarcely observed to grain boundaries, and it is unclear if W-segregation improves thermal stability contrary to most reports in the 2 literature. Long-range Ni4W chemical ordering was observed in alloys with more than 20 at.% W, and it is likely Ni4W domains reduce grain boundary mobility. In addition, lattice

Fabrication of TiO{sub 2} hierarchical architecture assembled by nanowires with anatase/TiO{sub 2}(B) phase-junctions for efficient photocatalytic hydrogen production

Energy Technology Data Exchange (ETDEWEB)

Qiu, Yong; Ouyang, Feng, E-mail: ouyangfh@hit.edu.cn

2017-05-01

Highlights: • H-titanate nanowires hierarchical architectures (TNH) were prepared by a hydrothermal method. • Calcinations of TNH leads to the formation of anatase/TiO{sub 2}(B) phase-junctions. • The hierarchical architecture offered enhanced light harvesting and large specific surface area. • The 1D nanowires and anatase/TiO{sub 2}(B) phase-junctions both can enhance the separation of photoinduced electron-hole. • The products calcined at the optimum conditions (450 °C) exhibited a maximum hydrogenproduction rate of 7808 μmol g{sup −1} h{sup −1}. - Abstract: TiO{sub 2} hierarchical architecture assembled by nanowires with anatase/TiO{sub 2}(B) phase-junctions was prepared by a hydrothermal process followed by calcinations. The optimum calcination treatment (450 °C) not only led to the formation of anatase/TiO{sub 2}(B) phase-junctions, but also kept the morphology of 1D nanowire and hierarchical architecture well. The T-450 load 0.5 wt% Pt cocatalysts showed the best photocatalytic hydrogen production activity, with a maximum hydrogen production rate of 7808 μmol g{sup −1} h{sup −1}. The high photocatalytic activity is ascribed to the combined effects of the following three factors: (1) the hierarchical architecture exhibits better light harvesting; (2) the larger specific surface area provides more surface active sites for the photocatalytic reaction; (3) the 1D nanowires and anatase/TiO{sub 2}(B) phase-junctions both can enhance the separation of photoinduced electron-hole pairs and inhibit their recombination.

Phase fields of nickel silicides obtained by mechanical alloying in the nanocrystalline state

Science.gov (United States)

Datta, M. K.; Pabi, S. K.; Murty, B. S.

2000-06-01

Solid state reactions induced by mechanical alloying (MA) of elemental blends of Ni and Si have been studied over the entire composition range of the Ni-Si system. A monotonous increase of the lattice parameter of the Ni rich solid solution, Ni(Si), is observed with refinement of crystallite size. Nanocrystalline phase/phase mixtures of Ni(Si), Ni(Si)+Ni31Si12, Ni31Si12+Ni2Si, Ni2Si+NiSi and NiSi+Si, have been obtained during MA, over the composition ranges of 0-10, 10-28, 28-33, 33-50, and >50 at. % Si, respectively. The results clearly suggest that only congruent melting phases, Ni31Si12, Ni2Si, and NiSi form, while the formation of noncongruent melting phases, Ni3Si, Ni3Si2, and NiSi2, is bypassed in the nanocrystalline state. The phase formation during MA has been discussed based on thermodynamic arguments. The predicted phase fields obtained from effective free energy calculations are quite consistent with those obtained during MA.

The isolated anatase for dye sensitized solar cell

Energy Technology Data Exchange (ETDEWEB)

Ilmi, Irfan, E-mail: irfan.ilmi149@gmail.com [Postgraduate Program, Department of Chemistry, Universitas Gadjah Mada, Yogyakarta 55281 Indonesia (Indonesia); Functional Coating Materials Research Group, Department of Chemistry, Universitas Gadjah Mada, Yogyakarta 55281 Indonesia (Indonesia); Kartin, Indriana; Suyanta [Functional Coating Materials Research Group, Department of Chemistry, Universitas Gadjah Mada, Yogyakarta 55281 Indonesia (Indonesia); Department of Chemistry,Universitas Gadjah Mada, Yogyakarta 55281 Indonesia (Indonesia); Ohtani, Bunsho; Wang, Kunlei [Graduate School of Environmental and Earth Science, Hokkaido University Japan (Japan)

2015-09-30

The isolation of crystallite anatase from commercial TiO{sub 2} P25 Degussa was investigated. The aim of this research was to study of isolated anatase based DSSC as an effort to develop industrial DSSC. The crystal phase, crystallite size and crystal shape both of original P25 and isolated anatase were characterized by XRD and TEM. By observing DSSC parameters such as FF, Jsc and Voc resulted in cell test, the efficiency of samples based DSSC was known. The isolation of anatase crystal was done by dissolving P25 in ammonia catalyzed hydrogen peroxide solution for 15 hours followed by washing and drying. DSSC cell performance was evaluated by applying the isolated anantase and original P25 as photoanode in the Gratzel cell system. The observation of cell efficiency was measured under 100 mW /cm{sup 2} with active area 1.5 cm{sup 2}. X-ray diffraction pattern showed obviously that no rutile contaminant in produced isolated anatase. TEM image shows typical anatase crystal with the particle size 21 nm. Surface area measurement exhibits that surface area of isolated anatase was 64.7m{sup 2}/g. I-V measurement showed that the efficiency of anatase based cell and P25 based cell is 0.79% and 0.51% respectively.

Influence of nanocrystalline structure and surface properties of TiO2 thin films on the viability of L929 cells

Directory of Open Access Journals (Sweden)

Osękowska Małgorzata

2015-09-01

Full Text Available In this work the physicochemical and biological properties of nanocrystalline TiO2 thin films were investigated. Thin films were prepared by magnetron sputtering method. Their properties were examined by X-ray diffraction, photoelectron spectroscopy, atomic force microscopy, optical transmission method and optical profiler. Moreover, surface wettability and scratch resistance were determined. It was found that as-deposited coatings were nanocrystalline and had TiO2-anatase structure, built from crystallites in size of 24 nm. The surface of the films was homogenous, composed of closely packed grains and hydrophilic. Due to nanocrystalline structure thin films exhibited good scratch resistance. The results were correlated to the biological activity (in vitro of thin films. Morphological changes of mouse fibroblasts (L929 cell line after contact with the surface of TiO2 films were evaluated with the use of a contrast-phase microscope, while their viability was tested by MTT colorimetric assay. The viability of cell line upon contact with the surface of nanocrystalline TiO2 film was comparable to the control sample. L929 cells had homogenous cytoplasm and were forming a confluent monofilm, while lysis and inhibition of cell growth was not observed. Moreover, the viability in contact with surface of examined films was high. This confirms non-cytotoxic effect of TiO2 film surface on mouse fibroblasts.

Construction of anatase/rutile TiO2 hollow boxes for highly efficient photocatalytic performance

Science.gov (United States)

Jia, Changchao; Zhang, Xiao; Yang, Ping

2018-02-01

Hollow TiO2 hierarchical boxes with suitable anatase and rutile ratios were designed for photocatalysis. The unique hierarchical structure was fabricated via a Topotactic synthetic method. CaTiO3 cubes were acted as the sacrificial templates to create TiO2 hollow hierarchical boxes with well-defined phase distribution. The phase composition of the hollow TiO2 hierarchical boxes is similar to that of TiO2 P25 nanoparticles (∼80% anatase, and 20% rutile). Compared with nanaoparticles, TiO2 hollow boxes with hierarchical structures exhibited an excellent performance in the photocatalytic degradation of methylene blue organic pollutant. Quantificationally, the degradation rate of the hollow boxes is higher than that of TiO2 P25 nanoparticles by a factor of 2.7. This is ascribed that hollow structure provide an opportunity for using incident light more efficiently. The surface hierarchical and well-organized porous structures are beneficial to supply more active sites and enough transport channels for reactant molecules. The boxes consist of single crystal anatase and rutile combined well with each other, which gives photon-generated carriers transfer efficiently.

Fabrication and properties of Er-doped nanocrystalline phase-seperated optical fibers

Czech Academy of Sciences Publication Activity Database

Dhar, Anirban; Kašík, Ivan; Podrazký, Ondřej; Matějec, Vlastimil

2013-01-01

Roč. 11, č. 1 (2013), s. 29-35 ISSN 1336-1376 R&D Projects: GA ČR GPP102/10/P554; GA ČR GAP102/10/2139 Institutional support: RVO:67985882 Keywords : Er-doping * Phase-separated glass * Nano-crystalline optical fiber Subject RIV: JA - Electronics ; Optoelectronics, Electrical Engineering

Nanoscale Phase Stability Reversal During the Nucleation and Growth of Titanium Oxide Minerals

Science.gov (United States)

Hummmer, D. R.; Heaney, P. J.; Kubicki, J. D.; Kent, P. R.; Post, J. E.

2008-12-01

Fine-grained titanium oxide minerals are important in soils, where they affect a variety of geochemical processes. They are also industrially important as catalysts, pigments, food additives, and dielectrics. Recent research has indicated an apparent reversal of thermodynamic stability between TiO2 phases at the nanoscale thought to be caused by an increased contribution of surface energy to the total free energy. Time-resolved X-ray diffraction (XRD) experiments in which titanium oxides crystallize from aqueous TiCl4 solutions confirm that anatase, a metastable phase, is always the first phase to nucleate under our range of initial conditions. Rutile peaks are observed only minutes after the first appearance of anatase, after which anatase abundance slowly decreases while rutile continues to form. Whole pattern refinement of diffraction data reveals that lattice constants of both phases increase throughout the crystallization process. In addition, transmission electron microscope (TEM) observations and kinetic modeling indicate that anatase does not undergo a solid-state transformation to the rutile structure as once thought. Instead, anatase appears to re-dissolve and then feed the growth of already nucleated rutile nanocrystals. Density functional theory (DFT) calculations were employed to model 1, 2, and 3 nm particles of both mineral phases. The total surface energies calculated from these models did yield lower values for anatase than for rutile by 8-13 kJ/mol depending on particle size, indicating that surface free energy is sufficient to account for stability reversal. However, these whole-particle surface energies were much higher than the sum of energies of each particle's constituent crystallographic surfaces. We attribute the excess energy to defects associated with the edges and corners of nanoparticles, which are not present on a 2-D periodic surface. This previously unreported edge and corner energy may play a dominant role in the stability reversal

In-Flight Formation of Nano-Crystalline Titanium Dioxide Powder in a Plasma Jet and Its Characterization

International Nuclear Information System (INIS)

Ananthapadmanabhan, P. V.; Thiyagarajan, T. K.; Sreekumar, K. P.; Vijay, M.; Selvarajan, V.; Yu, Jiaguo; Liu, Shengwei

2010-01-01

Nanocrystalline titanium dioxide powder was synthesized by in-flight oxidation of titanium dihydride (TiH 2 ) powder in a thermal plasma jet. TiH 2 powder was injected into the thermal plasma jet and allowed to react with oxygen injected downstream the jet. Characterization of the powder by various analytical tools indicated that the powder consisted of nano-sized titanium dioxide particles consisting predominantly of the anatase phase. It is suggested that the thermo-chemistry of the oxidation process contributes significantly to the formation of nano-sized titania. The large energy released during the oxidation process dissociates the TiO 2 particles into TiO (g) and titanium vapour, which recombine downstream with oxygen and form nano particles of TiO 2 .

Growth of anatase and rutile phase TiO{sub 2} nanoparticles using pulsed laser ablation in liquid: Influence of surfactant addition and ablation time variation

Energy Technology Data Exchange (ETDEWEB)

Chaturvedi, Amita, E-mail: amita-chaturvedi@rrcat.gov.in [Laser Material Processing Division, Raja Ramanna Centre for Advanced Technology, Indore 452013, MP (India); Joshi, M.P. [Laser Material Processing Division, Raja Ramanna Centre for Advanced Technology, Indore 452013, MP (India); Homi Bhabha National Institute, Training School Complex, Anushakti Nagar, Mumbai – 400094 (India); Mondal, P.; Sinha, A.K.; Srivastava, A.K. [Indus Synchrotron Utilization Division, Raja Ramanna Centre for Advanced Technology, Indore 452013, MP (India)

2017-02-28

Highlights: • Ablations of Ti metal target were carried out in DI water and in 0.001 M SDS solution for different times using PLAL process. • Different characterization studies have been carried out to confirm the growth of TiO{sub 2} nanoparticles in both the liquid mediums. • Anatase phase TiO{sub 2} nanoparticles were obtained in DI water and rutile phase in 0.001 M SDS aqueous solution. • In surfactant solution, longer time ablation leads depletion of SDS molecules causes growth of anatase phase for 90 min. • Our studies confirmed the role of liquid ambience conditions variation over the different phase formations of nanoparticles. - Abstract: Titanium dioxide (TiO{sub 2}) nanoparticles were grown using nanosecond pulsed laser ablation of Ti target in DI water and in 0.001 M sodium dodecyl sulfate (SDS) surfactant aqueous solution. Growth was carried out with varying ablation times i. e. 30 min, 60 min and 90 min. The objective of our study was to investigate the influence of variations in liquid ambience conditions on the growth of the nanoparticles in a pulsed laser ablation in liquid (PLAL) process. Size, composition and optical properties of the grown TiO{sub 2} nanoparticles were investigated using transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), optical absorption, photoluminescence (PL) spectroscopy and X-ray diffraction (XRD) studies. The obtained nanoparticles of TiO{sub 2} were found almost spherical in shape and polycrystalline in nature in both the liquid mediums i.e. DI water and aqueous solution of surfactant. Nanoparticles number density was also found to increase with increasing ablation time in both the liquid mediums. However crystalline phase of the grown TiO{sub 2} nanoparticles differs with the change in liquid ambience conditions. Selected area electron diffraction (SAED), PL and XRD studies suggest that DI water ambience is favorable for the growth of anatase phase TiO{sub 2} nanoparticles for all

Formation of nanocrystalline and amorphous phase of Al-Pb-Si-Sn-Cu powder during mechanical alloying

International Nuclear Information System (INIS)

Ran Guang; Zhou Jingen; Xi Shengqi; Li Pengliang

2006-01-01

Al-15%Pb-4%Si-1%Sn-1.5%Cu alloys (mass fraction, %) were prepared by mechanical alloying (MA). Phase transformation and microstructure characteristics of the alloy powders were investigated by X-ray diffraction (XRD) and transmission electron microscopy (TEM). The results show that the nanocrystalline supersaturated solid solutions and amorphous phase in the powders are obtained during MA. The effect of ball milling is more evident to lead than to aluminum. During MA, the mixture powders are firstly fined, alloyed, nanocrystallized and then the nanocrystalline partly transforms to amorphous phase. A thermodynamic model is developed based on semi-experimental theory of Miedema to calculate the driving force for phase evolution. The thermodynamic analysis shows that there is no chemical driving force to form a crystalline solid solution from the elemental components. But for the amorphous phase, the Gibbs free energy is higher than 0 for the alloy with lead content in the ranges of 0-86.8 at.% and 98.4-100 at.% and lower than 0 in range of 86.8-98.4 at.%. For the Al-2.25 at.%Pb (Al-15%Pb, mass fraction, %), the driving force for formation of amorphization and nanocrystalline supersaturated solid solutions are provided not by the negative heat of mixing but by mechanical work

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

Science.gov (United States)

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

2017-03-01

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

Tetragonal-cubic phase boundary in nanocrystalline ZrO2-Y2O3 solid solutions synthesized by gel-combustion

International Nuclear Information System (INIS)

Fabregas, Ismael O.; Craievich, Aldo F.; Fantini, Marcia C.A.; Millen, Ricardo P.; Temperini, Marcia L.A.; Lamas, Diego G.

2011-01-01

Research highlights: → Gel-combustion synthesis yields compositionally homogeneous, single-phased ZrO 2 -Y 2 O 3 nanopowders, that exhibit the presence at room temperature of three different phases depending on Y 2 O 3 content, namely two tetragonal forms (t' and t'') and the cubic phase. → Phase identification can be achieved by synchrotron XPD (SXPD) and Raman spectroscopy since the tetragonal forms and the cubic phase can be distinguished by these techniques. → The crystallographic features of ZrO 2 -Y 2 O 3 nanopowders were determined by SXPD. They are similar to those reported by Yashima and coworkers for compositionally homogeneous materials containing larger (micro)crystals. However, the lattice parameters are slightly different and the axial ratios c/a of our t' samples are smaller than those reported by these authors. → Compositional t'/t'' and t''/cubic phase boundaries are located at (9 ± 1) and (10.5 ± 0.5) mol% Y 2 O 3 , respectively. → For the whole series of nanocrystalline ZrO 2 -Y 2 O 3 solid solutions studied in the present work, no evidences of the presence of a mixture of phases - as reported by Yashima and coworkers for microcrystalline solid solutions - were detected. - Abstract: By means of synchrotron X-ray powder diffraction (SXPD) and Raman spectroscopy, we have detected, in a series of nanocrystalline and compositionally homogeneous ZrO 2 -Y 2 O 3 solid solutions, the presence at room temperature of three different phases depending on Y 2 O 3 content, namely two tetragonal forms and the cubic phase. The studied materials, with average crystallite sizes within the range 7-10 nm, were synthesized by a nitrate-citrate gel-combustion process. The crystal structure of these phases was also investigated by SXPD. The results presented here indicate that the studied nanocrystalline ZrO 2 -Y 2 O 3 solid solutions exhibit the same phases reported in the literature for compositionally homogeneous materials containing larger (micro

Low-temperature synthesis and characterization of anatase TiO2 nanoparticles by an acid assisted sol–gel method

International Nuclear Information System (INIS)

Leyva-Porras, C.; Toxqui-Teran, A.; Vega-Becerra, O.; Miki-Yoshida, M.; Rojas-Villalobos, M.; García-Guaderrama, M.

2015-01-01

The synthesis of anatase TiO 2 nanoparticles by an acid-assisted sol–gel method at 25 and 80 °C is described. Specifically, acetic acid (AA) was used and the evolution of the anatase phase with the amount of AA was observed. The results of X-ray diffraction (XRD) and transmission electron microscopy (TEM) both showed that a pure anatase phase was obtained with particle size smaller than 5 nm. Structural refinements and quantitative determination of phase composition was achieved by using the Rietveld method. The particle size distribution became slightly narrower as the amount of AA was increased. Raman spectroscopy showed that when the amount of AA was increased a small amount of brookite was present at the contamination level. The anatase phase was studied by differential thermal analysis (DTA), providing phase stability up to 600 °C. These and other results were discussed in terms of particle size and structure. Likewise, the formation of the anatase phase under these synthesis conditions was explained. - Highlights: • Synthesis of anatase TiO 2 nanoparticles by an acid assisted sol–gel method at mild conditions. • Microstructure characterization by XRD, TEM and Raman spectroscopy. • Observation of the formation and evolution of the anatase phase as acetic acid was increased. • Anatase thermal stability up to 600 °C and band gap range between 3.2 and 3.5 eV. • A simplified method which can be considered as a green chemistry process

Anatase thin film with diverse epitaxial relationship grown on yttrium stabilized zirconia substrate by chemical vapor deposition

International Nuclear Information System (INIS)

Miyagi, Takahira; Ogawa, Tomoyuki; Kamei, Masayuki; Wada, Yoshiki; Mitsuhashi, Takefumi; Yamazaki, Atsushi

2003-01-01

An anatase epitaxial thin film with diverse epitaxial relationship, YSZ (001) // anatase (001), YSZ (010) // anatase (110), was grown on a single crystalline yttrium stabilized zirconia (YSZ) (001) substrate by metal organic chemical vapor deposition (MOCVD). The full width at half maximum (FWHM) of the (004) reflection of this anatase epitaxial film was 0.4deg, and the photoluminescence of this anatase epitaxial film showed visible emission with broad spectral width and large Stokes shift at room temperature. These results indicate that this anatase epitaxial film possessed almost equal crystalline quality compared with that grown under identical growth conditions on single crystalline SrTiO 3 substrate. (author)

HRTEM analysis on nanocrystalline BaTiO3 and PbTiO3: size effects on ferroelectric phase transition temperature

International Nuclear Information System (INIS)

Bursill, L.A.; Jiang, B.; Peng, J.L.; Zhong, W.L.; Zhang, P.L.

1997-01-01

High-Resolution Transmission Electron Microscopic studies of nanocrystaline particles of BaTiO 3 and PbTiO 3 are reported. There are characteristic differences observed for BaTiO 3 prepared using sol gel (SG) and steric acid gel (SAG) methods. The former exhibit a critical size below which there is no paraelectric/ferroelectric phase transition, whereas BaTiO 3 prepared via the SAG route remained cubic for all conditions. The SAG preparations always showed chemical intergrowth defects whereas the SG preparations were single phase. Atomic resolution images of both varieties showed interesting surface steps and surface relaxations/reconstructions of some facets. Nanocrystalline PbTiO 3 prepared by the SG route remains tetragonal, albeit with decreasing c/a ratio, down to 25nm diameter. HRTEM observations of nanocrystalline PbTiO 3 are also presented. X-ray diffraction, dielectric and Raman scattering measurements also demonstrate pronounced size effects. The relationship between the observed nanostructures and size effects on the physical properties is discussed. 6 refs., 1 tab., 6 figs

Low-temperature synthesis and characterization of anatase TiO{sub 2} nanoparticles by an acid assisted sol–gel method

Energy Technology Data Exchange (ETDEWEB)

Leyva-Porras, C. [Centro de Investigación en Materiales DIP-CUCEI, Universidad de Guadalajara, Av. Revolución # 1500, Col. Olímpica, C.P. 44430, Guadalajara (Mexico); Centro de Investigación en Materiales Avanzados, S.C. (CIMAV), Alianza Norte No. 202, Parque de Investigación e Innovación Tecnológica (PIIT), Carretera Aeropuerto km. 10, C.P. 66600, Apodaca, N.L. (Mexico); Toxqui-Teran, A.; Vega-Becerra, O. [Centro de Investigación en Materiales Avanzados, S.C. (CIMAV), Alianza Norte No. 202, Parque de Investigación e Innovación Tecnológica (PIIT), Carretera Aeropuerto km. 10, C.P. 66600, Apodaca, N.L. (Mexico); Miki-Yoshida, M. [Centro de Investigación en Materiales Avanzados, S.C. (CIMAV), Miguel de Cervantes No. 120, Parque Industrial Chihuahua, C.P. 31109, Chihuahua (Mexico); Rojas-Villalobos, M.; García-Guaderrama, M. [Centro de Investigación en Materiales DIP-CUCEI, Universidad de Guadalajara, Av. Revolución # 1500, Col. Olímpica, C.P. 44430, Guadalajara (Mexico); and others

2015-10-25

The synthesis of anatase TiO{sub 2} nanoparticles by an acid-assisted sol–gel method at 25 and 80 °C is described. Specifically, acetic acid (AA) was used and the evolution of the anatase phase with the amount of AA was observed. The results of X-ray diffraction (XRD) and transmission electron microscopy (TEM) both showed that a pure anatase phase was obtained with particle size smaller than 5 nm. Structural refinements and quantitative determination of phase composition was achieved by using the Rietveld method. The particle size distribution became slightly narrower as the amount of AA was increased. Raman spectroscopy showed that when the amount of AA was increased a small amount of brookite was present at the contamination level. The anatase phase was studied by differential thermal analysis (DTA), providing phase stability up to 600 °C. These and other results were discussed in terms of particle size and structure. Likewise, the formation of the anatase phase under these synthesis conditions was explained. - Highlights: • Synthesis of anatase TiO{sub 2} nanoparticles by an acid assisted sol–gel method at mild conditions. • Microstructure characterization by XRD, TEM and Raman spectroscopy. • Observation of the formation and evolution of the anatase phase as acetic acid was increased. • Anatase thermal stability up to 600 °C and band gap range between 3.2 and 3.5 eV. • A simplified method which can be considered as a green chemistry process.

Nanocrystalline Fe-Pt alloys. Phase transformations, structure and magnetism

Energy Technology Data Exchange (ETDEWEB)

Lyubina, J.V.

2006-12-21

This work has been devoted to the study of phase transformations involving chemical ordering and magnetic properties evolution in bulk Fe-Pt alloys composed of nanometersized grains. Nanocrystalline Fe{sub 100-x}Pt{sub x} (x=40-60) alloys have been prepared by mechanical ball milling of elemental Fe and Pt powders at liquid nitrogen temperature. The as-milled Fe-Pt alloys consist of {proportional_to} 100 {mu}m sized particles constituted by randomly oriented grains having an average size in the range of 10-40 nm. Depending on the milling time, three major microstructure types have been obtained: samples with a multilayer-type structure of Fe and Pt with a thickness of 20-300 nm and a very thin (several nanometers) A1 layer at their interfaces (2 h milled), an intermediate structure, consisting of finer lamellae of Fe and Pt (below approximately 100 nm) with the A1 layer thickness reaching several tens of nanometers (4 h milled) and alloys containing a homogeneous A1 phase (7 h milled). Subsequent heat treatment at elevated temperatures is required for the formation of the L1{sub 0} FePt phase. The ordering develops via so-called combined solid state reactions. It is accompanied by grain growth and thermally assisted removal of defects introduced by milling and proceeds rapidly at moderate temperatures by nucleation and growth of the ordered phases with a high degree of the long-range order. In a two-particle interaction model elaborated in the present work, the existence of hysteresis in recoil loops has been shown to arise from insufficient coupling between the low- and the high-anisotropy particles. The model reveals the main features of magnetisation reversal processes observed experimentally in exchange-coupled systems. Neutron diffraction has been used for the investigation of the magnetic structure of ordered and partially ordered nanocrystalline Fe-Pt alloys. (orig.)

Morphological and structural evolution of the anatase phase of silicon modified titanium dioxide obtained by Sol-gel; Evolucao estrutural e morfologica da fase anatase de dioxido de titanio modificada com silicio obtido pelo Metodo Sol-Gel

Energy Technology Data Exchange (ETDEWEB)

Lopes, S.A.; Oliveira, C.T.; Ciola, R.A.; Cavalheiro, A.A., E-mail: silvanicelopes@gmail.com [Universidade Estadual de Mato Grosso do Sul (CPTREN/UEMS), Navirai, MS (Brazil). Centro de Pesquisas Tecnologicas em Recursos Naturais

2011-07-01

The photonic efficiency of the titanium dioxide photocatalyst is dependent on the crystalline structure and the anatase phase presents high efficiency in the border region between the UV-B and UV-A, with a redox potential sufficient to generate hydroxyl radicals and superoxide ion in order to oxidate organic compounds. In spite of the organic matter degradation effectiveness, the efficiency can be reduced substantially due to the presence of crystalline defects, which act as premature recombination centers of the electron-hole pair. The increasing of calcining temperature allows the elimination of most of these defects, but the structural ordering at temperatures around 600°C eventually leads to the phase transition toward rutile, which is not photoactive. In this work, it was demonstrated through FTIR and XRD that the silicon modifier presence stabilizes the anatase phase even at temperatures as high as 900°C. (author)

Synthesis of anatase nanoparticles with extremely wide solid solution range and ScTiNbO6 with α-PbO2 structure

International Nuclear Information System (INIS)

Hirano, Masanori; Ito, Takaharu

2009-01-01

Anatase-type nanoparticles Sc X Ti 1-2X Nb X O 2 with wide solid solution range (X=0-0.35) were hydrothermally formed at 180 deg. C for 5 h. The lattice parameters a 0 and c 0 , and the optical band gap of anatase gradually and linearly increased with the increase of the content of niobium and scandium from X=0 to 0.35. Their photocatalytic activity and adsorptivity by the measurement of the concentration of methylene blue (MB) that remained in the solution in the dark or under UV-light irradiation were evaluated. The anatase phase existed stably up to 900 deg. C for the samples with X=0.25-0.30 and 750 deg. C for that with X=0.35 during heat treatment in air. The phase with α-PbO 2 structure and the rutile phases coexisted in the samples with X=0.25-0.30 after heated at temperatures above 900-950 deg. C. The α-PbO 2 structure having composition ScTiNbO 6 with possibly some cation order similar to that seen in wolframite existed as almost completely single phase after heat treatment at temperatures 900-1500 deg. C through phase transformation from anatase-type ScTiNbO 6 . - Graphical abstract: Anatase-type Sc X Ti 1-2X Nb X O 2 solid solutions with wide solid solution range (X=0-0.35) were hydrothermally formed as nanoparticles from the precursor solutions of Sc(NO 3 ) 3 , TiOSO 4 , NbCl 5 at 180 deg. C for 5 h using the hydrolysis of urea. Anatase-type ScTiNbO 6 was synthesized under hydrothermal condition. ScTiNbO 6 having α-PbO 2 structure with possibly some cation order similar to that seen in wolframite was formed through phase transformation above 900 deg. C.

High-Temperature Stable Anatase Titanium Oxide Nanofibers for Lithium-Ion Battery Anodes.

Science.gov (United States)

Lee, Sangkyu; Eom, Wonsik; Park, Hun; Han, Tae Hee

2017-08-02

Control of the crystal structure of electrochemically active materials is an important approach to fabricating high-performance electrodes for lithium-ion batteries (LIBs). Here, we report a methodology for controlling the crystal structure of TiO 2 nanofibers by adding aluminum isopropoxide to a common sol-gel precursor solution utilized to create TiO 2 nanofibers. The introduction of aluminum cations impedes the phase transformation of electrospun TiO 2 nanofibers from the anatase to the rutile phase, which inevitably occurs in the typical annealing process utilized for the formation of TiO 2 crystals. As a result, high-temperature stable anatase TiO 2 nanofibers were created in which the crystal structure was well-maintained even at high annealing temperatures of up to 700 °C. Finally, the resulting anatase TiO 2 nanofibers were utilized to prepare LIB anodes, and their electrochemical performance was compared to pristine TiO 2 nanofibers that contain both anatase and rutile phases. Compared to the electrode prepared with pristine TiO 2 nanofibers, the electrode prepared with anatase TiO 2 nanofibers exhibited excellent electrochemical performances such as an initial Coulombic efficiency of 83.9%, a capacity retention of 89.5% after 100 cycles, and a rate capability of 48.5% at a current density of 10 C (1 C = 200 mA g -1 ).

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.

Equilibrium lithium-ion transport between nanocrystalline lithium-inserted anatase TiO2 and the electrolyte.

Science.gov (United States)

Ganapathy, Swapna; van Eck, Ernst R H; Kentgens, Arno P M; Mulder, Fokko M; Wagemaker, Marnix

2011-12-23

The power density of lithium-ion batteries requires the fast transfer of ions between the electrode and electrolyte. The achievable power density is directly related to the spontaneous equilibrium exchange of charged lithium ions across the electrolyte/electrode interface. Direct and unique characterization of this charge-transfer process is very difficult if not impossible, and consequently little is known about the solid/liquid ion transfer in lithium-ion-battery materials. Herein we report the direct observation by solid-state NMR spectroscopy of continuous lithium-ion exchange between the promising nanosized anatase TiO(2) electrode material and the electrolyte. Our results reveal that the energy barrier to charge transfer across the electrode/electrolyte interface is equal to or greater than the barrier to lithium-ion diffusion through the solid anatase matrix. The composition of the electrolyte and in turn the solid/electrolyte interface (SEI) has a significant effect on the electrolyte/electrode lithium-ion exchange; this suggests potential improvements in the power of batteries by optimizing the electrolyte composition. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Atomic layer deposition of epitaxial layers of anatase on strontium titanate single crystals: Morphological and photoelectrochemical characterization

Energy Technology Data Exchange (ETDEWEB)

Kraus, Theodore J.; Nepomnyashchii, Alexander B.; Parkinson, B. A., E-mail: bparkin1@uwyo.edu [Department of Chemistry, School of Energy Resources, University of Wyoming, Laramie, Wyoming 82071 (United States)

2015-01-15

Atomic layer deposition was used to grow epitaxial layers of anatase (001) TiO{sub 2} on the surface of SrTiO{sub 3} (100) crystals with a 3% lattice mismatch. The epilayers grow as anatase (001) as confirmed by x-ray diffraction. Atomic force microscope images of deposited films showed epitaxial layer-by-layer growth up to about 10 nm, whereas thicker films, of up to 32 nm, revealed the formation of 2–5 nm anatase nanocrystallites oriented in the (001) direction. The anatase epilayers were used as substrates for dye sensitization. The as received strontium titanate crystal was not sensitized with a ruthenium-based dye (N3) or a thiacyanine dye (G15); however, photocurrent from excited state electron injection from these dyes was observed when adsorbed on the anatase epilayers. These results show that highly ordered anatase surfaces can be grown on an easily obtained substrate crystal.

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.

Nanocrystalline AL2 O2 powders produced by laser induced gas phase reactions

International Nuclear Information System (INIS)

Borsella, E.; Botti, S.; Martelli, S.; Zappa, G.; Giorgi, R.; Turt, S.

1993-01-01

Nanocrystalline Al 2 O 3 powders were successfully synthesized by a CO 2 laser-driven gas-phase reaction involving trimethylaluminium (Al(CH 3 ) 3 ) and nitrous-oxide (N 2 O). Ethylene (C 2 H 4 ) was added as gas sensitizer. The as-synthesized powder particles showed a considerable carbon contamination and an amorphous-like structure. After thermal treatment at 1200-1400 degrees C, the powder was transformed to hexagonal a-Al 2 O 3 with very low carbon contamination as confirmed by X-ray diffraction, X-ray photo-electron spectroscopy and chemical analysis. The calcinated powders resulted to be spherical single crystal nanoparticles with a mean size of 15-20 nm, as determined by X-ray diffraction, electron microscopy and B.E.T. specific surface measurements. The laser synthesized Al 2 O 3 particles are well suited dispersoids for intermetallic alloy technology

Phase-pure Nanocrystalline Li4Ti5O12 for Lithium ion Battery

Czech Academy of Sciences Publication Activity Database

Kalbáč, Martin; Zukalová, Markéta; Kavan, Ladislav

2003-01-01

Roč. 8, č. 1 (2003), s. 2-6 ISSN 1432-8488 R&D Projects: GA MŠk OC D14.10 Institutional research plan: CEZ:AV0Z4040901 Keywords : phase purity * Li4Ti5O12 * nanocrystalline materials Subject RIV: CG - Electrochemistry Impact factor: 1.195, year: 2003

Tetragonal-cubic phase boundary in nanocrystalline ZrO{sub 2}-Y{sub 2}O{sub 3} solid solutions synthesized by gel-combustion

Energy Technology Data Exchange (ETDEWEB)

Fabregas, Ismael O. [CINSO (Centro de Investigaciones en Solidos), CITEFA-CONICET, J.B. de La Salle 4397, 1603 Villa Martelli, Pcia. de Buenos Aires (Argentina); Craievich, Aldo F.; Fantini, Marcia C.A. [Instituto de Fisica, Universidade de Sao Paulo, Travessa R da Rua do Matao, No. 187, Cidade Universitaria, 05508-900 Sao Paulo (Brazil); Millen, Ricardo P.; Temperini, Marcia L.A. [Instituto de Quimica, Universidade de Sao Paulo, Avenida Prof. Lineu Prestes 748, Cidade Universitaria, 05508-900 Sao Paulo (Brazil); Lamas, Diego G., E-mail: dlamas@uncoma.edu.ar [CINSO (Centro de Investigaciones en Solidos), CITEFA-CONICET, J.B. de La Salle 4397, 1603 Villa Martelli, Pcia. de Buenos Aires (Argentina); Laboratorio de Caracterizacion de Materiales, Facultad de Ingenieria, Universidad Nacional del Comahue, Buenos Aires 1400, (8300) Neuquen Capital, Prov. de Neuquen (Argentina)

2011-04-21

Research highlights: > Gel-combustion synthesis yields compositionally homogeneous, single-phased ZrO{sub 2}-Y{sub 2}O{sub 3} nanopowders, that exhibit the presence at room temperature of three different phases depending on Y{sub 2}O{sub 3} content, namely two tetragonal forms (t' and t'') and the cubic phase. > Phase identification can be achieved by synchrotron XPD (SXPD) and Raman spectroscopy since the tetragonal forms and the cubic phase can be distinguished by these techniques. > The crystallographic features of ZrO{sub 2}-Y{sub 2}O{sub 3} nanopowders were determined by SXPD. They are similar to those reported by Yashima and coworkers for compositionally homogeneous materials containing larger (micro)crystals. However, the lattice parameters are slightly different and the axial ratios c/a of our t' samples are smaller than those reported by these authors. > Compositional t'/t'' and t''/cubic phase boundaries are located at (9 {+-} 1) and (10.5 {+-} 0.5) mol% Y{sub 2}O{sub 3}, respectively. > For the whole series of nanocrystalline ZrO{sub 2}-Y{sub 2}O{sub 3} solid solutions studied in the present work, no evidences of the presence of a mixture of phases - as reported by Yashima and coworkers for microcrystalline solid solutions - were detected. - Abstract: By means of synchrotron X-ray powder diffraction (SXPD) and Raman spectroscopy, we have detected, in a series of nanocrystalline and compositionally homogeneous ZrO{sub 2}-Y{sub 2}O{sub 3} solid solutions, the presence at room temperature of three different phases depending on Y{sub 2}O{sub 3} content, namely two tetragonal forms and the cubic phase. The studied materials, with average crystallite sizes within the range 7-10 nm, were synthesized by a nitrate-citrate gel-combustion process. The crystal structure of these phases was also investigated by SXPD. The results presented here indicate that the studied nanocrystalline ZrO{sub 2}-Y{sub 2}O{sub 3} solid

Electrophoretic deposition of nanocrystalline TiO2 films on Ti substrates for use in flexible dye-sensitized solar cells

International Nuclear Information System (INIS)

Tan Weiwei; Yin Xiong; Zhou Xiaowen; Zhang Jingbo; Xiao Xurui; Lin Yuan

2009-01-01

Nanocrystalline TiO 2 films were prepared on flexible Ti-metal sheets by electrophoretic deposition followed by chemical treatment with tetra-n-butyl titanate (TBT) and sintering at 450 deg. C. X-ray diffraction (XRD) analysis indicates that TBT treatment led to the formation of additional anatase TiO 2 , which plays an important role in improving the interconnection between TiO 2 particles, as well as the adherence of the film to the substrate, and in modifying the surface properties of the nanocrystalline particles. The effect of TBT treatment on the electron transport in the nanocrystalline films was studied by intensity-modulated photocurrent spectroscopy (IMPS). An increase in the conversion efficiency was obtained for the dye-sensitized solar cells with TBT-treated nanocrystalline TiO 2 films. The cell performance was further optimized by designing nanocrystalline TiO 2 films with a double-layer structure composed of a light-scattering layer and a transparent layer. The light-scattering effect of the double-layer nanocrystalline films was evaluated by diffuse reflectance spectra. Employing the double-layer nanocrystalline films as the photoelectrodes resulted in a significant improvement in the incident photo-to-current conversion efficiency of the corresponding cells due to enhanced solar absorption by light scattering. A high conversion efficiency of 6.33% was measured under illumination with 100 mW cm -2 (AM 1.5) simulated sunlight.

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

Science.gov (United States)

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

2012-03-19

Titanium dioxide has a long-standing use as a food additive. Micrometric powders are, e.g., applied as whiteners in confectionary or dairy products. Possible hazards of ingested nanometric TiO(2) particles for humans and the potential influence of varying specific surface area (SSA) are currently under discussion. Five TiO(2)-samples were analyzed for purity, crystallinity, primary particle size, SSA, ζ potential, and aggregation/agglomeration. Their potential to induce cytotoxicity, oxidative stress, and DNA damage was evaluated in human intestinal Caco-2 cells. Only anatase-rutile containing samples, in contrast to the pure anatase samples, induced significant LDH leakage or mild DNA damage (Fpg-comet assay). Evaluation of the metabolic competence of the cells (WST-1 assay) revealed a highly significant correlation between the SSA of the anatase samples and cytotoxicity. The anatase/rutile samples showed higher toxicity per unit surface area than the pure anatase powders. However, none of the samples affected cellular markers of oxidative stress. Our findings suggest that both SSA and crystallinity are critical determinants of TiO(2)-toxicity toward intestinal cells. © 2012 American Chemical Society

Elemental separation in nanocrystalline Cu-Al alloys

Science.gov (United States)

Wang, Y. B.; Liao, X. Z.; Zhao, Y. H.; Cooley, J. C.; Horita, Z.; Zhu, Y. T.

2013-06-01

Nanocrystallization by high-energy severe plastic deformation has been reported to increase the solubility of alloy systems and even to mix immiscible elements to form non-equilibrium solid solutions. In this letter, we report an opposite phenomenon—nanocrystallization of a Cu-Al single-phase solid solution by high-pressure torsion separated Al from the Cu matrix when the grain sizes are refined to tens of nanometers. The Al phase was found to form at the grain boundaries of nanocrystalline Cu. The level of the separation increases with decreasing grain size, which suggests that the elemental separation was caused by the grain size effect.

Biomimetic three-dimensional nanocrystalline hydroxyapatite and magnetically synthesized single-walled carbon nanotube chitosan nanocomposite for bone regeneration

Directory of Open Access Journals (Sweden)

Im O

2012-04-01

Full Text Available Owen Im1, Jian Li2, Mian Wang2, Lijie Grace Zhang2,3, Michael Keidar2,31Department of Biomedical Engineering, Duke University, Durham, NC; 2Department of Mechanical and Aerospace Engineering, 3Institute for Biomedical Engineering and Institute for Nanotechnology, The George Washington University, Washington, DC, USABackground: Many shortcomings exist in the traditional methods of treating bone defects, such as donor tissue shortages for autografts and disease transmission for allografts. The objective of this study was to design a novel three-dimensional nanostructured bone substitute based on magnetically synthesized single-walled carbon nanotubes (SWCNT, biomimetic hydrothermally treated nanocrystalline hydroxyapatite, and a biocompatible hydrogel (chitosan. Both nanocrystalline hydroxyapatite and SWCNT have a biomimetic nanostructure, excellent osteoconductivity, and high potential to improve the load-bearing capacity of hydrogels.Methods: Specifically, three-dimensional porous chitosan scaffolds with different concentrations of nanocrystalline hydroxyapatite and SWCNT were created to support the growth of human osteoblasts (bone-forming cells using a lyophilization procedure. Two types of SWCNT were synthesized in an arc discharge with a magnetic field (B-SWCNT and without a magnetic field (N-SWCNT for improving bone regeneration.Results: Nanocomposites containing magnetically synthesized B-SWCNT had superior cytocompatibility properties when compared with nonmagnetically synthesized N-SWCNT. B-SWCNT have much smaller diameters and are twice as long as their nonmagnetically prepared counterparts, indicating that the dimensions of carbon nanotubes can have a substantial effect on osteoblast attachment.Conclusion: This study demonstrated that a chitosan nanocomposite with both B-SWCNT and 20% nanocrystalline hydroxyapatite could achieve a higher osteoblast density when compared with the other experimental groups, thus making this nanocomposite

Microstructure and strengthening mechanisms in an FCC structured single-phase nanocrystalline Co25Ni25Fe25Al7.5Cu17.5 high-entropy alloy

International Nuclear Information System (INIS)

Fu, Zhiqiang; Chen, Weiping; Wen, Haiming; Zhang, Dalong; Chen, Zhen; Zheng, Baolong; Zhou, Yizhang; Lavernia, Enrique J.

2016-01-01

We report on a study of the design, phase formation, microstructure, mechanical behavior and strengthening mechanisms of a novel single-phase Co 25 Ni 25 Fe 25 Al 7.5 Cu 17.5 (at.%) high-entropy alloy (HEA). In this investigation, a bulk nanocrystalline (nc) Co 25 Ni 25 Fe 25 Al 7.5 Cu 17.5 HEA with the face-centered cubic (FCC) crystal structure was fabricated by mechanical alloying (MA) followed by consolidation via spark plasma sintering (SPS). The X-ray diffraction (XRD) and transmission electron microscopy (TEM) results revealed that a single FCC solid-solution phase with an average grain diameter of 24 nm was produced following MA. Following SPS, bulk samples exhibiting a bimodal microstructure with both nanoscale grains and ultra-fine grains (UFGs) and with an average grain diameter of 95 nm were obtained, possessing a single FCC solid-solution phase identical to that in the milled powders. The single-phase feature of the Co 25 Ni 25 Fe 25 Al 7.5 Cu 17.5 HEA principally resulted from remarkably high mutual solubility in most binary atom-pairs of the constituent elements, which appears to correspond to a high entropy of mixing. Approximately 5 vol.% of nanoscale twins were observed in the bulk nc samples. The bulk nc Co 25 Ni 25 Fe 25 Al 7.5 Cu 17.5 HEA exhibits a compressive yield strength of 1795 MPa with a hardness of 454 Hv, which is dramatically higher than the yield strength of most previously reported FCC structured HEAs (∼130–700 MPa). Compared to those of the bulk coarse-grained (CG) Co 25 Ni 25 Fe 25 Al 7.5 Cu 17.5 HEA fabricated by arc-melting, the yield strength and Vickers hardness values of the bulk nc samples increased by 834.9% and 251.9%, respectively. Quantitative calculations of the respective contributions from each strengthening mechanism demonstrate that grain boundary strengthening and dislocation strengthening are principally responsible for the measured ultra-high strength of the bulk nc Co 25 Ni 25 Fe 25 Al 7.5 Cu 17.5 HEA.

Production and Characterization of (004) Oriented Single Anatase TiO2 Films

Science.gov (United States)

Atay, Ferhunde; Akyuz, Idris; Cergel, Muge Soyleyici; Erdogan, Banu

2018-02-01

Highly (004) oriented anatase TiO2 films have been successfully obtained by an inexpensive ultrasonic spray pyrolysis technique at low substrate temperatures and without additional annealing. X-ray diffraction analysis, ultraviolet-visible spectroscopy and field emission scanning electron microscopy were used to analyze the structural, optical and surface properties of the films. By using the less reported TiCl4 solution, the optical band gap values falling into the visible region (between 2.70 eV and 2.92 eV) have been obtained for all films. Spectroscopic ellipsometry technique has been used to determine the dispersive refractive index and extinction coefficient of TiO2 films. Possible electrical conduction mechanisms in TiO2 films have been examined using temperature dependent conductivity measurements in the temperature range of 78-300 K. At room temperature, electrical resistivity values of TiO2 films change between 1.68 × 104 Ω cm and 5.88 × 104 Ω cm. Considering the analyzed parameters with respect to substrate temperature, this work refers to the properties of anatase TiO2 films that are strongly correlated to the growth direction, namely (004). As a result, (004) oriented anatase TiO2 films with appropriate optical band gap values are promising materials for technological applications, especially for photocatalysts.

Effects of precursors on the crystal structure and photoluminescence of CdS nanocrystalline

International Nuclear Information System (INIS)

Fu Zuoling; Zhou Shihong; Shi Jinsheng; Zhang Siyuan

2005-01-01

A series of cadmium sulfide (CdS) nanocrystalline were synthesized by precipitation from a mixture of aqueous solutions of cadmium salts and sulfur salts without adding any surface-termination agent. Their crystal structures and particle sizes were determined by X-ray diffraction (XRD). The CdS nanocrystalline precipitated from different precursors exhibited three cases: cubic phase, hexagonal phase and a hybrid of cubic and hexagonal phases. The photoluminescence (PL) of cadmium salt precursors and CdS nanocrystalline is also analyzed. Similar spectral band structure of cadmium salt precursors and CdS nanocrystalline is found. The PL of 3.4, 2.4 and 2.0 nm sized CdS nanocrystalline with the same crystal structure indicated quantum confinement effect

Mechanochemical preparation of nanocrystalline TiO2 powders and their behavior at high temperatures

International Nuclear Information System (INIS)

Gajovic, A.; Furic, K.; Tomasic, N.; Popovic, S.; Skoko, Z.; Music, S.

2005-01-01

Nanocrystalline TiO 2 powders were prepared by high-energy ball-milling using zirconia vial and balls. The changes of microstructure caused by material processing were studied using Raman spectroscopy, X-ray powder diffraction (XRD), transmission electron microscopy (TEM) and selected area electron diffraction (SAED). The milling of the starting TiO 2 powder (anatase + rutile in traces) induced phase transitions to high-pressure polymorph, TiO 2 II, and rutile. We found that the phase transition to TiO 2 II was initiated at the surface of the small particles, while transition to rutile started in their center. Changes in crystallite size during milling process were obtained by the Scherrer method, while the particle size changes were monitored by TEM. The kinetics of phase changes, a decrease in crystallite/particle size, as well as zirconia contamination depended on the powder-to-ball weight ratio. The starting powder and some selected ball-milled samples were investigated in situ by Raman spectroscopy and XRD at high temperatures (up to 1300 deg. C) to examine their behavior during the sintering process. A difference in the results obtained by these two techniques was explained in frame of basic physical properties characterizing both methods. The morphology of the final sinters was monitored by scanning electron microscopy (SEM)

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.

Synthesis of a single phase of high-entropy Laves intermetallics in the Ti-Zr-V-Cr-Ni equiatomic alloy

Science.gov (United States)

Yadav, T. P.; Mukhopadhyay, Semanti; Mishra, S. S.; Mukhopadhyay, N. K.; Srivastava, O. N.

2017-12-01

The high-entropy Ti-Zr-V-Cr-Ni (20 at% each) alloy consisting of all five hydride-forming elements was successfully synthesised by the conventional melting and casting as well as by the melt-spinning technique. The as-cast alloy consists entirely of the micron size hexagonal Laves Phase of C14 type; whereas, the melt-spun ribbon exhibits the evolution of nanocrystalline Laves phase. There was no evidence of any amorphous or any other metastable phases in the present processing condition. This is the first report of synthesising a single phase of high-entropy complex intermetallic compound in the equiatomic quinary alloy system. The detailed characterisation by X-ray diffraction, scanning and transmission electron microscopy and energy-dispersive X-ray spectroscopy confirmed the existence of a single-phase multi-component hexagonal C14-type Laves phase in all the as-cast, melt-spun and annealed alloys. The lattice parameter a = 5.08 Å and c = 8.41 Å was determined from the annealed material (annealing at 1173 K). The thermodynamic calculations following the Miedema's approach support the stability of the high-entropy multi-component Laves phase compared to that of the solid solution or glassy phases. The high hardness value (8.92 GPa at 25 g load) has been observed in nanocrystalline high-entropy alloy ribbon without any cracking. It implies that high-yield strength ( 3.00 GPa) and the reasonable fracture toughness can be achieved in this high-entropy material.

Growth of anatase titanium dioxide nanotubes via anodization

Directory of Open Access Journals (Sweden)

Ed Adrian Dilla

2012-06-01

Full Text Available In this work, titanium dioxide nanotubes were grown via anodization of sputtered titanium thin films using different anodization parameters in order to formulate a method of producing long anatase titanium dioxide nanotubes intended for solar cell applications. The morphological features of the nanotubes grown via anodization were explored using a Philips XL30 Field Emission Scanning Electron Microscope. Furthermore, the grown nanotubes were also subjected to X-ray diffraction and Raman spectroscopy in order to investigate the effect of the predominant crystal orientation of the parent titanium thin film on the crystal phase of the nanotubes. After optimizing the anodization parameters, nanotubes with anatase TiO2 crystal phase and tube length more than 2 microns was produced from parent titanium thin films with predominant Ti(010 crystal orientation and using ammonium fluoride in ethylene glycol as an electrolyte with a working voltage equal to 60V during 1-hour anodization runs.

High-pressure X-ray diffraction study of bulk- and nanocrystalline GaN

DEFF Research Database (Denmark)

Jorgensen, J.E.; Jakobsen, J.M.; Jiang, Jianzhong

2003-01-01

Bulk- and nanocrystalline GaN have been studied by high-pressure energy-dispersive X-ray diffraction. Pressure-induced structural phase transitions from the wurtzite to the NaCl phase were observed in both materials. The transition pressure was found to be 40 GPa for the bulk-crystalline GaN, while...... the wurtzite phase was retained up to 60 GPa in the case of nanocrystalline GaN. The bulk moduli for the wurtzite phases were determined to be 187 ( 7) and 319 ( 10) GPa for the bulk- and nanocrystalline phases, respectively, while the respective NaCl phases were found to have very similar bulk moduli [ 208...

The radiation response of mesoporous nanocrystalline zirconia thin films

Energy Technology Data Exchange (ETDEWEB)

Manzini, Ayelén M.; Alurralde, Martin A. [Comisión Nacional de Energía Atómica, Centro Atómico Constituyentes, Av. General Paz 1499, 1650 San Martin, Provincia de Buenos Aires (Argentina); Giménez, Gustavo [Instituto Nacional de Tecnología Industrial - CMNB, Av. General Paz 5445, 1650 San Martín, Provincia de Buenos Aires (Argentina); Luca, Vittorio, E-mail: vluca@cnea.gov.ar [Comisión Nacional de Energía Atómica, Centro Atómico Constituyentes, Av. General Paz 1499, 1650 San Martin, Provincia de Buenos Aires (Argentina)

2016-12-15

pattern of films prepared at both 350 and 500 °C implying either a monoclinic-to-tetragonal or a monoclinic-to-amorphous transition. This irradiation at very high doses resulted in film shrinkage and a loss of mesopore ordering but little or no degradation of the crystallinity of the tetragonal phase. A small increase in the crystalline domain size of the tZrO{sub 2} phase was noted in these films. In contrast, single-phase Ce{sup 3+}-stabilized tetragonal nanocrystalline zirconia mesoporous films prepared at 350 °C suffered considerable loss of crystalline order when irradiated at 82 dpa. This loss of crystallinity was less pronounced in films heated to 500 °C. The loss of crystallinity of the tetragonal phase in the Ce-stabilized tetragonal zirconia thin films w.r.t. the tetragonal phase in the unstabilized films was attributed to the oxygen vacancies introduced in the latter due to the need for charge compensation. - Highlights: • Radiation response mesoporous and nanocrystalline Ce{sub x}Zr{sub 1-x}O{sub 2} thin films measured. • Radiation response evaluated using X-ray scattering methods XRR and GIXRD. • Irradiation resulted in film shrinkage and elimination of the monoclinic phase. • In unstabilized films the tetragonal ZrO{sub 2} phase was stable up to 82 dpa. • Very little grain growth occurred even at the highest doses.

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 ...

A variational multiscale constitutive model for nanocrystalline materials

KAUST Repository

Gurses, Ercan

2011-03-01

This paper presents a variational multi-scale constitutive model in the finite deformation regime capable of capturing the mechanical behavior of nanocrystalline (nc) fcc metals. The nc-material is modeled as a two-phase material consisting of a grain interior phase and a grain boundary effected zone (GBAZ). A rate-independent isotropic porous plasticity model is employed to describe the GBAZ, whereas a crystal-plasticity model which accounts for the transition from partial dislocation to full dislocation mediated plasticity is employed for the grain interior. The constitutive models of both phases are formulated in a small strain framework and extended to finite deformation by use of logarithmic and exponential mappings. Assuming the rule of mixtures, the overall behavior of a given grain is obtained via volume averaging. The scale transition from a single grain to a polycrystal is achieved by Taylor-type homogenization where a log-normal grain size distribution is assumed. It is shown that the proposed model is able to capture the inverse HallPetch effect, i.e., loss of strength with grain size refinement. Finally, the predictive capability of the model is validated against experimental results on nanocrystalline copper and nickel. © 2010 Elsevier Ltd. All rights reserved.

Direct growth of transparent conducting Nb-doped anatase TiO2 polycrystalline films on glass

International Nuclear Information System (INIS)

Yamada, Naoomi; Kasai, Junpei; Hitosugi, Taro; Hoang, Ngoc Lam Huong; Nakao, Shoichiro; Hirose, Yasushi; Shimada, Toshihiro; Hasegawa, Tetsuya

2009-01-01

This paper proposes a novel sputter-based method for the direct growth of transparent conducting Ti 1-x Nb x O 2 (TNO) polycrystalline films on glass, without the need for any postdeposition treatments, by the use of an initial seed-layer. Anatase TNO epitaxial films grown on LaAlO 3 (100) substrates under a reducing atmosphere exhibited a low resistivity (ρ) of (3-6)x10 -4 Ω cm. On glass, however, highly resistive rutile phase polycrystalline films (ρ∼100 Ω cm) formed preferentially under the same conditions. These results suggest that epitaxial stabilization of the oxygen-deficient anatase phase occurs on lattice-matched substrates. To produce a similar effect on a glass surface, we deposited a seed-layer of anatase TNO with excellent crystallinity under an increased oxygen atmosphere. As a result, anatase phase TNO polycrystalline films could be grown even under heavily reducing atmospheres. An optimized film exhibited ρ=1.1x10 -3 Ω cm and optical absorption lower than 10% in the visible region. This ρ value is more than one order of magnitude lower than values reported for directly deposited TNO polycrystalline films. This indicates that the seed-layer method has considerable potential for producing transparent conducting TNO polycrystalline films on glass.

Synthesis and photocatalytic activity of mesoporous nanocrystalline Fe-doped titanium dioxide

KAUST Repository

Qamar, Mohd

2014-07-01

Synthesis of mesoporous nanocrystalline iron-doped titania following the sol-gel method is presented in this work. Samples with various molar ratios (0.1, 0.25, 0.5, 1.0, 2.5, 5.0, 10 and 20%) of Fe to Ti were prepared. The particle size was found to be in the range of ∼12 nm while mesopores were approximately near to ∼5.5 nm. The effect of Fe as doping element on titania properties, such as crystallite size, surface area, pore size, pore volume and d-spacing was investigated. Moreover, distribution of Fe in TiO2 matrix was determined by elemental mapping whereas change in absorption properties was evaluated by diffuse reflectance spectroscopy. It was observed that as the Fe content was increased, a partial phase transformation from anatase to rutile and pseudorutile took place. Effect of ultraviolet, ultraviolet-visible and visible radiations on the photocatalytic activity of these catalysts was studied by removal of Methyl Orange as model pollutant. As results, it was found that the photocatalytic activity of such catalysts depends strongly on Fe amount and type of radiation. © 2013 Elsevier B.V.

Nanocrystalline SnO2 formation by oxygen ion implantation in tin thin films

Science.gov (United States)

Kondkar, Vidya; Rukade, Deepti; Kanjilal, Dinakar; Bhattacharyya, Varsha

2018-03-01

Metallic tin thin films of thickness 100 nm are deposited on fused silica substrates by thermal evaporation technique. These films are implanted with 45 keV oxygen ions at fluences ranging from 5 × 1015 to 5 × 1016 ions cm-2. The energy of the oxygen ions is calculated using SRIM in order to form embedded phases at the film-substrate interface. Post-implantation, films are annealed using a tube furnace for nanocrystalline tin oxide formation. These films are characterized using x-ray diffraction, Raman spectroscopy, UV-vis spectroscopy and photoluminescence spectroscopy. XRD and Raman spectroscopy studies reveal the formation of single rutile phase of SnO2. The size of the nanocrystallites formed decreases with an increase in the ion fluence. The nanocrystalline SnO2 formation is also confirmed by UV-vis and photoluminescence spectroscopy.

Synthesis of anatase and rutile TiO{sub 2} nanostructures from natural ilmenite

Energy Technology Data Exchange (ETDEWEB)

Wahyuingsih, Sayekti, E-mail: sayekti@mipa.uns.ac.id; Ramelan, Ari Handono; Pramono, Edi; Sulistya, Ariantama Djati; Argawan, Panji Rofa; Dharmawan, Frenandha Dwi; Rinawati, Ludfiaastu; Hanif, Qonita Awliya [Inorganic Materials Research Group, Faculty of Mathematic and Natural Science, Sebelas Maret University (Indonesia); Sulistiyono, Eko; Firdiyono, Florentinus [Metallurgy Extraction Laboratory, Central of Metallurgy Research LIPI, Serpong (Indonesia)

2016-02-08

Nanostructure anatase and rutile type TiO{sub 2} were synthesized from dissolution roasted ilmenite from natural ilmenite sand as the starting materials. Anatase TiO{sub 2} and rutile TiO{sub 2} (high crystallinity) with the diameters of 20–100 nm were obtained by calcined soluble ilmenite sand produced by leaching process. Calcinations of the xerogel TiO{sub 2} from liquor products were conducted for 4 hours at temperature of 450 °C. The samples were characterized by XRD (X-ray diffraction), STA (simultant thermal analysis), TEM (Transmission Electron Microscopy), and BET surface area. Titania Anatase-Rutile form as a mixture were produced by titania slag with the hydrolysis product. While, in another route, complete titania anatase phase was produced through hydrolysis and condensation steps of leach liquors. This synthesis methods provide a simple route to fabricate nanostructure TiO{sub 2} from low cost material.

Metal-to-Insulator Transition in Anatase TiO2 Thin Films Induced by Growth Rate Modulation

Energy Technology Data Exchange (ETDEWEB)

Tachikawa, T; Minohara, M.; Nakanishi, Y.; Hikita, Y.; Yoshita, M.; Akiyama, H.; Bell, C.; Hwang, H.Y.

2012-06-21

We demonstrate control of the carrier density of single phase anatase TiO{sub 2} thin films by nearly two orders of magnitude by modulating the growth kinetics during pulsed laser deposition, under fixed thermodynamic conditions. The resistivity and the intensity of the photoluminescence spectra of these TiO{sub 2} samples, both of which correlate with the number of oxygen vacancies, are shown to depend strongly on the growth rate. A quantitative model is used to explain the carrier density changes.

Metal-to-Insulator Transition in Anatase TiO2 Thin Films Induced by Growth Rate Modulation

International Nuclear Information System (INIS)

Tachikawa, Takashi

2012-01-01

We demonstrate control of the carrier density of single phase anatase TiO 2 thin films by nearly two orders of magnitude by modulating the growth kinetics during pulsed laser deposition, under fixed thermodynamic conditions. The resistivity and the intensity of the photoluminescence spectra of these TiO 2 samples, both of which correlate with the number of oxygen vacancies, are shown to depend strongly on the growth rate. A quantitative model is used to explain the carrier density changes.

Biomimetic three-dimensional nanocrystalline hydroxyapatite and magnetically synthesized single-walled carbon nanotube chitosan nanocomposite for bone regeneration

Science.gov (United States)

Im, Owen; Li, Jian; Wang, Mian; Zhang, Lijie Grace; Keidar, Michael

2012-01-01

Background Many shortcomings exist in the traditional methods of treating bone defects, such as donor tissue shortages for autografts and disease transmission for allografts. The objective of this study was to design a novel three-dimensional nanostructured bone substitute based on magnetically synthesized single-walled carbon nanotubes (SWCNT), biomimetic hydrothermally treated nanocrystalline hydroxyapatite, and a biocompatible hydrogel (chitosan). Both nanocrystalline hydroxyapatite and SWCNT have a biomimetic nanostructure, excellent osteoconductivity, and high potential to improve the load-bearing capacity of hydrogels. Methods Specifically, three-dimensional porous chitosan scaffolds with different concentrations of nanocrystalline hydroxyapatite and SWCNT were created to support the growth of human osteoblasts (bone-forming cells) using a lyophilization procedure. Two types of SWCNT were synthesized in an arc discharge with a magnetic field (B-SWCNT) and without a magnetic field (N-SWCNT) for improving bone regeneration. Results Nanocomposites containing magnetically synthesized B-SWCNT had superior cytocompatibility properties when compared with nonmagnetically synthesized N-SWCNT. B-SWCNT have much smaller diameters and are twice as long as their nonmagnetically prepared counterparts, indicating that the dimensions of carbon nanotubes can have a substantial effect on osteoblast attachment. Conclusion This study demonstrated that a chitosan nanocomposite with both B-SWCNT and 20% nanocrystalline hydroxyapatite could achieve a higher osteoblast density when compared with the other experimental groups, thus making this nanocomposite promising for further exploration for bone regeneration. PMID:22619545

Synthesis and Characterization of Anatase TiO_2 Powder using a Homogeneous Precipitation Method

International Nuclear Information System (INIS)

Choi, Soon Ok; Cho, Jee Hee; Lim, Sung Hwan; Chung, Eun Young

2011-01-01

This paper studies the experimental method that uses the homogeneous precipitation method to prepare mica flakes coated with anatase-type titania pearlescent pigment with urea as precipitant. The optimum technology parameters, the chemical composition, the microstructure, and the color property of resulting pigments are discussed. The coating principle of mica coated titania with various coating thickness is analyzed by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy(TEM) and tested by spectrophotometer analysis. The colored nanocrystalline pigments with different morphology and coating thickness 45-170 nm were prepared by homogeneous precipitation treatment of TiOSO_4(titanum oxysulfate) aqueous solutions. Characterizations on the pigments show that the pearlescent effects of the pigments depend mainly on mica size, thickness of the metal oxide deposit, its chemical composition, and crystal structure.

RBS analysis of substoichiometric TiO{sub 2}-anatase thin films for visible-light photocatalysis

Energy Technology Data Exchange (ETDEWEB)

Ager, F.J. [Depto. Fisica Aplicada I, Escuela Universitaria Politecnica, Universidad de Sevilla, C. Virgen de Africa 7, E-41011 Sevilla (Spain) and Centro Nacional de Aceleradores, Av. Thomas A. Edison, E-41092 Sevilla (Spain)]. E-mail: fjager@us.es; Justicia, I. [ICMAB/CSIC, Campus UAB, 08193 Bellaterra (Spain); Gerbasi, R. [Istituto di Chimica Inorganica e delle Superficie, Corso Stati Uniti 4, I-35127 Padova (Italy); Battiston, G.A. [Istituto di Chimica Inorganica e delle Superficie, Corso Stati Uniti 4, I-35127 Padova (Italy); McSporran, N. [ICMAB/CSIC, Campus UAB, 08193 Bellaterra (Spain); Figueras, A. [ICMAB/CSIC, Campus UAB, 08193 Bellaterra (Spain); CFATA-UNAM, Juriquilla, Queretaro, C.P. 76230 Queretaro (Mexico)

2006-08-15

The anatase phase of TiO{sub 2} is the most promising photocatalyst for organic pollutants degradation. However, due to the large anatase band gap energy the possibility of using visible sunlight as energy source for the photocalatysis activation is ruled out and ultraviolet (UV) radiation with a wave length below the critical limit is thus required. Inducing defects in the anatase crystalline structure in the form of oxygen substoichiometry may theoretically reduce this large band gap energy. This paper focuses on the determination of the stoichiometry of TiO{sub 2} thin films and its influence on the photodegradation properties.

Magnetic induction heating of FeCr nanocrystalline alloys

International Nuclear Information System (INIS)

Gómez-Polo, C.; Larumbe, S.; Pérez-Landazábal, J.I.; Pastor, J.M.; Olivera, J.; Soto-Armañanzas, J.

2012-01-01

In this work the thermal effects of magnetic induction heating in (FeCr) 73.5 Si 13.5 Cu 1 B 9 Nb 3 amorphous and nanocrystalline wires were analyzed. A single piece of wire was immersed in a glass capillary filled with water and subjected to an ac magnetic field (frequency, 320 kHz). The initial temperature rise enabled the determination of the effective Specific Absorption Rate (SAR). Maximum SAR values are achieved for those samples displaying high magnetic susceptibility, where the eddy current losses dominate the induction heating behavior. Moreover, the amorphous sample with Curie temperature around room temperature displays characteristic features of self-regulated hyperthermia. - Highlights: ► Amorphous and nanocrystalline Fe based alloys with tailored Curie temperature of the amorphous phase. ► Induction heating effects under the action of a ac magnetic field. ► Self-regulated characteristics based on the control of the Curie temperature. ► Dominant role of the eddy-current losses in the self-heating phenomena.

Synthesis of nanocrystalline Y2O3 in a specially designed atmospheric pressure radio frequency thermal plasma reactor

International Nuclear Information System (INIS)

Dhamale, G. D.; Mathe, V. L.; Bhoraskar, S. V.; Sahasrabudhe, S. N.; Ghorui, S.

2015-01-01

Synthesis of yttrium oxide nanoparticles in a specially designed radio frequency thermal plasma reactor is reported. Good crystallinity, narrow size distribution, low defect state concentration, high purity, good production rate, single-step synthesis, and simultaneous formation of nanocrystalline monoclinic and cubic phases are some of the interesting features observed. Synthesized particles are characterized through X-ray diffraction, transmission electron microscopy, scanning electron microscopy, Fourier transform infrared spectroscopy, thermo-luminescence (TL), and Brunauer–Emmett–Teller surface area analysis. Polymorphism of the nanocrystalline yttria is addressed in detail. Synthesis mechanism is explored through in-situ emission spectroscopy. Post-synthesis environmental effects and possible methods to eliminate the undesired phases are probed. Defect states are investigated through the study of TL spectra

Preparation of thermally stable anatase TiO2 photocatalyst from TiOF2 precursor and its photocatalytic activity

International Nuclear Information System (INIS)

Lv Kangle; Yu Jiaguo; Cui Longzhe; Chen Shulin; Li Mei

2011-01-01

Graphical abstract: The prepared anatase TiO 2 from TiOF 2 shows very high thermal stability (up to 1000 o C) and the 700 o C-calcined sample showed the highest photocatalytic activity. Display Omitted Research highlights: → TiOF 2 was prepared by a simple microwave assisted hydrothermal rout. → Anatase TiO 2 prepared by calcination of TiOF 2 shows high thermal stability. → F - play an important role in the improvement thermal stability of anatase TiO 2 . → The 700 o C-calcined sample shows the highest photocatalytic activity. - Abstract: Preparation of anatase TiO 2 with high themal stability is of great importance for its environmental application. In this work, TiOF 2 was first synthesized by a simple microwave-assisted hydrothermal route using tetrabutyl titanate and hydrofluoric acid as precursors at 200 o C for 20 min. Then the resulted precipitates were calcined at different temperatures (300-1000 o C) for 2 h. The as-prepared samples were characterized by X-ray diffraction, Raman spectrum, scanning electron microscopy, N 2 adsorption-desorption isotherms and X-ray photoelectron spectroscopy. The photocatalytic activity was evaluated using Brilliant Red X3B, an anionic azo dye, as the target organic molecule under UV light irradiation. The results showed that the prepared TiOF 2 exhibited weak or no photocatalytic activity. The phase transformation of TiOF 2 to anatase TiO 2 occurred at about 300 o C. The prepared anatase TiO 2 from TiOF 2 showed very high thermal stability and the anatase-to-rutile phase transformation temperature was up to 1000 o C. Fluoride ions played an important role in the improvement of thermal stability of anatase TiO 2 by strongly adsorbing on the crystal planes of anatase to stabilize the anatase structure. The 700 o C-calcined sample showed the highest photocatalytic activity due to its relative good crystallization and high specific surface areas.

XRD Analysis of Nanocrystalline Anatase Powders Prepared by Various Chemical Routes: Correlations between Micro-structure and Crystal Structure Parameters

Czech Academy of Sciences Publication Activity Database

Matěj, Z.; Matějová, Lenka; Kužel, R.

2013-01-01

Roč. 28, Suppl. 2 (2013), s. 161-183 ISSN 0885-7156 Grant - others:UK(CZ) UNCE 204023/2012; MŠk(CZ) GAP108/11/1539 Institutional support: RVO:67985858 Keywords : anatase * crystallite size * lattice parameters * XRD * vacancies * anisotropy Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.586, year: 2013

Individual and binary toxicity of anatase and rutile nanoparticles towards Ceriodaphnia dubia

International Nuclear Information System (INIS)

Iswarya, V.; Bhuvaneshwari, M.; Chandrasekaran, N.; Mukherjee, Amitava

2016-01-01

Highlights: • Individual, binary toxicity of anatase and rutile NPs studied on Ceriodaphnia dubia. • Anatase and rutile phases showed differential effect upon variation in irradiation. • Mixture induced antagonistic at visible and additive effect at UV-A irradiation. • Marking-Dawson model fitted more appropriately than Abbott model. • Agglomeration played a major role in the toxicity induced by the mixture. - Abstract: Increasing usage of engineered nanoparticles, especially Titanium dioxide (TiO_2) in various commercial products has necessitated their toxicity evaluation and risk assessment, especially in the aquatic ecosystem. In the present study, a comprehensive toxicity assessment of anatase and rutile NPs (individual as well as a binary mixture) has been carried out in a freshwater matrix on Ceriodaphnia dubia under different irradiation conditions viz., visible and UV-A. Anatase and rutile NPs produced an LC_5_0 of about 37.04 and 48 mg/L, respectively, under visible irradiation. However, lesser LC_5_0 values of about 22.56 (anatase) and 23.76 (rutile) mg/L were noted under UV-A irradiation. A toxic unit (TU) approach was followed to determine the concentrations of binary mixtures of anatase and rutile. The binary mixture resulted in an antagonistic and additive effect under visible and UV-A irradiation, respectively. Among the two different modeling approaches used in the study, Marking-Dawson model was noted to be a more appropriate model than Abbott model for the toxicity evaluation of binary mixtures. The agglomeration of NPs played a significant role in the induction of antagonistic and additive effects by the mixture based on the irradiation applied. TEM and zeta potential analysis confirmed the surface interactions between anatase and rutile NPs in the mixture. Maximum uptake was noticed at 0.25 total TU of the binary mixture under visible irradiation and 1 TU of anatase NPs for UV-A irradiation. Individual NPs showed highest uptake under

Individual and binary toxicity of anatase and rutile nanoparticles towards Ceriodaphnia dubia

Energy Technology Data Exchange (ETDEWEB)

Iswarya, V.; Bhuvaneshwari, M.; Chandrasekaran, N.; Mukherjee, Amitava, E-mail: amit.mookerjea@gmail.com

2016-09-15

Highlights: • Individual, binary toxicity of anatase and rutile NPs studied on Ceriodaphnia dubia. • Anatase and rutile phases showed differential effect upon variation in irradiation. • Mixture induced antagonistic at visible and additive effect at UV-A irradiation. • Marking-Dawson model fitted more appropriately than Abbott model. • Agglomeration played a major role in the toxicity induced by the mixture. - Abstract: Increasing usage of engineered nanoparticles, especially Titanium dioxide (TiO{sub 2}) in various commercial products has necessitated their toxicity evaluation and risk assessment, especially in the aquatic ecosystem. In the present study, a comprehensive toxicity assessment of anatase and rutile NPs (individual as well as a binary mixture) has been carried out in a freshwater matrix on Ceriodaphnia dubia under different irradiation conditions viz., visible and UV-A. Anatase and rutile NPs produced an LC{sub 50} of about 37.04 and 48 mg/L, respectively, under visible irradiation. However, lesser LC{sub 50} values of about 22.56 (anatase) and 23.76 (rutile) mg/L were noted under UV-A irradiation. A toxic unit (TU) approach was followed to determine the concentrations of binary mixtures of anatase and rutile. The binary mixture resulted in an antagonistic and additive effect under visible and UV-A irradiation, respectively. Among the two different modeling approaches used in the study, Marking-Dawson model was noted to be a more appropriate model than Abbott model for the toxicity evaluation of binary mixtures. The agglomeration of NPs played a significant role in the induction of antagonistic and additive effects by the mixture based on the irradiation applied. TEM and zeta potential analysis confirmed the surface interactions between anatase and rutile NPs in the mixture. Maximum uptake was noticed at 0.25 total TU of the binary mixture under visible irradiation and 1 TU of anatase NPs for UV-A irradiation. Individual NPs showed highest

Antibacterial activity of single crystalline silver-doped anatase TiO{sub 2} nanowire arrays

Energy Technology Data Exchange (ETDEWEB)

Zhang, Xiangyu, E-mail: zhangxiangyu@tyut.edu.cn; Li, Meng; He, Xiaojing; Hang, Ruiqiang; Huang, Xiaobo; Wang, Yueyue; Yao, Xiaohong; Tang, Bin, E-mail: tangbin@tyut.edu.cn

2016-05-30

Graphical abstract: The silver-doped TiO{sub 2} nanowire arrays on titanium foil substrate were synthesized via a two-step process. It includes: deposition of AgTi films on titanium foil by magnetron sputtering; preparation of AgNW arrays on AgTi films via alkali (NaOH) hydrothermal treatment and ion-exchange with HCl, followed by calcinations. - Highlights: • Ag-doped TiO{sub 2} nanowire arrays have been prepared by a duplex-treatment. • The duplex-treatment consisted of magnetron sputtering and hydrothermal growth. • Ag-doped nanowire arrays show excellent antibacterial activity against E. coli. - Abstract: Well-ordered, one-dimensional silver-doped anatase TiO{sub 2} nanowire (AgNW) arrays have been prepared through a hydrothermal growth process on the sputtering-deposited AgTi layers. Electron microscope analyses reveal that the as-synthesized AgNW arrays exhibit a single crystalline phase with highly uniform morphologies, diameters ranging from 85 to 95 nm, and lengths of about 11 μm. Silver is found to be doped into TiO{sub 2} nanowire evenly and mainly exists in the zerovalent state. The AgNW arrays show excellent efficient antibacterial activity against Escherichia coli (E. coli), and all of the bacteria can be killed within 1 h. Additionally, the AgNW arrays can still kill E. coli after immersion for 60 days, suggesting the long-term antibacterial property. The technique reported here is environmental friendly for formation of silver-containing nanostructure without using any toxic organic solvents.

The nature of excess electrons in anatase and rutile from hybrid DFT and RPA.

Science.gov (United States)

Spreafico, Clelia; VandeVondele, Joost

2014-12-21

The behavior of excess electrons in undoped and defect free bulk anatase and rutile TiO2 has been investigated by state-of-the-art electronic structure methods including hybrid density functional theory (DFT) and the random phase approximation (RPA). Consistent with experiment, charge trapping and polaron formation is observed in both anatase and rutile. The difference in the anisotropic shape of the polarons is characterized, confirming for anatase the large polaron picture. For anatase, where polaron formation energies are small, charge trapping is observed also with standard hybrid functionals, provided the simulation cell is sufficiently large (864 atoms) to accommodate the lattice relaxation. Even though hybrid orbitals are required as a starting point for RPA in this system, the obtained polaron formation energies are relatively insensitive to the amount of Hartree-Fock exchange employed. The difference in trapping energy between rutile and anatase can be obtained accurately with both hybrid functionals and RPA. Computed activation energies for polaron hopping and delocalization clearly show that anatase and rutile might have different charge transport mechanisms. In rutile, only hopping is likely, whereas in anatase hopping and delocalization are competing. Delocalization will result in conduction-band-like and thus enhanced transport. Anisotropic conduction, in agreement with experimental data, is observed, and results from the tendency to delocalize in the [001] direction in rutile and the (001) plane in anatase. For future work, our calculations serve as a benchmark and suggest RPA on top on hybrid orbitals (PBE0 with 30% Hartree-Fock exchange), as a suitable method to study the rich chemistry and physics of TiO2.

Hydrothermal synthesis and enhanced photocatalytic activity of mixed-phase TiO2 powders with controllable anatase/rutile ratio

Science.gov (United States)

Wang, Qi; Qiao, Zhi; Jiang, Peng; Kuang, Jianlei; Liu, Wenxiu; Cao, Wenbin

2018-03-01

In this study, mixed-phase TiO2 powders were novelly synthesized via a facile and mild hydrothermal method without any post-heat treatment. TiOSO4 and peroxide titanic acid (PTA) were used as inorganic titanium sources, while no special solvent or additive were introduced. The XRD and TEM results showed the mixed-phase TiO2 powders were composed of anatase and rutile phases, and the PTA sol played an important role on forming the rutile nucleus. The proportion of rutile in the mixed-phase TiO2 could be easily controlled in the range of 0%-70.5% by changing the amount of PTA sol used in the synthesis process. The UV-Visible absorption spectra indicated the prepared mixed-phase TiO2 showed enhanced visible light absorption with the increase of rutile ratio. The photodegradation experiments revealed the mixed-phase TiO2 exhibited the best photocatalytic activity at the rutile ratio of 41.5%, while a higher or lower rutile ratio both resulted in the decrease of photocatalytic activity.

Synthesis and photocatalytic activity of anatase TiO2 nanoparticles for degradation of methyl orange

Science.gov (United States)

Singh, Manmeet; Duklan, Neha; Singh, Pritpal; Sharma, Jeewan

2018-05-01

In present study, TiO2 nanoparticles, in anatase form, were successfully synthesized using TiCl4 as precursor. These nanoparticles were synthesized by sol-gel method at room temperature (298 K). As prepared samples were characterized for phase structure, optical absorption and surface properties using X-ray diffraction (XRD), field emission scanning electron microscopy (FE-SEM), transmission electron microscopy (TEM), Raman spectroscopy and UV-Visible spectroscopy. The synthesized TiO2 nanoparticles sample was compared with one of the most efficient commercial photocatalyst Degussa TiO2 also known as P(25). The effect of phase composition of anatase TiO2 nanoparticles, as compared to P(25), on photocatalytic decomposition of organic dye, methyl orange (MO) was studies under UV light illumination. An enhanced degradation of hazardous dye was observed in the presence of anatase TiO2 nanoparticles as compared to P(25) due to slow recombination rate. Other possible reasons for this enhancement have also been discussed.

Formation of local nanocrystalline structure in a boron steel induced by electropulsing

International Nuclear Information System (INIS)

Ma, Bingdong; Zhao, Yuguang; Ma, Jun; Guo, Haichao; Yang, Qing

2013-01-01

Highlights: ► The local NC structures in the uniform size of ∼15 nm were obtained by electropulsing. ► The NC structures were made up of γ-Fe without any other phases coexisting. ► The reduction in nucleation barrier of the γ-Fe helped form the local γ-Fe NC structure. ► The steel consisting of the lath martensitic and the γ-Fe nanocrystalline structure exhibits high mechanical properties. - Abstract: Nanocrystalline γ-Fe was obtained locally in a cold-rolled boron steel as a result of transient high-energy electropulsing. The nano-grains of γ-Fe were uniformly about 15 nm in size. No phases other than γ-Fe have been found in the nanocrystalline structure. It is believed that the pulse current enhances the nucleation rate of γ-Fe phase during the phase transformation from α-Fe to γ-Fe, resulting in the formation of local nanostructure. Moreover, in this study the steel consisting of the lath martensitic and the γ-Fe nanocrystalline structure exhibits high mechanical properties.

Gel–sol synthesis and aging effect on highly crystalline anatase ...

Indian Academy of Sciences (India)

Gel–sol synthesis and aging effect on highly crystalline anatase nanopowder .... −1 in static air. To identify the gel-phase, it was mixed with D2O to form sample solution ... Ti(OH)4 chemical composition is produced this way: Ti3. [. (OC2H4)3 N. ].

Infrared absorption study of hydrogen incorporation in thick nanocrystalline diamond films

International Nuclear Information System (INIS)

Tang, C.J.; Neves, A.J.; Carmo, M.C.

2005-01-01

We present an infrared (IR) optical absorbance study of hydrogen incorporation in nanocrystalline diamond films. The thick nanocrystalline diamond films were synthesized by microwave plasma-assisted chemical vapor deposition and a high growth rate about 3.0 μm/h was achieved. The morphology, phase quality, and hydrogen incorporation were assessed by means of scanning electron microscopy, Raman spectroscopy, and Fourier-transform infrared spectroscopy (FTIR). Large amount of hydrogen bonded to nanocrystalline diamond is clearly evidenced by the huge CH stretching band in the FTIR spectrum. The mechanism of hydrogen incorporation is discussed in light of the growth mechanism of nanocrystalline diamond. This suggests the potential of nanocrystalline diamond for IR electro-optical device applications

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.

Photochemical solar cells based on dye-sensitization of nanocrystalline TiO{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Deb, S.K.; Ellingson, R.; Ferrere, S.; Frank, A.J.; Gregg, B.A.; Nozik, A.J.; Park, N.; Schlichthoerl, G. [National Renewable Energy Lab., Golden, CO (United States)

1998-09-01

A photoelectrochemical solar cell that is based on the dye-sensitization of thin nanocrystalline films of TiO{sub 2} (anatase) nanoparticles in contact with a non-aqueous liquid electrolyte is described. The cell, fabricated at NREL, shows a conversion efficiency of {approximately} 9.2% at AM1.5, which approaches the best reported value of 10--11% by Graetzel at EPFL in Lausanne, Switzerland. The femtosecond (fs) pump-probe spectroscopy has been used to time resolve the injection of electrons into the conduction band of nanocrystalline TiO{sub 2} films under ambient conditions following photoexcitation of the adsorbed Ru(II)-complex dye. The measurement indicates an instrument-limited {minus}50 fs upper limit on the electron injection time. The authors also report the sensitization of nanocrystalline TiO{sub 2} by a novel iron-based dye, CIS-[Fe{sup II}(2,2{prime}-bipyridine-4,4,{prime}-dicarboxylic acid){sub 2}(CN){sub 2}], a chromophore with an extremely short-lived, nonemissive excited state. The dye also exhibits a unique band selective sensitization through one of its two absorption bands. The operational principle of the device has been studied through the measurement of electric field distribution within the device structure and studies on the pH dependence of dye-redox potential. The incorporation of WO{sub 3}-based electrochromic layer into this device has led to a novel photoelectrochromic device structure for smart window application.

Influence of heat treatment on the structural, morphological and ...

Indian Academy of Sciences (India)

TixSi1−xO2 thin films were formed onto unheated p-silicon and quartz substrates by sputtering composite target of Ti80Si20 using ... indicated the growth of nanocrystalline with anatase phase of TiO2. ... mbar by employing diffusion pump and ...

Nanocrystalline permanent magnets with enhanced properties

International Nuclear Information System (INIS)

Leonowicz, M.

2002-01-01

Parameters of permanent magnets result from the combination of intrinsic properties such as saturation magnetization, magnetic exchange, and magnetocrystalline energy, as well as microstructural parameters such as phase structure, grain size, and orientation. Reduction of grain size into nanocrystalline regime (∼ 50 nm) leads to the enhanced remanence which derives from ferromagnetic exchange coupling between highly refined grains. In this study the fundamental phenomena, quantities, and structure parameters, which define nanophase permanent magnets are presented and discussed. The theoretical considerations are confronted with experimental data for nanocrystalline Sm-Fe-N type permanent magnets. (author)

Magnetic properties of nanocrystalline pyrrhotite prepared by high-energy milling

DEFF Research Database (Denmark)

Balaz, P.; Godocikova, E.; Alacova, A.

2004-01-01

The nanocrystalline pyrrhotite was prepared by high-energy milling of lead sulphide with elemental Fe acting as reducing element. X-ray diffractometry, Mossbauer spectroscopy and VSM magnetometry were used to determine the properties of nanocrystalline iron sulphide prepared by the corresponding...... mechanochemical reaction. Pyrrhotite Fe1-xS together with the residual Fe metal were identified by the X-ray diffractometry. The kinetic studies performed by Mossbauer spectroscopy and VSM magnetometry allowed us to follow in more details the progress of the nanocrystalline magnetic phase formation during...

Anatase/rutile TiO2 composites: Influence of the mixing ratio on the photocatalytic degradation of Malachite Green and Orange II in slurry

International Nuclear Information System (INIS)

Bojinova, A.; Kralchevska, R.; Poulios, I.; Dushkin, C.

2007-01-01

The present study is directed to clarify the influence of the ratio of anatase to rutile phase, containing in the TiO 2 samples, on their activity as photocatalysts in slurry. A series of samples corresponding to different percentages of anatase is prepared from commercial anatase and rutile TiO 2 brands (KRONOS). The crystalline phase composition of the samples is characterized by X-ray diffraction. The photocatalytic action of the mixtures is tested in photodegradation of the commercial organic dyes Malachite Green Hydrochloride and Orange II in aqueous solutions under UV irradiation. Comparative tests with Degussa P-25 are performed. The apparent rate constants of the process are determined from the kinetic curves using appropriate models. They generally increase with the anatase ratio, being always larger for Malachite Green than for Orange II

Surface energy effects on the stability of anatase and rutile nanocrystals: A predictive diagram for Nb_2O_5-doped-TiO_2

International Nuclear Information System (INIS)

Silva, Andre Luiz da; Hotza, Dachamir; Castro, Ricardo H.R.

2017-01-01

Highlights: • Anatase-rutile phase transition diagram was built for nano Nb_2O_5-doped-TiO_2. • Nb_2O_5-doping postpones the anatase-to-rutile transition. • The stability crossover for TiO_2 was 17.3 nm, for 2 mol% Nb_2O_5-doped-TiO_2 ∼30 nm. • The surface energy for Nb_2O_5-doped-TiO_2 decreases systematically with Nb concentration. - Abstract: Titanium dioxide nanoparticles are widely used for photocatalysis, and the relative fraction of titanium dioxide polymorph, i.e. anatase, rutile, or brookite, significantly affects the final performance. Even though conventional phase diagrams indicate a higher stability for the rutile polymorph, it is well established that nanosizes benefit the anatase phase due to its smaller surface energy. However, doping elements are expected to change this behavior, once changes in both surface and bulk energies may occur. Nb_2O_5 is commonly added to TiO_2 to allow property control. However, the effect of niobium on the relative stability of anatase and rutile phases is not well understood from the thermodynamic point of view. The objective of this work was to build a new predictive nanoscale phase diagram for Nb_2O_5-doped TiO_2. Water adsorption microcalorimetry and high temperature oxide melt solution were used to obtain the surface and bulk enthalpies. The phase diagram obtained shows the stable titania polymorph as a function of the composition and size.

Uncertainty propagation in a multiscale model of nanocrystalline plasticity

International Nuclear Information System (INIS)

Koslowski, M.; Strachan, Alejandro

2011-01-01

We characterize how uncertainties propagate across spatial and temporal scales in a physics-based model of nanocrystalline plasticity of fcc metals. Our model combines molecular dynamics (MD) simulations to characterize atomic-level processes that govern dislocation-based-plastic deformation with a phase field approach to dislocation dynamics (PFDD) that describes how an ensemble of dislocations evolve and interact to determine the mechanical response of the material. We apply this approach to a nanocrystalline Ni specimen of interest in micro-electromechanical (MEMS) switches. Our approach enables us to quantify how internal stresses that result from the fabrication process affect the properties of dislocations (using MD) and how these properties, in turn, affect the yield stress of the metallic membrane (using the PFMM model). Our predictions show that, for a nanocrystalline sample with small grain size (4 nm), a variation in residual stress of 20 MPa (typical in today's microfabrication techniques) would result in a variation on the critical resolved shear yield stress of approximately 15 MPa, a very small fraction of the nominal value of approximately 9 GPa. - Highlights: → Quantify how fabrication uncertainties affect yield stress in a microswitch component. → Propagate uncertainties in a multiscale model of single crystal plasticity. → Molecular dynamics quantifies how fabrication variations affect dislocations. → Dislocation dynamics relate variations in dislocation properties to yield stress.

Phase Competition Induced Bio-Electrochemical Resistance and Bio-Compatibility Effect in Nanocrystalline Zr x -Cu100-x Thin Films.

Science.gov (United States)

Badhirappan, Geetha Priyadarshini; Nallasivam, Vignesh; Varadarajan, Madhuri; Leobeemrao, Vasantha Priya; Bose, Sivakumar; Venugopal, Elakkiya; Rajendran, Selvakumar; Angleo, Peter Chrysologue

2018-07-01

Nano-crystalline Zrx-Cu100-x (x = 20-100 at.%) thin films with thickness ranging from 50 to 185 nm were deposited by magnetron co-sputtering with individual Zr and Cu targets. The as-sputtered thin films were characterized by Field Emission Scanning Electron Microscope (FE-SEM), Atomic Force Microscopy (AFM) and Glancing Incidence X-ray Diffraction (GIXRD) for structural and morphological properties. The crystallite size was found to decrease from 57 nm to 37 nm upon increasing the Zr content from 20 to 30 at.% with slight increase in the lattice strain from 0.17 to 0.33%. Further, increase in Zr content to 40 at.% leads to increase in the crystallite size to 57 nm due to stabilization of C10Zr7 phase along with the presence of nanocrystalline Cu-Zr phase. A bimodal distribution of grain size was observed from FE-SEM micrograph was attributed to the highest surface roughness in Zr30Cu70 thin films comprised of Cu10Zr7, Cu9Zr2, Cu-Zr intermetallic phases. In-vitro electrochemical behaviors of nano-crystalline Zrx-Cu100-x thin films in simulated body fluid (SBF) were investigated using potentiodynamic polarization studies. Electrochemical impedance spectroscopy (EIS) data fitting by equivalent electrical circuit fit model suggests that inner bulk layer contributes to high bio-corrosion resistance in Zrx-Cu100-x thin films with increase in Zr content. The results of cyto-compatibility assay suggested that Zr-Cu thin film did not introduce cytotoxicity to osteoblast cells, indicating its suitability as a bio-coating for minimally invasive medical devices.

Peroxy-Titanium Complex-based inks for low temperature compliant anatase thin films.

Science.gov (United States)

Shabanov, N S; Asvarov, A Sh; Chiolerio, A; Rabadanov, K Sh; Isaev, A B; Orudzhev, F F; Makhmudov, S Sh

2017-07-15

Stable highly crystalline titanium dioxide colloids are of paramount importance for the establishment of a solution-processable library of materials that could help in bringing the advantages of digital printing to the world of photocatalysis and solar energy conversion. Nano-sized titanium dioxide in the anatase phase was synthesized by means of hydrothermal methods and treated with hydrogen peroxide to form Peroxy-Titanium Complexes (PTCs). The influence of hydrogen peroxide on the structural, optical and rheological properties of titanium dioxide and its colloidal solutions were assessed and a practical demonstration of a low temperature compliant digitally printed anatase thin film given. Copyright © 2017 Elsevier Inc. All rights reserved.

Correlation between the nanocrystalline Sm(Fe,Mo){sub 12} and its out of equilibrium phase Sm(Fe,Mo){sub 10}

Energy Technology Data Exchange (ETDEWEB)

Khazzan, S. [CMTR, ICMPE, UMR7182, CNRS - Université Paris Est, 2-8 rue Henri Dunant, F-94320 Thiais (France); Laboratoire Matériaux Organisation et Propriétés, Faculté des Sciences de Tunis, Université de Tunis El Manar, 2092 Tunis (Tunisia); Bessais, L., E-mail: bessais@glvt.cnrs.fr [CMTR, ICMPE, UMR7182, CNRS - Université Paris Est, 2-8 rue Henri Dunant, F-94320 Thiais (France); Van Tendeloo, G. [EMAT, University of Antwerp, B-2020 Antwerp (Belgium); Mliki, N. [Laboratoire Matériaux Organisation et Propriétés, Faculté des Sciences de Tunis, Université de Tunis El Manar, 2092 Tunis (Tunisia)

2014-08-01

Nanostructured Sm–Fe–Mo semi-hard magnetic material exhibiting enhanced magnetic properties can be produced by ball milling followed by recrystallization. Milled samples were annealed for 30 min in a vacuum at different temperatures (T{sub A}) between 700 and 1190 °C. The effects of heat treatment and Mo content on structural and magnetic property changes have been investigated by means of X-ray diffraction using the Rietveld method, transmission electron microscopy and magnetic measurements. For samples annealed at T{sub A}>900°C the tetragonal ThMn{sub 12}-type structure is identified, while for 700phase. This novel nanocrystalline phase has never been synthesized before. The correspondent stoichiometry is determined on the basis of the vacancy model. The Rietveld analysis gives a stoichiometry ratio equal to 1:10, for the out of equilibrium hexagonal phase, which is described with three crystallographic transition metal sites: 3g is fully occupied, 6l occupation is limited to hexagons surrounding the Fe dumbbell pairs 2e. We have performed a magnetic and structural study of nanocrystalline metastable P6/mmm Sm(Fe{sub 1−x}Mo{sub x}){sub 10}, correlated with structural transformation towards its equilibrium derivative I4/mmm Sm(Fe{sub 1−x}Mo{sub x}){sub 12}. A maximum of the coercive field H{sub C} (H{sub C}>5kOe) has been observed for the new hexagonal P6/mmm phase suggesting that nanocrystalline Sm(Fe,Mo){sub 10}, is a semi-hard material, and is potential candidate for magnetic recording. - Highlights: • A study of the structure and magnetic properties of SmFeMo compound. • A new out of equilibrium P6/mmm-type structure was found. • Correlation between the 1/12 phase and its out of equilibrium 1/10 phase.

Coexistence of an anatase/TiO2(B) heterojunction and an exposed (001) facet in TiO2 nanoribbon photocatalysts synthesized via a fluorine-free route and topotactic transformation.

Science.gov (United States)

Wang, Changhua; Zhang, Xintong; Liu, Yichun

2014-05-21

In this work, we report a novel approach to fabricate hierarchical TiO2 microspheres (HTMS) assembled by ultrathin nanoribbons where an anatase/TiO2(B) heterojunction and high energy facet coexist. The as-adopted approach involves (1) nonaqueous solvothermal treatment of a mixture of tetrabutyl titanate and acetic acid and (2) topotactical transformation into HTMS via thermal annealing. By this approach, the TiO2(B) phase usually synthesized from an alkaline treatment route could be initially formed. Subsequently, phase transition from TiO2(B) to anatase TiO2 occurs upon thermal treatment. It is demonstrated that such phase transition is accompanied by crystallographic orientation along the c-axis of anatase and TiO2(B) crystals, resulting in not only a coherent interface between two phases but also oriented attachment of anatase mesocrystals along the [001] direction, and finally high-energy (001) facet exposure. Interestingly, this work provides an alternative fluorine-free route for the synthesis of TiO2 crystals with high-energy (001) facet exposure. The structural analysis reveals that lattice-match induced topotactic transformation from TiO2(B) to anatase is the sole reason for the (001) facet exposure of anatase TiO2. The photocatalytic test for acetaldehyde decomposition shows that HTMS with anatase/TiO2(B) heterojunction and high-energy (001) facet exhibits superior photocatalytic efficiency compared with the relevant commercial product P25, which can be ascribed to the synergistic effect of large surface area, anatase/TiO2(B) heterojunction as well as high-energy facet exposure.

Coexistence of an anatase/TiO2(B) heterojunction and an exposed (001) facet in TiO2 nanoribbon photocatalysts synthesized via a fluorine-free route and topotactic transformation

Science.gov (United States)

Wang, Changhua; Zhang, Xintong; Liu, Yichun

2014-04-01

In this work, we report a novel approach to fabricate hierarchical TiO2 microspheres (HTMS) assembled by ultrathin nanoribbons where an anatase/TiO2(B) heterojunction and high energy facet coexist. The as-adopted approach involves (1) nonaqueous solvothermal treatment of a mixture of tetrabutyl titanate and acetic acid and (2) topotactical transformation into HTMS via thermal annealing. By this approach, the TiO2(B) phase usually synthesized from an alkaline treatment route could be initially formed. Subsequently, phase transition from TiO2(B) to anatase TiO2 occurs upon thermal treatment. It is demonstrated that such phase transition is accompanied by crystallographic orientation along the c-axis of anatase and TiO2(B) crystals, resulting in not only a coherent interface between two phases but also oriented attachment of anatase mesocrystals along the [001] direction, and finally high-energy (001) facet exposure. Interestingly, this work provides an alternative fluorine-free route for the synthesis of TiO2 crystals with high-energy (001) facet exposure. The structural analysis reveals that lattice-match induced topotactic transformation from TiO2(B) to anatase is the sole reason for the (001) facet exposure of anatase TiO2. The photocatalytic test for acetaldehyde decomposition shows that HTMS with anatase/TiO2(B) heterojunction and high-energy (001) facet exhibits superior photocatalytic efficiency compared with the relevant commercial product P25, which can be ascribed to the synergistic effect of large surface area, anatase/TiO2(B) heterojunction as well as high-energy facet exposure.

Synthesis and properties of nickel-doped nanocrystalline barium hexaferrite ceramic materials

Science.gov (United States)

Waqar, Moaz; Rafiq, Muhammad Asif; Mirza, Talha Ahmed; Khalid, Fazal Ahmad; Khaliq, Abdul; Anwar, Muhammad Sabieh; Saleem, Murtaza

2018-04-01

M-type barium hexaferrite ceramics have emerged as important materials both for technological and commercial applications. However, limited work has been reported regarding the investigation of nanocrystalline Ni-doped barium hexaferrites. In this study, nanocrystalline barium hexaferrite ceramics with the composition BaFe12- x Ni x O19 (where x = 0, 0.3 and 0.5) were synthesized by sol-gel method and characterized using X-ray diffraction, Fourier transform infrared spectroscopy, scanning electron microscopy, vibrating sample magnetometer and precision impedance analyzer. All the synthesized samples had single magnetoplumbite phase having space group P63/mmc showing the successful substitution of Ni in BaFe12O19 without the formation of any impurity phase. Average grain size of undoped samples was around 120 nm which increased slightly with the addition of Ni. Saturation magnetization ( M s) and remnant magnetization ( M r) increased with the addition of Ni, however, coercivity ( H c) decreased with the increase in Ni from x = 0 to x = 0.5. Real and imaginary parts of permittivity decreased with the increasing frequency and increased with Ni content. Dielectric loss and conductivity showed slight variation with the increase in Ni concentration.

Low-temperature fabrication of TiO2 nanocrystalline film electrodes for dye-sensitized solar cells

Energy Technology Data Exchange (ETDEWEB)

Shan, G.; Lee, K.E.; Charboneau, C.; Demopoulos, G.P.; Gauvin, R. [McGill Univ., Montreal, PQ (Canada). Dept. of Materials Engineering; Savadogo, O. [Ecole Polytechnique de Montreal, PQ (Canada). Dept. de Genie Chimique

2008-07-01

Dye-sensitized solar cells (DSSCs) have the potential to render solar energy widely accessible. The deposition of titania nano-crystalline powders on a substrate is an important step in the manufacture of the DSSC. The deposition forms a mesoporous thin film that is followed by thermal treatment and sensitization. Usually titania films are deposited on glass by screen printing and then annealed at temperatures as high as 530 degrees C to provide a good electrical contact between the semiconductor particles and crystallization of the anatase phase. Several research and development efforts have focused on the deposition of titania film on flexible plastic substrates that will simplify the whole manufacturing process in terms of flexibility, weight, application and cost. Lower temperature processing is needed for the preparation of plastic-based titania film electrodes, but this has proven to be counterproductive when it comes to the cell's conversion efficiency. This paper presented a comprehensive evaluation of the different coating and annealing techniques at low temperature as well as important processing factors for improvement. To date, these techniques include pressing, hydrothermal process, electrodeposition, electrophoretic deposition, microwave or UV irradiation, and lift-off technique.

Electrodeposition and Characterization of Nanocrystalline Ni-Mo Catalysts for Hydrogen Production

OpenAIRE

Halim, J.; Abdel-Karim, R.; El-Raghy, S.; Nabil, M.; Waheed, A.

2012-01-01

Ni-Mo nanocrystalline deposits (7–43 nm) with a nodular morphology were prepared by electrodeposition using direct current from citrate-ammonia solutions. They exhibited a single Ni-Mo solid solution phase. The size of the nodules increased as electroplating current density increased. The molybdenum content—estimated using EDX analysis—in the deposits decreased from about 31 to 11 wt% as the current density increased from 5 to 80 mA·cm−2. The highest microhardness value (285 Hv) corresponded ...

Enhanced visible-light activities for PEC water reduction of CuO nanoplates by coupling with anatase TiO2 and mechanism

International Nuclear Information System (INIS)

Li, Zhijun; Qu, Yang; He, Guangwen; Humayun, Muhammad; Chen, Shuangying; Jing, Liqiang

2015-01-01

Graphical abstract: - Highlights: • CuO nanoplates were successfully prepared as photocathodes for PEC water reduction. • Visible-light activity for PEC water reduction is improved after coupling with TiO 2 . • Improved PEC performance is attributed to the enhanced visible-excited charge separation. • Enhanced charge separation results from high-energy electron transfer from CuO to TiO 2 . - Abstract: CuO nanoplates were prepared by a feasible hydrothermal method, and then utilized as photocathodes for photoelectrochemical (PEC) water reduction in a neutral medium under visible-light irradiation. It is clearly demonstrated that the visible-light activities of the resulting nanoplates for PEC water reduction could be greatly improved after coupling with a proper amount of nanocrystalline anatase TiO 2 . This is attributed to the enhanced charge separation in the fabricated TiO 2 /CuO nanoplate composites mainly based on the atmosphere-controlled steady-state surface photovoltage spectra. Moreover, it is suggested that the enhanced charge separation resulted from the transfer of visible-light-excited high-energy electrons from CuO to TiO 2 as confirmed from the single-wavelength PEC behavior

Temperature effects during Ostwald ripening on structural and bandgap properties of TiO2 nanoparticles prepared by sonochemical synthesis

International Nuclear Information System (INIS)

Gonzalez-Reyes, L.; Hernandez-Perez, I.; Diaz-Barriga Arceo, L.; Dorantes-Rosales, H.; Arce-Estrada, E.; Suarez-Parra, R.; Cruz-Rivera, J.J.

2010-01-01

Anatase TiO 2 nanocrystalline (6 nm) with BET specific surface area of 300 m 2 /g and direct bandgap of 3.31 eV were prepared sonochemically and then it was subjected to thermal treatment from 400 to 900 deg. C for 2 h, in order to produce variable anatase-rutile ratio. Three stages were considered in the samples thermally treated: (i) anatase grains coarsening as a result of heat treatment temperature increasing the structural homogeneity and crystallinity and both phenomena produce a reduction in the specific surface area, (ii) coexistence of two phases (anatase and rutile) separated by a transition region, called an interface, and (iii) process where the rutile grains evolve into a new equilibrium shape without the presence of anatase phase, minimizing the total surface and the grain boundary energies, by mass transport diffusion. In this last stage the rutile phase has the sole function of growth and densification. The structure evolution, morphology and microstructure characteristics were obtained by X-ray diffraction (XRD) and transmission electron microscopy (TEM). All the stages of phase transformation are subject to thermal effects that stem from the redistribution of energy in the system. The UV-vis absorption spectra show that direct and indirect transitions can take place in the same sample simultaneously. This is attributed to the combined effect of samples with variable anatase-rutile ratio and particle size effect.

Simultaneous synthesis of anatase colloidal and multiple-branched rutile TiO{sub 2} nanostructures

Energy Technology Data Exchange (ETDEWEB)

Nguyen, Trong Tung; Duong, Ngoc Huyen [School of Engineering Physics, Hanoi University of Science and Technology, Hanoi (Viet Nam); Mai, Xuan Dung [Dept. of Chemistry, Hanoi Pedagogical University No2, Vinh Phuc (Viet Nam)

2017-03-15

Facile synthesis of titanium dioxide (TiO{sub 2} ) nanostructures with controllability over their cystallinity, dimensions, and shape is in demand for diverse optoelectronic applications. Anatase colloidal particles and precipitates of rutile bundles were synthesized simultaneously using HCl catalyzed sol–gel process with titanium tetrachloride as Ti precursor. The crystallinity and the morphology of these two separable TiO{sub 2} phases were studied by X-ray diffraction, Raman spectroscopy, and transmission electron microscopy. The results show that by varying HCl concentration during synthesis, dimensions of colloidal anatase can be tuned from spherical particles with a diameter of 2–5 nm to nanorods of dimension of 4 nm (width) × 14 nm (length). The rutile bundles whose size increased with aging time consisted of multiple branches with elongation along c-axis. Both anatase nanorods and rutile bundles can be applied as highly efficient photocatalysts or electron conduits.

SINTERING EFFECTS ON THE DENSIFICATION OF NANOCRYSTALLINE HYDROXYAPATITE

Directory of Open Access Journals (Sweden)

M. Amiriyan

2011-06-01

Full Text Available The effects of sintering profiles on the densification behaviour of synthesized nanocrystalline hydroxyapatite (HA powder were investigated in terms of phase stability and mechanical properties. A wet chemical precipitation method was successfully employed to synthesize a high purity and single phase HA powder. Green HA compacts were prepared and subjected to sintering in air atmosphere over a temperature range of 700° C to 1300° C. In this study two different holding times were compared, i.e. 1 minute versus the standard 120 minutes. The results revealed that the 1 minute holding time sintering profile was indeed effective in producing a HA body with high density of 98% theoretical when sintered at 1200° C. High mechanical properties such as fracture toughness of 1.41 MPa.m1/2 and hardness of 9.5 GPa were also measured for HA samples sintered under this profile. Additionally, XRD analysis indicated that decomposition of the HA phase during sintering at high temperatures was suppressed.

Effect of oxygen vacancies on Li-storage of anatase TiO2 (001 ...

Indian Academy of Sciences (India)

2018-03-29

Mar 29, 2018 ... (a–d) Top and side views of the optimum structure of anatase TiO2 (001) surfaces adsorbing a single Li .... Rate capability is an important requirement for a promis- .... tific Research Foundation of Hunan Provincial Education.

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

Science.gov (United States)

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

2010-03-01

Titanium dioxide thin films have been synthesized by sol-gel spin coating technique on glass and silicon substrates with and without surfactant polyethylene glycol (PEG). XRD and SEM results confirm the presence of nano-crystalline (anatase) phase at an annealing temperature of 300 degrees C. The influence of surfactant and annealing temperature on optical properties of TiO(2) thin films has been studied. Optical constants and film thickness were estimated by Swanepoel's (envelope) method and by ellipsometric measurements in the visible spectral range. The optical transmittance and reflectance were found to decrease with an increase in PEG percentage. Refractive index of the films decreased and film thickness increased with the increase in percentage of surfactant. The refractive index of the un-doped TiO(2) films was estimated at different annealing temperatures and it has increased with the increasing annealing temperature. The optical band gap of pure TiO(2) films was estimated by Tauc's method at different annealing temperature. Copyright 2010 Elsevier B.V. All rights reserved.

Phase transformation in nanocrystalline α-quartz GeO2 up to 51.5 GPa

International Nuclear Information System (INIS)

Wang, H; Liu, J F; Wu, H P; He, Y; Chen, W; Wang, Y; Zeng, Y W; Wang, Y W; Luo, C J; Liu, J; Hu, T D; Stahl, K; Jiang, J Z

2006-01-01

The high-pressure behaviour of nanocrystalline α-quartz GeO 2 (q-GeO 2 ) with average crystallite sizes of 40 and 260 nm has been studied by in situ high-pressure synchrotron radiation x-ray diffraction measurements up to about 51.5 GPa at ambient temperature. Two phase transformations, q-GeO 2 to amorphous GeO 2 and amorphous GeO 2 to monoclinic GeO 2 , are detected. The onset and end of the transition pressures for the q-GeO 2 -to-amorphous GeO 2 phase transition are found to be approximately 10.8 and 14.9 GPa for the 40 nm q-GeO 2 sample, and 9.5 and 12.4 GPa for the 260 nm q-GeO 2 sample, respectively. The mixture of amorphous and monoclinic GeO 2 phases remains up to 51.5 GPa during compression and even after pressure release. This result strongly suggests that the difference of free energy between the amorphous phase and the monoclinic phase might be small. Consequently, defects in the starting material, which alter the free energies of the amorphous phase and the monoclinic phase, may play a key role for the phase transformation of q-GeO 2

Single-Phase PLLs

DEFF Research Database (Denmark)

Golestan, Saeed; Guerrero, Josep M.; Quintero, Juan Carlos Vasquez

2017-01-01

Single-phase phase-locked loops (PLLs) are popular for the synchronization and control of single-phase gridconnected converters. They are also widely used for monitoring and diagnostic purposes in the power and energy areas. In recent years, a large number of single-phase PLLs with different stru......-PLLs). The members of each category are then described and their pros and cons are discussed. This work provides a deep insight into characteristics of different single-phase PLLs and, therefore, can be considered as a reference for researchers and engineers....

Hexagonal close packed to face centered cubic polymorphic transformation in nanocrystalline titanium-zirconium system by mechanical alloying

International Nuclear Information System (INIS)

Bera, S.; Manna, I.

2006-01-01

The present study reports a reversible hexagonal close packed (hcp) to face centered cubic (fcc) polymorphic phase transformation in four different nanocrystalline titanium-zirconium binary alloys in the course of mechanical alloying in a planetary ball mill. This transformation is monitored at appropriate stages by X-ray diffraction and high-resolution transmission electron microscopy. Lattice parameter of the nanocrystalline fcc phase is a function of the alloy composition. For a given alloy, the lattice parameter and hence volume per atom increase with increase in milling time under comparable conditions. On the other hand, crystallite size, measured from X-ray peak broadening, significantly decreases with the progress of milling. It is suggested that structural instability due to plastic strain, increasing lattice expansion, and negative (from core to boundary) hydrostatic pressure is responsible for this hcp → fcc polymorphic transformation. The said transformation seems reversible as isothermal annealing at 1000 deg. C for 1 h or melting the powder mass leads to partial or complete transformation of the milled product from single phase fcc to hcp

Spectroscopic ellipsometry characterization of amorphous and crystalline TiO{sub 2} thin films grown by atomic layer deposition at different temperatures

Energy Technology Data Exchange (ETDEWEB)

Saha, D., E-mail: babaisps@rrcat.gov.in [Laser Materials Processing Division, Raja Ramanna Centre for Advanced Technology, Indore 452013 (India); Ajimsha, R.S. [Laser Materials Processing Division, Raja Ramanna Centre for Advanced Technology, Indore 452013 (India); Rajiv, K.; Mukherjee, C. [Mechanical and Optical Support Section, Raja Ramanna Centre for Advanced Technology, Indore 452013 (India); Gupta, M. [UGC-DAE Consortium, Indore Centre, Khandwa Road, Indore 452017 (India); Misra, P.; Kukreja, L.M. [Laser Materials Processing Division, Raja Ramanna Centre for Advanced Technology, Indore 452013 (India)

2014-10-01

Highlights: • Refractive index was found to be increased from amorphous to the nanocrystalline films. • Refractive index was found to be inversely proportional with growth per cycle. • Large-grained anatase films showed lower refractive indices than the amorphous films. • Roughness was taken into consideration due to the columnar growths of crystalline films. - Abstract: TiO{sub 2} thin films of widely different structural and morphological characteristics were grown on Si (1 0 0) substrates using Atomic Layer Deposition (ALD) by varying the substrate temperature (T{sub s}) in a wide range (50 °C ≤ T{sub s} ≤ 400 °C). Spectroscopic ellipsometry (SE) measurements were carried out to investigate the effect of growth temperature on the optical properties of the films. Measured SE data were analyzed by considering double layer optical model for the sample together with the single oscillator Tauc-Lorentz dispersion relation. Surface roughness was taken into consideration due to the columnar growths of grains in crystalline films. The refractive index was found to be increased from amorphous (T{sub s} ≤ 150 °C) to the nanocrystalline films (250{sup 0} < T{sub s} ≤ 400 °C). The pronounced surface roughening for the large-grained anatase film obtained at the amorphous to crystalline phase transformation temperature of 200 °C, impeded SE measurement. The dispersions of refractive indices below the interband absorption edge were found to be strongly correlated with the single oscillator Wemple–DiDomenico (WD) model. The increase in dispersion energy parameter in WD model from disordered amorphous to the more ordered nanocrystalline films was found to be associated with the increase in the film density and coordination number.

Nanocrystalline ceramic materials

Science.gov (United States)

Siegel, Richard W.; Nieman, G. William; Weertman, Julia R.

1994-01-01

A method for preparing a treated nanocrystalline metallic material. The method of preparation includes providing a starting nanocrystalline metallic material with a grain size less than about 35 nm, compacting the starting nanocrystalline metallic material in an inert atmosphere and annealing the compacted metallic material at a temperature less than about one-half the melting point of the metallic material.

Aggregation and composition effects on absorption and scattering properties of dye-sensitized anatase TiO{sub 2} particle clusters

Energy Technology Data Exchange (ETDEWEB)

Vargas, William E. [Centro de Investigacion en Ciencia e Ingenieria de Materiales and Escuela de Fisica, Universidad de Costa Rica, 2060 San Jose (Costa Rica)], E-mail: vargasc@cariari.ucr.ac.cr

2008-06-15

A transition matrix approach is used to compute the scattering and absorption cross sections, as well as phase functions, asymmetry factors and forward scattering ratios, of clusters of spherical particles. In order to approach the local structure and composition of the nanosized active layer of photoelectrochemical solar cells, some clusters consist of homogeneous non-absorbing anatase spherical pigments, others have anatase particles coated with a monolayer of absorbing dye molecules, and others can consist of both uncoated and dye-coated anatase particles. Orientation average values of the volumetric scattering and absorption cross sections are computed in terms of the size of the spherical particles in the clusters and their number. The degree of scattering and absorption when considering dye-coated anatase particles in the clusters is characterized. The effect of dependent scattering on the average angular distribution of the scattered radiation is also considered.

HRTEM investigation of phase stability in alumina–zirconia ...

Indian Academy of Sciences (India)

tries, at high temperatures, the small diffusion lengths involved can influence the phase stability. The present work ... a function of nanocrystalline size has been shown by Shukla ... and zirconia on a Si(100) single crystal substrate with differ-.

Effect of Fe2+ and Fe3+ substitution on the crystal structure, optical and magnetic properties of anatase Ti1-δ (δ %Fe2+)O2 nanoparticles

International Nuclear Information System (INIS)

Wisnu Ari Adi; Adel Fisli

2018-01-01

Recently electromagnetic wave absorber materials are becoming a very interesting study to be studied more deeply because it is unique in terms of its interaction with electromagnetic waves itself. The main requirement to be met as an electromagnetic wave absorber material is that the material must have the characteristics of dielectric loss and magnetic loss are high. Anatase TiO 2 is a good dielectric material but these material is diamagnetic. Fe substitution was expected to manipulate the magnetic properties of this material. Modification of anatase TiO 2 was prepared by the precipitation method through the procedure as follows: 25 ml of iron salt solution containing 0.3 M Fe 2+ and 0.3 M Fe 3+ (mol ratio of 2 : 1) respectively mixed into 50 ml of 3 M TiCl 4 . The mixture solution of titanium and iron was added to a 150 ml solution of 2.5 M ammonia with drop wise rate 3 ml/min. After that the precipitate was washed then heated in an oven and calcined at 500 °C for 3 hours. There are two types of samples obtained namely anatase Ti 1-δ (δ %Fe 3+ ) Ti 1-δ (δ %Fe 2+ ) where (δ =0, 0.5, 1, and 5 wt %). Phase identification was measured by X-ray diffraction and crystal structure was analyzed by using the Rietveld method. Refinement result indicates that the sample has tetragonal crystal structure a single phase of anatase TiO 2 . Fe atoms have been successfully substituted into Ti without changing the crystal structure of this material. While based on the results of the analysis of optical and magnetic properties showed that the substitution effect of both Fe 2+ and Fe 3+ has managed to reduce energy of band gap and can transform this magnetic phase of this material from diamagnetic becomes paramagnetic at room temperature. It was concluded that it has successfully carried out material engineering of anatase TiO 2 with a substitution of up to 5 wt % of either Fe 2+ or Fe 3+ into ion Ti 4+ by the precipitation method. (author)

Temperature effects during Ostwald ripening on structural and bandgap properties of TiO{sub 2} nanoparticles prepared by sonochemical synthesis

Energy Technology Data Exchange (ETDEWEB)

Gonzalez-Reyes, L., E-mail: lgr@correo.azc.uam.mx [Instituto de Ciencia y Tecnologia del Distrito Federal, ICyTDF. Republica de Chile 6, Centro 06010, Mexico D.F. (Mexico); Universidad Autonoma Metropolitana-A, Departamento de Ciencias Basicas, Av. Sn. Pablo No. 180, Mexico 02200 D.F. (Mexico); Hernandez-Perez, I., E-mail: ihp@correo.azc.uam.mx [Universidad Autonoma Metropolitana-A, Departamento de Ciencias Basicas, Av. Sn. Pablo No. 180, Mexico 02200 D.F. (Mexico); Diaz-Barriga Arceo, L.; Dorantes-Rosales, H.; Arce-Estrada, E. [Instituto Politecnico Nacional, Departamento de Ingenieria Metalurgica y Materiales, ESIQIE-UPALM, Mexico 07738 D.F. (Mexico); Suarez-Parra, R. [Centro de Investigacion en Energia, Universidad Nacional Autonoma de Mexico. Priv. Xochicalco s/n, Col. Centro, Temixco, Morelos 62580 (Mexico); Cruz-Rivera, J.J. [Instituto de Metalurgia-Facultad de Ingenieria, UASLP, San Luis Potosi (Mexico)

2010-11-15

Anatase TiO{sub 2} nanocrystalline (6 nm) with BET specific surface area of 300 m{sup 2}/g and direct bandgap of 3.31 eV were prepared sonochemically and then it was subjected to thermal treatment from 400 to 900 deg. C for 2 h, in order to produce variable anatase-rutile ratio. Three stages were considered in the samples thermally treated: (i) anatase grains coarsening as a result of heat treatment temperature increasing the structural homogeneity and crystallinity and both phenomena produce a reduction in the specific surface area, (ii) coexistence of two phases (anatase and rutile) separated by a transition region, called an interface, and (iii) process where the rutile grains evolve into a new equilibrium shape without the presence of anatase phase, minimizing the total surface and the grain boundary energies, by mass transport diffusion. In this last stage the rutile phase has the sole function of growth and densification. The structure evolution, morphology and microstructure characteristics were obtained by X-ray diffraction (XRD) and transmission electron microscopy (TEM). All the stages of phase transformation are subject to thermal effects that stem from the redistribution of energy in the system. The UV-vis absorption spectra show that direct and indirect transitions can take place in the same sample simultaneously. This is attributed to the combined effect of samples with variable anatase-rutile ratio and particle size effect.

Excess electrons in reduced rutile and anatase TiO2

Science.gov (United States)

Yin, Wen-Jin; Wen, Bo; Zhou, Chuanyao; Selloni, Annabella; Liu, Li-Min

2018-05-01

As a prototypical photocatalyst, TiO2 is a material of scientific and technological interest. In photocatalysis and other applications, TiO2 is often reduced, behaving as an n-type semiconductor with unique physico-chemical properties. In this review, we summarize recent advances in the understanding of the fundamental properties and applications of excess electrons in reduced, undoped TiO2. We discuss the characteristics of excess electrons in the bulk and at the surface of rutile and anatase TiO2 focusing on their localization, spatial distribution, energy levels, and dynamical properties. We examine specific features of the electronic states for photoexcited TiO2, for intrinsic oxygen vacancy and Ti interstitial defects, and for surface hydroxyls. We discuss similarities and differences in the behaviors of excess electrons in the rutile and anatase phases. Finally, we consider the effect of excess electrons on the reactivity, focusing on the interaction between excess electrons and adsorbates.

Synthesis, characterization and photoluminescence properties of Dy{sup 3+}-doped nano-crystalline SnO{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Pillai, Sreejarani K.; Sikhwivhilu, Lucky M. [National Centre for Nano-Structured Materials, CSIR, PO Box 395, Pretoria 0001 (South Africa); Hillie, Thembela K., E-mail: thillie@csir.co.za [National Centre for Nano-Structured Materials, CSIR, PO Box 395, Pretoria 0001 (South Africa); Physics Department, University of the Free State, P.O. Box 339, Bloemfontein 9300 (South Africa)

2010-04-15

Nano-crystalline of tin oxide doped with varying wt% of Dy{sup 3+} was prepared using chemical co-precipitation method and characterised by various advanced techniques such as BET-surface area, Fourier transform infrared spectroscopy, X-ray diffraction, Raman spectroscopy and photoluminescence measurements. Analytical results demonstrated that the nanocrystalline tin oxide is in tetragonal crystalline phase and doping with Dy{sup 3+} could inhibit the phase transformation, increases surface area and decreases the crystallite size. The experimental result on photoluminescence characteristics originating from Dy{sup 3+}-doping in nanocrystalline SnO{sub 2} reveals the dependence of the luminescent intensity on dopant concentration.

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.

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

(0 0 1) Facet-exposed anatase-phase TiO{sub 2} nanotube hybrid reduced graphene oxide composite: Synthesis, characterization and application in photocatalytic degradation

Energy Technology Data Exchange (ETDEWEB)

Zhou, Xun [School of Chemical Engineering of Hefei University of Technology, Hefei 230009 (China); Shi, Tiejun, E-mail: stjhfut@163.com [School of Chemical Engineering of Hefei University of Technology, Hefei 230009 (China); Wu, Jing [School of Chemical Engineering of Hefei University of Technology, Hefei 230009 (China); Zhou, Haiou [School of Chemical Engineering of Hefei University of Technology, Hefei 230009 (China); School of Materials and Chemical Engineering of Anhui University of Architecture, Hefei 230901 (China)

2013-12-15

Reduced graphene oxide (RGO) and TiO{sub 2} nanotube (TNT) with (0 0 1) facet-exposed anatase phase are covalently bonded together to synthesize TNT hybrid RGO (RGO-TNT) through consecutive process such as hydrothermal reaction, HCl washing, lyophilization and heat treatment with graphene oxide (GO), TiO{sub 2} powder and high concentration NaOH solution as the starting materials. The TNT with the diameter between 10 and 20 nm characterized by high resolution transmission electron microscopy (HRTEM) is in anatase phase proven by X-ray diffraction (XRD) and HRTEM. Additionally, the more active (0 0 1) facet is exposed identified by HRTEM. More significantly, TNT is bridged to RGO by C-Ti bond by the measurement of X-ray photoelectron spectroscopy (XPS). The photoluminescence (PL) spectra has testified that RGO in RGO-TNT can transfer and accept photoelectrons from TNT. The photocatalytic activity of RGO-TNT for degrading methylene blue (MB) is enhanced by contrast with pure TNT, and changeable by adjusting the mass ratios of GO to TiO{sub 2} powder. Simultaneously, lyophilization is benefit for maintaining the high active surface area of RGO-TNT, which is deeply in relationship with a higher photocatalytic activity. After four running cycles of photocatalytic degradation, RGO-TNT has shown a high stability and perfect reproducibility.

Interface effects on effective elastic moduli of nanocrystalline materials

International Nuclear Information System (INIS)

Wang Gangfeng; Feng Xiqiao; Yu Shouwen; Nan Cewen

2003-01-01

Interfaces often play a significant role in many physical properties and phenomena of nanocrystalline materials (NcMs). In the present paper, the interface effects on the effective elastic property of NcMs are investigated. First, an atomic potential method is suggested for estimating the effective elastic modulus of an interface phase. Then, the Mori-Tanaka effective field method is employed to determine the overall effective elastic moduli of a nanocrystalline material, which is regarded as a binary composite consisting of a crystal or inclusion phase with regular lattice connected by an amorphous-like interface or matrix phase. Finally, the stiffening effects of strain gradients are examined on the effective elastic property by using the strain gradient theory to analyze a representative unit cell. Our analysis shows two physical mechanisms of interfaces that influence the effective stiffness and other mechanical properties of materials. One is the softening effect due to the distorted atomic structures and the increased atomic spacings in interface regions, and another is the baffling effect due to the existence of boundary layers between the interface phase and the crystalline phase

Antimicrobial activity of TiO{sub 2}:Ag nanocrystalline heterostructures: Experimental and theoretical insights

Energy Technology Data Exchange (ETDEWEB)

André, Rafaela S. [UFSCar – Universidade Federal de São Carlos, Department of Chemistry, 13565-905 São Carlos, SP (Brazil); Zamperini, Camila A. [UNESP – Universidade Estadual Paulista, Instituto de Química, 14801-907 Araraquara, SP (Brazil); Mima, Ewerton G. [UNESP – Universidade Estadual Paulista, Escola de Odontologia de Araraquara, Departamento de Materias Odontológicos e Próteses Dentárias, 14801-903 Araraquara, SP (Brazil); Longo, Valéria M., E-mail: valeria.longo@liec.ufscar.br [USP – Universidade de São Paulo, Instituto de Física de São Carlos, 13560-970 São Carlos, SP (Brazil); Albuquerque, Anderson R. [UNESP – Universidade Estadual Paulista, Grupo de Modelagem e Simulação Molecular, P.O. Box 477, CEP 17033-360 Bauru, SP (Brazil); Instituto Federal de Educação, Ciência e Tecnologia do Sertão Pernambucano, IFSetão-PE, 56400-000 Floresta, PE (Brazil); Sambrano, Júlio R. [UNESP – Universidade Estadual Paulista, Grupo de Modelagem e Simulação Molecular, P.O. Box 477, CEP 17033-360 Bauru, SP (Brazil); and others

2015-09-28

Highlights: • Greener hydrothermal process to obtain nanocrystalline TiO{sub 2} anatase with Ag nanoparticles. • Antifungal effect against planktonic cells of C. albicans and Staphylococcus aureus. • DFT calculations of anatase TiO{sub 2} and metallic Ag. • Mechanism for the formation of reactive species at surface. - Abstract: We report the synthesis and characterization of silver-decorated titanium dioxide (TiO{sub 2}:Ag) nanoparticles, as well as a discussion of their antimicrobial activity. This material was synthesized by microwave-assisted hydrothermal treatment and characterized by complementary techniques. The minimum inhibitory concentration and minimum bactericidal/fungicidal concentration of TiO{sub 2}:Ag nanoparticles against planktonic and biofilm-forming strains of methicillin-resistant Staphylococcus aureus, Candida species (spp.) and the total biofilm mass were determined. The basis of the biological activity of TiO{sub 2}:Ag was investigated by electronic analysis of the material using theoretical quantum chemical calculations. In the proposed mechanism of action, the impregnated semiconductor donates electrons to the forbidden band gaps in the metal, generating point defects, with partially located electrons and holes at the surface, initiating a radical process involving the solvent and biological target. Our results suggest that this TiO{sub 2}:Ag nanomaterial has potential for use in the development of new therapeutic agents.

Constitutive modeling of strain rate effects in nanocrystalline and ultrafine grained polycrystals

KAUST Repository

Gurses, Ercan

2011-05-01

We present a variational two-phase constitutive model capable of capturing the enhanced rate sensitivity in nanocrystalline (nc) and ultrafine-grained (ufg) fcc metals. The nc/ufg-material consists of a grain interior phase and a grain boundary affected zone (GBAZ). The behavior of the GBAZ is described by a rate-dependent isotropic porous plasticity model, whereas a rate-independent crystal-plasticity model which accounts for the transition from partial dislocation to full dislocation mediated plasticity is employed for the grain interior. The scale bridging from a single grain to a polycrystal is done by a Taylor-type homogenization. It is shown that the enhanced rate sensitivity caused by the grain size refinement is successfully captured by the proposed model. © 2011 Elsevier Ltd. All rights reserved.

Constitutive modeling of strain rate effects in nanocrystalline and ultrafine grained polycrystals

KAUST Repository

Gurses, Ercan; El Sayed, Tamer S.

2011-01-01

We present a variational two-phase constitutive model capable of capturing the enhanced rate sensitivity in nanocrystalline (nc) and ultrafine-grained (ufg) fcc metals. The nc/ufg-material consists of a grain interior phase and a grain boundary affected zone (GBAZ). The behavior of the GBAZ is described by a rate-dependent isotropic porous plasticity model, whereas a rate-independent crystal-plasticity model which accounts for the transition from partial dislocation to full dislocation mediated plasticity is employed for the grain interior. The scale bridging from a single grain to a polycrystal is done by a Taylor-type homogenization. It is shown that the enhanced rate sensitivity caused by the grain size refinement is successfully captured by the proposed model. © 2011 Elsevier Ltd. All rights reserved.

Influence of grain boundaries on elasticity and thermal conductivity of nanocrystalline diamond films

International Nuclear Information System (INIS)

Mohr, Markus; Daccache, Layal; Horvat, Sebastian; Brühne, Kai; Jacob, Timo; Fecht, Hans-Jörg

2017-01-01

Diamond combines several outstanding material properties such as the highest thermal conductivity and highest elastic moduli of all materials. This makes diamond an interesting candidate for a multitude of applications. Nonetheless, nanocrystalline diamond films, layers and coatings, usually show properties different to those of single crystalline diamond. This is usually attributed to the larger volume fraction of the grain boundaries with atomic structure different from the single crystal. In this work we measured Young's modulus and thermal conductivity of nanocrystalline diamond films with average grain sizes ranging from 6 to 15 nm. The measured thermal conductivities are modeled considering the thermal boundary conductance between grains as well as a grain size effect on the phonon mean free path. We make a comparison between elastic modulus and thermal boundary conductance of the grain boundaries G_k for different nanocrystalline diamond films. We conclude that the grain boundaries thermal boundary conductance G_k is a measure of the cohesive energy of the grain boundaries and therefore also of the elastic modulus of the nanocrystalline diamond films.

Gas-phase Crystallization of Titanium Dioxide Nanoparticles

International Nuclear Information System (INIS)

Ahonen, P.P.; Moisala, A.; Tapper, U.; Brown, D.P.; Jokiniemi, J.K.; Kauppinen, E.I.

2002-01-01

We have investigated the development of crystal morphology and phase in ultrafine titanium dioxide particles. The particles were produced by a droplet-to-particle method starting from propanolic titanium tetraisopropoxide solution, and calcined in a vertical aerosol reactor in air. Mobility size classified 40-nm diameter particles were conveyed to the aerosol reactor to investigate particle size changes at 20-1200 deg. C with 5-1-s residence time. In addition, polydisperse particles were used to study morphology and phase formation by electron microscopy. According to differential mobility analysis, the particle diameter was reduced to 21-23-nm at 600 deg. C and above. Precursor decomposition occurred between 20 deg. C and 500 deg. C. The increased mobility particle size at 700 deg. C and above was observed to coincide with irregular particles at 700 deg. C and 800 deg. C and faceted particles between 900 deg. C and 1200 deg. C, according to transmission electron microscopy. The faceted anatase particles were observed to approach a minimized surface energy by forming {101} and {001} crystallographic surfaces. Anatase phase was observed at 500-1200 deg. C and above 600 deg. C the particles were single crystals. Indications of minor rutile formation were observed at 1200 deg. C. The relatively stable anatase phase vs. temperature is attributed to the defect free structure of the observed particles and a lack of crystal-crystal attachment points

Microstructure characterization and cation distribution of nanocrystalline cobalt ferrite

Energy Technology Data Exchange (ETDEWEB)

Abbas, Y.M., E-mail: ymabbas@live.com [Suez Canal University, Faculty of Science, Physics Department, Ismailia (Egypt); Mansour, S.A.; Ibrahim, M.H. [Suez Canal University, Faculty of Science, Physics Department, Ismailia (Egypt); Ali, Shehab E., E-mail: shehab_physics@yahoo.com [Suez Canal University, Faculty of Science, Physics Department, Ismailia (Egypt)

2011-11-15

Nanocrystalline cobalt ferrite has been synthesized using two different methods: ceramic and co-precipitation techniques. The nanocrystalline ferrite phase has been formed after 3 h of sintering at 1000 deg. C. The structural and microstructural evolutions of the nanophase have been studied using X-ray powder diffraction and the Rietveld method. The refinement result showed that the type of the cationic distribution over the tetrahedral and octahedral sites in the nanocrystalline lattice is partially an inverse spinel. The transmission electronic microscope analysis confirmed the X-ray results. The magnetic properties of the samples were characterized using a vibrating sample magnetometer. - Highlights: > The refinement result showed that the cationic distribution over the sites in the lattice is partially an inverse spinel. > The transmission electronic microscope analysis confirmed the X-ray results. > The magnetic properties of the samples were characterized using a vibrating sample magnetometer.

Evidence for phase separation of ethanol-water mixtures at the hydrogen terminated nanocrystalline diamond surface.

Science.gov (United States)

Janssens, Stoffel D; Drijkoningen, Sien; Saitner, Marc; Boyen, Hans-Gerd; Wagner, Patrick; Larsson, Karin; Haenen, Ken

2012-07-28

Interactions between ethanol-water mixtures and a hydrophobic hydrogen terminated nanocrystalline diamond surface, are investigated by sessile drop contact angle measurements. The surface free energy of the hydrophobic surface, obtained with pure liquids, differs strongly from values obtained by ethanol-water mixtures. Here, a model which explains this difference is presented. The model suggests that, due to a higher affinity of ethanol for the hydrophobic surface, when compared to water, a phase separation occurs when a mixture of both liquids is in contact with the H-terminated diamond surface. These results are supported by a computational study giving insight in the affinity and related interaction at the liquid-solid interface.

Photodegradation of phenol by N-Doped TiO{sub 2} anatase/rutile nanorods assembled microsphere under UV and visible light irradiation

Energy Technology Data Exchange (ETDEWEB)

Mohamed, Mohamad Azuwa [Advanced Membrane Technology Research Centre, UniversitiTeknologi Malaysia, 81310 Skudai, Johor Bahru (Malaysia); Faculty of Petroleum and Renewable Energy Engineering, UniversitiTeknologi Malaysia, 81310 Skudai, Johor Bahru (Malaysia); Salleh, W.N.W., E-mail: hayati@petroleum.utm.my [Advanced Membrane Technology Research Centre, UniversitiTeknologi Malaysia, 81310 Skudai, Johor Bahru (Malaysia); Faculty of Petroleum and Renewable Energy Engineering, UniversitiTeknologi Malaysia, 81310 Skudai, Johor Bahru (Malaysia); Jaafar, Juhana; Ismail, A.F.; Nor, Nor Azureen Mohamad [Advanced Membrane Technology Research Centre, UniversitiTeknologi Malaysia, 81310 Skudai, Johor Bahru (Malaysia); Faculty of Petroleum and Renewable Energy Engineering, UniversitiTeknologi Malaysia, 81310 Skudai, Johor Bahru (Malaysia)

2015-07-15

N-doped TiO{sub 2} anatase/rutile nanorods assembled microspheres were successfully synthesized via a simple and direct sol–gel method containing titanium-n-butoxide Ti(OBu){sub 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{sub 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{sub 2} lattice since visible absorption capability was observed at 400–600 nm. XPS study indicated the incorporation of nitrogen as dopant in TiO{sub 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{sub 2} nanorods. The photocatalytic activity of the prepared mixed phase of anatase/rutile TiO{sub 2} nanoparticles was measured by photodegradation phenol in an aqueous solution under UV and visible irradiations. N-doped TiO{sub 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{sub 2} Anatase/Rutile Nanorods via simple preparation method. • Direct incorporation of HNO{sub 3} as the nitrogen dopant source. • The photocatalytic properties were studied upon UV and visible light irradiation. �

Nanocrystalline solids

International Nuclear Information System (INIS)

Gleiter, H.

1991-01-01

Nanocrystalline solids are polycrystals, the crystal size of which is a few (typically 1 to 10) nanometres so that 50% or more of the solid consists of incoherent interfaces between crystals of different orientations. Solids consisting primarily of internal interfaces represent a separate class of atomic structures because the atomic arrangement formed in the core of an interface is known to be an arrangement of minimum energy in the potential field of the two adjacent crystal lattices with different crystallographic orientations on either side of the boundary core. These boundary conditions result in atomic structures in the interfacial cores which cannot be formed elsewhere (e.g. in glasses or perfect crystals). Nanocrystalline solids are of interest for the following four reasons: (1) Nanocrystalline solids exhibit an atomic structure which differs from that of the two known solid states: the crystalline (with long-range order) and the glassy (with short-range order). (2) The properties of nanocrystalline solids differ (in some cases by several orders of magnitude) from those of glasses and/or crystals with the same chemical composition, which suggests that they may be utilized technologically in the future. (3) Nanocrystalline solids seem to permit the alloying of conventionally immiscible components. (4) If small (1 to 10 nm diameter) solid droplets with a glassy structure are consolidated (instead of small crystals), a new type of glass, called nanoglass, is obtained. Such glasses seem to differ structurally from conventional glasses. (orig.)

Mechanically alloyed PrFeB nanocrystalline magnets

International Nuclear Information System (INIS)

Kaszuwara, W.; Leonowicz, M.

1998-01-01

Mechanically alloyed PrFeB nanocrystalline magnets were prepared by extensive ball milling of Pr, Fe and Fe 80 B 20 powders, followed by diffusion annealing. After milling, the material consisted of nanocrystalline α-Fe crystallites embedded in amorphous Pr-rich matrix. Thermomagnetic and calorimetric investigations of the transformations which occurred during annealing showed that the amorphous phase crystallised at 240 C, leading to the formation of crystalline Pr having lattice constants 10% greater than those shown in the ASTM data. This fact indicated that mechanical alloying and low temperature annealing led to the formation of a solid solution of either Fe or B in Pr, which does not exist in the equilibrium state. The Pr 2 Fe 14 B phase was subsequently formed within a temperature range of 420-620 C. The magnetic properties of magnets depend on the phase structure and grain size. Milling time appears to be a decisive processing parameter for the tailoring of the magnetic properties. Depending on the phase structure, the coercivities varied from 100 to 1200 kA/m and, respectively, the remanences from 0.98 T to 0.6 T. The highest maximum energy product was 80 kJ/m 3 . (orig.)

Searching for new TiO2 crystal phases with better photoactivity

International Nuclear Information System (INIS)

Shang, Cheng; Zhao, Wei-Na; Liu, Zhi-Pan

2015-01-01

Using the recently developed stochastic surface walking global optimization method, this work explores the potential energy surface of TiO 2 crystals aiming to search for likely phases with higher photocatalytic activity. Five new phases of TiO 2 are identified and the lowest energy phase transition pathways connecting to the most abundant phases (rutile and anatase) are determined. Theory shows that a high-pressure phase, α-PbO 2 -like form (TiO 2 II) acts as the key intermediate in between rutile and anatase. The phase transition of anatase to rutile belongs to the diffusionless Martensitic phase transition, occurring through a set of habit planes, rutile(101)//TiO 2 II(001), and TiO 2 II(100)//anatase(112). With regard to the photocatalytic activity, three pure phases (#110, pyrite and fluorite) are found to possess the band gap narrower than rutile, but they are unstable at the low-pressure condition. Instead, a mixed anatase-TiO 2 II phase is found to have good stability and narrower band gap than both parent phases. Because of the phase separation, the mixed phase is also expected to improve the photocatalytic performance by reducing the probability of the electron-hole pair recombination. (paper)

Microstructure characterization and cation distribution of nanocrystalline cobalt ferrite

International Nuclear Information System (INIS)

Abbas, Y.M.; Mansour, S.A.; Ibrahim, M.H.; Ali, Shehab E.

2011-01-01

Nanocrystalline cobalt ferrite has been synthesized using two different methods: ceramic and co-precipitation techniques. The nanocrystalline ferrite phase has been formed after 3 h of sintering at 1000 deg. C. The structural and microstructural evolutions of the nanophase have been studied using X-ray powder diffraction and the Rietveld method. The refinement result showed that the type of the cationic distribution over the tetrahedral and octahedral sites in the nanocrystalline lattice is partially an inverse spinel. The transmission electronic microscope analysis confirmed the X-ray results. The magnetic properties of the samples were characterized using a vibrating sample magnetometer. - Highlights: → The refinement result showed that the cationic distribution over the sites in the lattice is partially an inverse spinel. → The transmission electronic microscope analysis confirmed the X-ray results. → The magnetic properties of the samples were characterized using a vibrating sample magnetometer.

Nanocrystalline (U0.5Ce0.5)O2±x solid solutions through citrate gel-combustion

Science.gov (United States)

Maji, D.; Ananthasivan, K.; Venkata Krishnan, R.; Balakrishnan, S.; Amirthapandian, S.; Joseph, Kitheri; Dasgupta, Arup

2018-04-01

Nanocrystalline powders of (U0.5Ce0.5)O2±x solid solutions were synthesized in bulk (100-200 g) through the citrate gel combustion. The fuel (citric acid) to oxidant (nitrate) mole ratio (R) was varied from 0.1 to 1.0. Two independent lots of the products obtained through the gel-combustion were calcined at 973 K in air and in a mixture of argon containing 8% H2 respectively. All these powders were characterized for their bulk density, X-ray crystallite size, specific surface area, size distribution of the particles, porosity as well as residual carbon. The morphology and microstructures of these powders were studied by using scanning electron microscopy (SEM) and transmission electron microscopy (TEM) respectively. Nanocrystalline single phase fluorite solid solutions having a typical crystallite size of about (7-15 nm) were obtained. These powders were highly porous comprising cuboidal flaky agglomerates. The combustion mixture with an 'R' value of 0.25 was found to undergo volume combustion and was found to yield a product that was distinctly different. The systematic investigation on synthesis and characterization of nanocrystalline UCeO2 is reported for the first time.

Photocatalysis in the visible range of sub-stoichiometric anatase films prepared by MOCVD

Energy Technology Data Exchange (ETDEWEB)

Justicia, I. [ICMAB/CSIC, Campus UAB, 08193 Bellaterra (Spain); Garcia, G. [ICMAB/CSIC, Campus UAB, 08193 Bellaterra (Spain)]. E-mail: gemma@icmab.es; Battiston, G.A. [ICIS/CNR, Corso Stati Uniti 4, 35127 Padova (Italy); Gerbasi, R. [ICIS/CNR, Corso Stati Uniti 4, 35127 Padova (Italy); Ager, F. [CNA/CSIC Parque Tecnologico Cartuja 93, Avda Thomas A, Edison, 41092 Sevilla (Spain); Guerra, M. [IIQAB/CSIC Jordi Girona, 18 08034 Barcelona (Spain); Caixach, J. [IIQAB/CSIC Jordi Girona, 18 08034 Barcelona (Spain); Pardo, J.A. [ICMAB/CSIC, Campus UAB, 08193 Bellaterra (Spain); Rivera, J. [IIQAB/CSIC Jordi Girona, 18 08034 Barcelona (Spain); Figueras, A. [ICMAB/CSIC, Campus UAB, 08193 Bellaterra (Spain); Instituto de Fisica, UNAM, Campus UNAM Juriquilla, 76230 Queretaro (Mexico)

2005-08-25

Anatase phase of titanium oxide is the most promising photocatalyst material for organic pollutant degradation. However, due to its large band gap energy (3.2 eV) it is not viable to use sunlight as an energy source for the photocatalysis activation, and so, ultraviolet (UV) radiation below the wavelength of 380 nm is required. This paper focuses on the experimental demonstration of the reduction of this large band gap energy by inducing defects in the anatase structure under the form of oxygen sub-stoichiometry. TiO{sub 2} thin films were prepared in a metal organic chemical vapour deposition (MOCVD) reactor. The samples stoichiometry was measured by the Rutherford backscattering spectrometry (RBS) technique. Optical characterisation was also performed and the photodegradation activity in the visible range was tested using nonylphenol, which is one of the most harmful pollutants present in waste waters.

Mesoporous anatase TiO_2 microspheres with interconnected nanoparticles delivering enhanced dye-loading and charge transport for efficient dye-sensitized solar cells

International Nuclear Information System (INIS)

Chu, Liang; Qin, Zhengfei; Zhang, Qiaoxia; Chen, Wei; Yang, Jian; Yang, Jianping; Li, Xing’ao

2016-01-01

Graphical abstract: The photoelectrodes of DSSCs consisted of mesoporous anatase TiO_2 microspheres with interconnected nanoparticles. The interconnected nanoparticles enhance dye-loading capacity and charge transport. - Highlights: • The mesoporous anatase TiO_2 microspheres were synthesized by a template-free, one-step fast solvothermal process. • The mesoporous anatase TiO_2 microspheres with interconnected nanoparticles have the advantages of large surface area and connected-structure for electron transfer. • The mesoporous anatase TiO_2 microspheres were further utilized as efficient photoelectrodes for dye-sensitized solar cells. - Abstract: Mesoporous anatase TiO_2 microspheres with interconnected nanostructures meet both large surface area and connected-structure for electron transfer as ideal nano/micromaterials for application in solar cells, energy storage, catalysis, water splitting and gas sensing. In this work, mesoporous anatase TiO_2 microspheres consisting of interconnected nanoparticles were synthesized by template-free, one-step fast solvothermal process, where urea was used as capping agent to control phase and promote oriented growth. The morphology was assembled by nucleation-growth-assembly-mechanism. The mesoporous anatase TiO_2 microspheres with interconnected nanoparticles were further utilized as efficient photoelectrodes of dye-sensitized solar cells (DSSCs), which were beneficial to capacity of dye loading and charge transfer. The power conversion efficiency (PCE) based on the optimized thickness of TiO_2 photoelectrodes was up to 7.13% under standard AM 1.5 G illumination (100 mW/cm"2).

Investigation into Photoconductivity in Single CNF/TiO2-Dye Core–Shell Nanowire Devices

Directory of Open Access Journals (Sweden)

Rochford Caitlin

2010-01-01

Full Text Available Abstract A vertically aligned carbon nanofiber array coated with anatase TiO2 (CNF/TiO2 is an attractive possible replacement for the sintered TiO2 nanoparticle network in the original dye-sensitized solar cell (DSSC design due to the potential for improved charge transport and reduced charge recombination. Although the reported efficiency of 1.1% in these modified DSSC’s is encouraging, the limiting factors must be identified before a higher efficiency can be obtained. This work employs a single nanowire approach to investigate the charge transport in individual CNF/TiO2 core–shell nanowires with adsorbed N719 dye molecules in dark and under illumination. The results shed light on the role of charge traps and dye adsorption on the (photo conductivity of nanocrystalline TiO2 CNF’s as related to dye-sensitized solar cell performance.

Investigation of nanocrystalline Gd films loaded with hydrogen

KAUST Repository

Hruška, Petr; Čí žek, Jakub; Dobroň, Patrik; Anwand, Wolfgang; Mü cklich, Arndt; Gemma, Ryota; Wagner, Stefan; Uchida, Helmut; Pundt, Astrid

2015-01-01

The present work reports on microstructure studies of hydrogen-loaded nanocrystalline Gd films prepared by cold cathode beam sputtering on sapphire (112¯0) substrates. The Gd films were electrochemically step-by-step charged with hydrogen and the structural development with increasing concentration of absorbed hydrogen was studied by transmission electron microscopy and in-situ   X-ray diffraction using synchrotron radiation. The relaxation of hydrogen-induced stresses was examined by acoustic emission measurements. In the low concentration range absorbed hydrogen occupies preferentially vacancy-like defects at GBs typical for nanocrystalline films. With increasing hydrogen concentration hydrogen starts to occupy interstitial sites. At the solid solution limit the grains gradually transform into the ββ-phase (GdH2). Finally at high hydrogen concentrations xH>2.0xH>2.0 H/Gd, the film structure becomes almost completely amorphous. Contrary to bulk Gd specimens, the formation of the γγ-phase (GdH3) was not observed in this work.

Thermal conductivity at the amorphous-nanocrystalline phase transition in beech wood biocarbon

Science.gov (United States)

Parfen'eva, L. S.; Orlova, T. S.; Smirnov, B. I.; Smirnov, I. A.; Misiorek, H.; Jezowski, A.; Ramirez-Rico, J.

2014-05-01

High-porosity samples of beech wood biocarbon (BE-C) were prepared by pyrolysis at carbonization temperatures T carb = 650, 1300, and 1600°C, and their resistivity ρ and thermal conductivity κ were studied in the 5-300 and 80-300 K temperature intervals. The experimental results obtained were evaluated by invoking X-ray diffraction data and information on the temperature dependences ρ( T) and κ( T) for BE-C samples prepared at T carb = 800, 1000, and 2400°C, which were collected by the authors earlier. An analysis of the κ( T carb) behavior led to the conclusion that the samples under study undergo an amorphous-nanocrystalline phase transition in the interval 800°C < T carb < 1000°C. Evaluation of the electronic component of the thermal conductivity revealed that the Lorentz number of the sample prepared at T carb = 2400°C exceeds by far the classical Sommerfeld value, which is characteristic of metals and highly degenerate semiconductors.

One unit-cell seed layer induced epitaxial growth of heavily nitrogen doped anatase TiO{sub 2} films

Energy Technology Data Exchange (ETDEWEB)

Chen, T L; Hirose, Y; Hitosugi, T; Hasegawa, T [Kanagawa Academy of Science and Technology (KAST), Kawasaki 213-0012 (Japan)], E-mail: chen@ksp.or.jp

2008-03-21

We present a novel way to obtain heavily nitrogen doped anatase TiO{sub 2} films by using a solid-state nitrogen source. Epitaxial growth of the films was realized by introducing one unit-cell seed layer, which was indicated by reflection high-energy electron diffraction as intensity oscillation. Results of x-ray diffraction and x-ray photoelectron spectroscopy confirmed that the films were in the anatase phase heavily doped with nitrogen of {approx}15 at%. The films obtained exhibited considerable narrowing of the optical bandgap, resulting in an enhancement of absorption in the visible-light region. (fast track communication)

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

Science.gov (United States)

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

2013-09-01

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

Mechanism of γ-irradiation induced phase transformations in nanocrystalline Mn{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} ceramics

Energy Technology Data Exchange (ETDEWEB)

Jagadeesha Angadi, V. [Department of Physics, Bangalore University, Bangalore, Karnataka 560056 (India); Anupama, A.V.; Choudhary, Harish K.; Kumar, R. [Materials Research Centre, Indian Institute of Science, Bangalore, 560012 (India); Somashekarappa, H.M. [Center for Application of Radioisotopes and Radiation Technology, Mangalore University, Mangalore 574199 (India); Mallappa, M. [Department of Chemistry, Government Science College, Bangalore 560001 (India); Rudraswamy, B. [Department of Physics, Bangalore University, Bangalore, Karnataka 560056 (India); Sahoo, B., E-mail: bsahoo@mrc.iisc.ernet.in [Materials Research Centre, Indian Institute of Science, Bangalore, 560012 (India)

2017-02-15

The structural, infrared absorption and magnetic property transformations in nanocrystalline Mn{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} samples irradiated with different doses (0, 15, 25 and 50 kGy) of γ-irradiation were investigated in this work and a mechanism of phase transformation/decomposition is provided based on the metastable nature of the Mn-atoms in the spinel lattice. The nano-powder sample was prepared by solution combustion route and the pellets of the sample were exposed to γ-radiation. Up to a dose of 25 kGy of γ-radiation, the sample retained the single phase cubic spinel (Fd-3m) structure, but the disorder in the sample increased. On irradiating the sample with 50 kGy γ-radiation, the spinel phase decomposed into new stable phases such as α-Fe{sub 2}O{sub 3} and ZnFe{sub 2}O{sub 4} phases along with amorphous MnO phase, leading to a change in the surface morphology of the sample. Along with the structural transformations the magnetic properties deteriorated due to breakage of the ferrimagnetic order with higher doses of γ-irradiation. Our results are important for the understanding of the stability, durability and performance of the Mn-Zn ferrite based devices used in space applications. - Graphical abstract: The nanocrystalline Mn{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} ceramic sample transforms to crystalline α-Fe{sub 2}O{sub 3} and ZnFe{sub 2}O{sub 4} phases (and amorphous MnO phase) at a γ-irradiation dose of 50 kGy, as MnO goes out of the spinel lattice. The high energy γ-irradiation causes structural damage to the nanomaterials leading to change in morphology of the sample as seen in the SEM images. - Highlights: • Mn atoms are more unstable in the Mn-Zn ferrite spinel lattice than Zn-atoms. • Displacement of Mn atoms by γ-radiation from the lattice renders phase transformation. • In Mn{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4}, Mn-ferrite cell transforms to crystalline α-Fe{sub 2}O{sub 3} and amorphous MnO. • The stable ZnFe{sub 2}O

Shock-induced microstructural response of mono- and nanocrystalline SiC ceramics

Science.gov (United States)

Branicio, Paulo S.; Zhang, Jingyun; Rino, José P.; Nakano, Aiichiro; Kalia, Rajiv K.; Vashishta, Priya

2018-04-01

The dynamic behavior of mono- and nanocrystalline SiC ceramics under plane shock loading is revealed using molecular-dynamics simulations. The generation of shock-induced elastic compression, plastic deformation, and structural phase transformation is characterized at different crystallographic directions as well as on a 5-nm grain size nanostructure at 10 K and 300 K. Shock profiles are calculated in a wide range of particle velocities 0.1-6.0 km/s. The predicted Hugoniot agree well with experimental data. Results indicate the generation of elastic waves for particle velocities below 0.8-1.9 km/s, depending on the crystallographic direction. In the intermediate range of particle velocities between 2 and 5 km/s, the shock wave splits into an elastic precursor and a zinc blende-to-rock salt structural transformation wave, which is triggered by shock pressure over the ˜90 GPa threshold value. A plastic wave, with a strong deformation twinning component, is generated ahead of the transformation wave for shocks in the velocity range between 1.5 and 3 km/s. For particle velocities greater than 5-6 km/s, a single overdriven transformation wave is generated. Surprisingly, shocks on the nanocrystalline sample reveal the absence of wave splitting, and elastic, plastic, and transformation wave components are seamlessly connected as the shock strength is continuously increased. The calculated strengths 15.2, 31.4, and 30.9 GPa for ⟨001⟩, ⟨111⟩, and ⟨110⟩ directions and 12.3 GPa for the nanocrystalline sample at the Hugoniot elastic limit are in excellent agreement with experimental data.

Morphology control of anatase TiO2 for well-defined surface chemistry

KAUST Repository

Jeantelot, Gabriel; Ould-Chikh, Samy; Sofack-Kreutzer, Julien; Abou-Hamad, Edy; Anjum, Dalaver H.; Lopatin, Sergei; Harb, Moussab; Cavallo, Luigi; Basset, Jean-Marie

2018-01-01

A specific allotrope of titanium dioxide (anatase) was synthesized both with a standard thermodynamic morphology ({101}-anatase) and with a highly anisotropic morphology ({001}-anatase) dominated by the {001} facet (81%). The surface chemistry of both samples after dehydroxylation was studied by 1H NMR and FT-IR. The influence of surface fluorides on the surface chemistry was also studied by 1H NMR, FT-IR and DFT. Full attribution of the IR spectra of anatase with dominant {001} facets could be provided based on experimental data and further confirmed by DFT. Our results showed that chemisorbed H2O molecules are still present on anatase after dehydroxylation at 350 °C, and that the type of surface hydroxyls present on the {001} facet is dependent on the presence of fluorides. They also provided general insight into the nature of the surface species on both fluorinated and fluorine-free anatase. The use of vanadium oxychloride (VOCl3) allowed the determination of the accessibility of the various OH groups spectroscopically observed.

Morphology control of anatase TiO2 for well-defined surface chemistry

KAUST Repository

Jeantelot, Gabriel

2018-05-16

A specific allotrope of titanium dioxide (anatase) was synthesized both with a standard thermodynamic morphology ({101}-anatase) and with a highly anisotropic morphology ({001}-anatase) dominated by the {001} facet (81%). The surface chemistry of both samples after dehydroxylation was studied by 1H NMR and FT-IR. The influence of surface fluorides on the surface chemistry was also studied by 1H NMR, FT-IR and DFT. Full attribution of the IR spectra of anatase with dominant {001} facets could be provided based on experimental data and further confirmed by DFT. Our results showed that chemisorbed H2O molecules are still present on anatase after dehydroxylation at 350 °C, and that the type of surface hydroxyls present on the {001} facet is dependent on the presence of fluorides. They also provided general insight into the nature of the surface species on both fluorinated and fluorine-free anatase. The use of vanadium oxychloride (VOCl3) allowed the determination of the accessibility of the various OH groups spectroscopically observed.

Study of paramagnetic defect centers in as-grown and annealed TiO2 anatase and rutile nanoparticles by a variable-temperature X-band and high-frequency (236 GHz) EPR.

Science.gov (United States)

Misra, S K; Andronenko, S I; Tipikin, D; Freed, J H; Somani, V; Prakash, Om

2016-03-01

Detailed EPR investigations on as-grown and annealed TiO 2 nanoparticles in the anatase and rutile phases were carried out at X-band (9.6 GHz) at 77, 120-300 K and at 236 GHz at 292 K. The analysis of EPR data for as-grown and annealed anatase and rutile samples revealed the presence of several paramagnetic centers: Ti 3+ , O - , adsorbed oxygen (O 2 - ) and oxygen vacancies. On the other hand, in as-grown rutile samples, there were observed EPR lines due to adsorbed oxygen (O 2 - ) and the Fe 3+ ions in both Ti 4+ substitutional positions, with and without coupling to an oxygen vacancy in the near neighborhood. Anatase nanoparticles were completely converted to rutile phase when annealed at 1000° C, exhibiting EPR spectra similar to those exhibited by the as-grown rutile nanoparticles. The high-frequency (236 GHz) EPR data on anatase and rutile samples, recorded in the region about g = 2.0 exhibit resolved EPR lines, due to O - and O 2 - ions enabling determination of their g-values with higher precision, as well as observation of hyperfine sextets due to Mn 2+ and Mn 4+ ions in anatase.

Nanocrystalline sp{sup 2} and sp{sup 3} carbons: CVD synthesis and applications

Energy Technology Data Exchange (ETDEWEB)

Terranova, M. L. [Università degli Studi di Roma “Tor Vergata,” via Della Ricerca Scientifica, Dipartimento di Scienze e Tecnologie Chimiche—MinimaLab (Italy); Rossi, M. [Università degli Studi di Roma “Sapienza,” via A. Scarpa, Dipartimento di Scienze di Base e Applicate per l’Ingegneria and Centro di Ricerca per le Nanotecnologie Applicate all’Ingegneria (CNIS) (Italy); Tamburri, E., E-mail: emanuela.tamburri@uniroma2.it [Università degli Studi di Roma “Tor Vergata,” via Della Ricerca Scientifica, Dipartimento di Scienze e Tecnologie Chimiche—MinimaLab (Italy)

2016-11-15

The design and production of innovative materials based on nanocrystalline sp{sup 2}- and sp{sup 3}-coordinated carbons is presently a focus of the scientific community. We present a review of the nanostructures obtained in our labs using a series of synthetic routes, which make use of chemical vapor deposition (CVD) techniques for the selective production of non-planar graphitic nanostructures, nanocrystalline diamonds, and hybrid two-phase nanostructures.

Electric-dipole effect of defects on the energy band alignment of rutile and anatase TiO₂.

Science.gov (United States)

Zhang, Daoyu; Yang, Minnan; Dong, Shuai

2015-11-21

Titanium dioxide materials have been studied intensively and extensively for photocatalytic applications. A long-standing open question is the energy band alignment of rutile and anatase TiO2 phases, which can affect the photocatalytic process in the composite system. There are basically two contradictory viewpoints about the alignment of these two TiO2 phases supported by the respective experiments: (1) straddling type and (2) staggered type. In this work, our DFT plus U calculations show that the perfect rutile(110) and anatase(101) surfaces have the straddling type band alignment, whereas the surfaces with defects can turn the band alignment into the staggered type. The electric dipoles induced by defects are responsible for the reversal of band alignment. Thus the defects introduced during the preparation and post-treatment processes of materials are probably the answer to the above open question regarding the band alignment, which can be considered in real practice to tune the photocatalytic activity of materials.

Bioactive nanocrystalline wollastonite synthesized by sol–gel ...

Indian Academy of Sciences (India)

The sol–gel combustion method was employed to synthesize the nanocrystalline wollastonite by taking the raw eggshell powder as a calcium source and TEOS as a source of silicate. Glycine was used as a reductant or fuel and nitrate ions present in metal nitrate acts as an oxidizer. The phase purity of the wollastonite was ...

Low-Temperature Reverse Microemulsion Synthesis, Characterization, and Photocatalytic Performance of Nanocrystalline Titanium Dioxide

Directory of Open Access Journals (Sweden)

Zhang Liu

2012-01-01

Full Text Available Nanocrystalline titanium dioxide (TiO2 was synthesized in microemulsions by using cetyltrimethylammonium bromide (CTAB as surfactant. In order to investigate the crystal transformation and photoactivity at low temperature, the as-prepared precipitates were aged at 65°C or calcined at various temperatures. Analyses using powder X-ray diffraction (XRD and Fourier transform infrared microscopy (FT-IR showed that precursors without aging or calcination were noncrystal and adsorbed by surfactant. After aging for 6 h, the amorphous TiO2 began to change into anatase. The obtained catalysts, which were synthesized in microemulsions with weight ratios of n-hexanol/CTAB/water as 6 : 3 : 1 and calcined at 500°C, presented the highest photocatalytic degradation rate on methyl orange (MO, while the catalysts, which were aged at 65°C for 90 h, also exhibited an outstanding photocatalytic performance and a little higher than that of the commercial titania photocatalyst Degussa P25.

An effective method for the preparation of high temperature stable anatase TiO{sub 2} photocatalysts

Energy Technology Data Exchange (ETDEWEB)

Fagan, Rachel; Synnott, Damian W.; McCormack, Declan E. [Centre for Research in Engineering Surface Technology (CREST), FOCAS Institute, Dublin Institute of Technology, Kevin St., Dublin 8 (Ireland); School of Chemical and Pharmaceutical Sciences, Dublin Institute of Technology, Kevin St., Dublin 8 (Ireland); Pillai, Suresh C., E-mail: pillai.suresh@itsligo.ie [Nanotechnology Research Group, Department of Environmental Sciences, Institute of Technology Sligo (Ireland); Centre for Precision Engineering, Materials and Manufacturing Research (PEM), Institute of Technology Sligo, Sligo (Ireland)

2016-05-15

Highlights: • A rapid preparation method for the N, F codoped TiO{sub 2} is reported. • Anatase stability was achieved by using N, F doping and a microwave process. • High temperature stable anatase up to 1200 °C is reported. • Production of ammonium oxofluorotitanates (NH{sub 4}TiOF{sub 3}) intermediate is reported. - Abstract: An efficient, rapid and straightforward method for the preparation of nitrogen and fluorine (N, F) codoped high temperature stable anatase using a microwave pre-treatment is reported. Using a single source, ammonium fluoride (NH{sub 4}F) for both nitrogen and fluorine, effective doping of the precursor titanium isopropoxide (TTIP) was possible. These samples were characterised for their structural and optical properties using X-ray diffraction (XRD), Fourier Transform IR (FTIR), Raman spectroscopy and UV–vis spectroscopy. In terms of the anatase to rutile transition enhancement using a novel microwave assisted technique, the sample prepared in a composition of 1:8 TiO{sub 2}: NH{sub 4}F at 1200 °C was seen to be most effective, having stable anatase present at 57.1% compared to undoped TiO{sub 2} being 100% rutile from 900 °C. This method involves the production of ammonium oxofluorotitanates (NH{sub 4}TiOF{sub 3}) at low temperatures. The inclusion of these intermediates greatly reduces the particle size growth and delays the anatase to rutile transition. The photocatalytic activity of these materials was studied by analysing the degradation of an organic dye, rhodamine 6G as a model system and the rate constant was calculated by pseudo-first-order kinetics. These results showed that the doped sample (0.0225 min{sup −1}) was three times more active than the undoped sample (0.0076 min{sup −1}) and over seven times faster than the commercial TiO{sub 2} photocatalyst standard Degussa P-25 calcined at 1200 °C (0.0030 min{sup −1}). The formation of intermediate compounds, oxofluorotitanates, was identified as the major

Novel transparent conducting oxide: Anatase Ti1-xNb xO2

International Nuclear Information System (INIS)

Furubayashi, Yutaka; Hitosugi, Taro; Yamamoto, Yukio; Hirose, Yasushi; Kinoda, Go; Inaba, Kazuhisa; Shimada, Toshihiro; Hasegawa, Tetsuya

2006-01-01

Single-crystalline Ti 1-x Nb x O 2 (x = 0.2) films of 40 nm thickness were deposited on SrTiO 3 (100) substrates by the pulsed laser deposition (PLD) technique. X-ray diffraction measurement confirmed epitaxial growth of anatase (001) film. The resistivity of Ti 1-x Nb x O 2 films with x ≥ 0.03 is 2-3 x 10 -4 Ω cm at room temperature. The carrier density of Ti 1-x Nb x O 2 , which is almost proportional to the Nb concentration, can be controlled in a range of 1 x 10 19 to 2 x 10 21 cm -3 . Optical measurements revealed that internal transmittance in the visible and near-infrared region for films with x = 0.03 was more than 97%. These results demonstrate that the presently developed anatase Ti 1-x Nb x O 2 is one of the promising candidates for the practical TCOs

Anti-corrosive and anti-microbial properties of nanocrystalline Ni-Ag coatings

Energy Technology Data Exchange (ETDEWEB)

Raghupathy, Y.; Natarajan, K.A.; Srivastava, Chandan, E-mail: csrivastava@materials.iisc.ernet.in

2016-04-15

Graphical abstract: - Highlights: • Electrodeposition yielded phase-segregated, nanocrystalline Ni-Ag coatings. • Ni-Ag alloys exhibited smaller Ni crystals compared to pure Ni. • Ultra fine Ni grains of size 12–14 nm favoured Ni-Ag solid solution. • Nanocrystalline Ag resisted bio-fouling by Sulphate Reducing bacteria. • Ni-Ag outperformed pure Ni in corrosion and bio-corrosion tests. - Abstract: Anti-corrosive and anti-bacterial properties of electrodeposited nanocrystalline Ni-Ag coatings are illustrated. Pure Ni, Ni-7 at.% Ag, & Ni-14 at.% Ag coatings were electrodeposited on Cu substrate. Coating consisted of Ni-rich and Ag-rich solid solution phases. With increase in the Ag content, the corrosion resistance of the Ni-Ag coating initially increased and then decreased. The initial increase was due to the Ni-Ag solid solution. The subsequent decrease was due to the increased galvanic coupling between the Ag-rich and Ni-rich phases. For all Ag contents, the corrosion resistance of the Ni-Ag coating was higher than the pure Ni coating. Exposure to Sulphate Reducing Bacteria (SRB) revealed that the extent of bio-fouling decreased with increase in the Ag content. After 2 month exposure to SRB, the Ni-Ag coatings demonstrated less loss in corrosion resistance (58% for Ni-7 at.% Ag and 20% for Ni-14 at.% Ag) when compared pure Ni coating (115%).

Structural analysis of nanocrystalline ZnTe alloys synthesized by melt quenching technique

Science.gov (United States)

Singh, Harinder; Singh, Tejbir; Thakur, Anup; Sharma, Jeewan

2018-05-01

Nanocrystalline ZnxTe100-x (x=0, 5, 20, 30, 40, 50) alloys have been synthesized using melt quenching technique. Energy-dispersive X-Ray spectroscopy (EDS) has been used to verify the elemental composition of samples. Various absorption modes are recorded from Fourier transform infrared spectroscopy (FTIR) confirming the formation of ZnTe. The structural study has been performed using X-Ray Diffraction (XRD) method. All synthesized samples have been found to be nanocrystalline in nature with average crystallite size in the range from 49.3 nm to 77.1 nm. Results have shown that Zn0Te100 exhibits hexagonal phase that transforms into a cubic ZnTe phase as the amount of zinc is increased. Pure ZnTe phase has been obtained for x = 50. The texture coefficient (Tc) has been calculated to find the prominent orientations of different planes.

Sol-gel synthesis of anatase nanopowders for efficient photocatalytic degradation of herbicide Clomazone in aqueous media

Directory of Open Access Journals (Sweden)

Golubović Aleksandar

2017-01-01

Full Text Available TiO2 nanopowders were produced by sol-gel technique using TiCl4 as a starting material. For the preparation of crystalline anatase with developed surface area, this aqueous solution has been mixed with 0.05 M or 0.07 M (NH42SO4 solution in a temperature-controlled bath. The pH values of the suspension were 7, 8 or 9. According to the x-ray diffraction (XRD analysis the anatase crystallite sizes were about 12 nm, which coincided with the average particle size revealed by scanning electron microscopy (SEM. The Raman scattering measurements have shown the presence of a small amount of highly disordered brookite phase in addition to dominant anatase phase with similar nanostructure in all synthesized powders. BET measurements revealed that all synthesized catalysts were fully mesoporous, except the sample synthesized with 0.07 M (NH42SO4 at pH=9, which had small amount of micropores. The photocatalytic degradation of herbicide Clomazone was carried out for both the pure active substance and as the commercial product (GAMIT 4-EC under UV irradiation. The best photocatalytic efficiency was obtained for the catalyst with the largest specific surface area, confirming this parameter as crucial for enhanced photocatalytic degradation of the pure active substance and commercial product of herbicide Clomazone. [Project of the Serbian Ministry of Education, Science and Technological Development, Grant no. III45018

Magnetism and structure of Cu{sub 2}O{sub 1+x} and 3d-doped TiO{sub 2-x} nanopowders

Energy Technology Data Exchange (ETDEWEB)

Yermakov, A.Ye. [Institute of Metal Physics, Ural Division of RAS, Ekaterinburg 620041 (Russian Federation)]. E-mail: yermakov@imp.uran.ru; Uimin, M.A. [Institute of Metal Physics, Ural Division of RAS, Ekaterinburg 620041 (Russian Federation); Mysik, A.A. [Institute of Metal Physics, Ural Division of RAS, Ekaterinburg 620041 (Russian Federation); Vykhodets, V.B. [Institute of Metal Physics, Ural Division of RAS, Ekaterinburg 620041 (Russian Federation); Kurennykh, T.E. [Institute of Metal Physics, Ural Division of RAS, Ekaterinburg 620041 (Russian Federation); Sokolov, V.I. [Institute of Metal Physics, Ural Division of RAS, Ekaterinburg 620041 (Russian Federation); Gaviko, V.S. [Institute of Metal Physics, Ural Division of RAS, Ekaterinburg 620041 (Russian Federation); Schegoleva, N.N. [Institute of Metal Physics, Ural Division of RAS, Ekaterinburg 620041 (Russian Federation); Gruzdev, N.B. [Institute of Metal Physics, Ural Division of RAS, Ekaterinburg 620041 (Russian Federation)

2007-03-15

The structural features and magnetic properties of non-stoichiometric nanocrystalline semiconductors Cu{sub 2}O{sub 1+x} and TiO{sub 2-x} doped with 3d-metals were investigated. The nanopowders were obtained by gas-phase synthesis in the oxygen contained argon atmosphere. For nanocrystalline samples Cu{sub 2}O{sub 1+x} with oxygen concentration more than stoichiometry (x>0) magnetic hysteresis properties up to temperatures above room temperature (RT) were discovered. In the case of oxygen deficit in TiO{sub 2-x} on the condition that rutile or anatase structure remains, the magnetic moment value grows and the magnetization curves at RT become nonlinear. On doping TiO{sub 2-x} with cobalt, the magnetic moment value increases without indications of magnetic ordering at RT. In the optical absorption spectra of Cu{sub 2}O{sub 1+x} nanopowders at 77K, the peaks in the range of wavelengths 480 and 460nm were revealed, which are close to peaks at n=1 of the blue and indigo exciton series for Cu{sub 2}O single crystal.

Visualizing decoupling in nanocrystalline alloys: A FORC-temperature analysis

Science.gov (United States)

Rivas, M.; Martínez-García, J. C.; Gorria, P.

2016-02-01

Devitrifying ferromagnetic amorphous precursors in the adequate conditions may give rise to disordered assemblies of densely packed nanocrystals with extraordinary magnetic softness well explained by the exchange coupling among multiple crystallites. Whether the magnetic exchange interaction is produced by direct contact or mediated by the intergranular amorphous matrix has a strong influence on the behaviour of the system above room temperature. Multi-phase amorphous-nanocrystalline systems dramatically harden when approaching the amorphous Curie temperature (TC) due to the hard grains decoupling. The study of the thermally induced decoupling of nanosized crystallites embedded in an amorphous matrix has been performed in this work by the first-order reversal curves (FORCs) analysis. We selected a Fe-rich amorphous alloy with TC = 330 K, in order to follow the evolution of the FORC diagrams obtained below and above such temperature in samples with different percentages of nanocrystalline phase. The existence of up to four regions exhibiting unlike magnetic behaviours is unambiguously determined from the temperature evolution of the FORC.

Soft Magnetic Properties of Nanocrystalline Fe-M-(B and/or O)(M=Group IV A, V A Elements) Alloy Films

OpenAIRE

Hayakawa, Y.; Makino, A.; Inoue, A.; Masumoto, T.

1996-01-01

In Fe-M-(B and/or O)(M=group IV A, V A elements) alloy films, nanocrystalline bcc phase are formed by annealing the amorphous single phase for Fe-M-B films, whereas the bcc nanocrystals are already formed in an as-deposited state for Fe-M-O or Fe-M-B-O) films. Among Fe-M-B films with various M elements, Fe-(Zr, Hf, Nb, Ta)-B alloy films exhibit high saturation magnetization (Is) above 1.4 T and high relative permeability (|μ|) above 1000 at 1MHz. The highest |μ| of 3460 at 1MHz is obtained fo...

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.

Characteristics of W Doped Nanocrystalline Carbon Films Prepared by Unbalanced Magnetron Sputtering.

Science.gov (United States)

Park, Yong Seob; Park, Chul Min; Kim, Nam-Hoon; Kim, Jae-Moon

2016-05-01

Nanocrystalline tungsten doped carbon (WC) films were prepared by unbalanced magnetron sputtering. Tungsten was used as the doping material in carbon thin films with the aim of application as a contact strip in an electric railway. The structural, physical, and electrical properties of the fabricated WC films with various DC bias voltages were investigated. The films had a uniform and smooth surface. Hardness and frication characteristics of the films were improved, and the resistivity and sheet resistance decreased with increasing negative DC bias voltage. These results are associated with the nanocrystalline WC phase and sp(2) clusters in carbon networks increased by ion bombardment enhanced with increasing DC bias voltage. Consequently, the increase of sp(2) clusters containing WC nanocrystalline in the carbon films is attributed to the improvement in the physical and electrical properties.

Enhanced field emission from Si doped nanocrystalline AlN thin films

International Nuclear Information System (INIS)

Thapa, R.; Saha, B.; Chattopadhyay, K.K.

2009-01-01

Si doped and undoped nanocrystalline aluminum nitride thin films were deposited on various substrates by direct current sputtering technique. X-ray diffraction analysis confirmed the formation of phase pure hexagonal aluminum nitride with a single peak corresponding to (1 0 0) reflection of AlN with lattice constants, a = 0.3114 nm and c = 0.4986 nm. Energy dispersive analysis of X-rays confirmed the presence of Si in the doped AlN films. Atomic force microscopic studies showed that the average particle size of the film prepared at substrate temperature 200 deg. C was 9.5 nm, but when 5 at.% Si was incorporated the average particle size increased to ∼21 nm. Field emission study indicated that, with increasing Si doping concentration, the emission characteristics have been improved. The turn-on field (E to ) was 15.0 (±0.7) V/μm, 8.0 (±0.4) V/μm and 7.8 (±0.5) V/μm for undoped, 3 at.% and 5 at.% Si doped AlN films respectively and the maximum current density of 0.27 μA/cm 2 has been observed for 5 at.% Si doped nanocrystalline AlN film. It was also found that the dielectric properties were highly dependent on Si doping.

Thermally Stable Nanocrystalline Steel

Science.gov (United States)

Hulme-Smith, Christopher Neil; Ooi, Shgh Woei; Bhadeshia, Harshad K. D. H.

2017-10-01

Two novel nanocrystalline steels were designed to withstand elevated temperatures without catastrophic microstructural changes. In the most successful alloy, a large quantity of nickel was added to stabilize austenite and allow a reduction in the carbon content. A 50 kg cast of the novel alloy was produced and used to verify the formation of nanocrystalline bainite. Synchrotron X-ray diffractometry using in situ heating showed that austenite was able to survive more than 1 hour at 773 K (500 °C) and subsequent cooling to ambient temperature. This is the first reported nanocrystalline steel with high-temperature capability.

Anatase phase stability and doping concentration dependent refractivity in codoped transparent conducting TiO2 films

International Nuclear Information System (INIS)

Chen, T L; Furubayashi, Y; Hirose, Y; Hitosugi, T; Shimada, T; Hasegawa, T

2007-01-01

Nb 0.06 Sn x Ti 0.94-x O 2 (x ≤ 0.3) thin films were grown by a pulsed-laser deposition method with varying Sn concentration. Through a combinatorial technique, we find that Sn concentration can reach a maximum of about x = 0.3 while maintaining the stable anatase phase and epitaxy. A doping concentration dependence of the refractivity is revealed, in which refractivity reduction at a wavelength of λ = 500 nm is estimated to be 12.4% for Nb 0.06 Sn 0.3 Ti 0.64 O 2 thin film. Sn doping induced band-gap blue shift can be contributed to the mixing of extended Sn 5s orbitals with the conduction band of TiO 2 . Low resistivity on the order of 10 -4 Ω cm at room temperature and high internal transmittance of more than 95% in the visible light region are exhibited for Nb 0.06 Sn x Ti 0.94-x O 2 thin films (x ≤ 0.2). Optical and transport analyses demonstrate that doping Sn into Nb 0.06 Ti 0.94 O 2 can reduce the refractivity while maintaining low resistivity and high transparency

Electrodeposition and Characterization of Nanocrystalline Ni-Mo Catalysts for Hydrogen Production

Directory of Open Access Journals (Sweden)

J. Halim

2012-01-01

Full Text Available Ni-Mo nanocrystalline deposits (7–43 nm with a nodular morphology were prepared by electrodeposition using direct current from citrate-ammonia solutions. They exhibited a single Ni-Mo solid solution phase. The size of the nodules increased as electroplating current density increased. The molybdenum content—estimated using EDX analysis—in the deposits decreased from about 31 to 11 wt% as the current density increased from 5 to 80 mA·cm−2. The highest microhardness value (285 Hv corresponded to nanodeposits with 23% Mo. The highest corrosion resistance accompanied by relatively high hardness was detected for electrodeposits containing 15% Mo. Mo content values between 11 and 15% are recommended for obtaining better electrocatalytic activity for HER.

Nanocrystalline alloys of Fe-Cu-Nb-Si-B after neutron irradiation

International Nuclear Information System (INIS)

Sitek, J.; Toth, I.; Degmova, J.; Uvacik, P.

1997-01-01

Transmission Moessbauer spectroscopy was used to study changes induced by irradiation of amorphous and nanocrystalline samples. In an as-cast sample, neutrons mostly affect the orientation of the net magnetic moment. The average hyperfine field decreases with increasing neutron fluencies. In the case of the nanocrystalline samples a new disordered structure is created in the amorphous remainder corresponding to boride phases as it is shown in the samples isothermally heated from 1 to 8 hours. The structural changes of the amorphous remainder depend on the stage of crystallization and total neutron fluencies. (author). 1 tab., 3 figs., 7 refs

Mechanochemical synthesis of nanocrystalline Fe and Fe–B magnetic alloys

International Nuclear Information System (INIS)

Mohammadi, Majid; Ghasemi, Ali; Tavoosi, Majid

2016-01-01

Mechanochemical synthesis and magnetic characterization of nanocrystalline Fe and Fe–B magnetic alloys was the goal of this study. In this regard, different Fe_2O_3–B_2O_3 powder mixtures with sufficient amount of CaH_2 were milled in a planetary ball mill in order to produce nanocrystalline Fe, Fe_9_5B_5 and Fe_8_5B_1_5 alloys. The produced samples were characterized using X-ray diffraction (XRD), differential scanning calorimetry (DSC), scanning electron microscopy (SEM) and vibrating sample magnetometer (VSM). The results showed that, nanocrystalline Fe, Fe_9_5B_5 and Fe_8_5B_1_5 alloys can be successfully synthesized by the reduction reaction of Fe_2O_3 and B_2O_3 with CaH_2 during mechanical alloying. The structure of produced Fe_9_5B_5 and Fe_8_5B_1_5 alloys was a combination of Fe and Fe_2B phases with average crystallite sizes of about 15 and 10 nm, respectively. The produced nanocrystalline alloys exhibited soft magnetic properties with the coercivity and saturation of magnetization in the range of 170–240 Oe and 9–28 emu/g, respectively. Increasing the boron content has a destructive effect on soft magnetic properties of Fe–B alloys. - Highlights: • We study the mechanochemical synthesis of nanocrystalline boron, Fe and Fe–B alloys. • We study the reduction reaction of B_2O_3–CaH_2 during milling. • We study the reduction reaction of Fe_2O_3–CaH_2 during milling. • We study the reduction reaction of Fe_2O_3–B_2O_3–CaH_2 during milling. • We study the effect of B on magnetic properties of nanocrystalline Fe–B alloys.

Extreme biomimetic approach for synthesis of nanocrystalline chitin-(Ti,Zr)O2 multiphase composites

International Nuclear Information System (INIS)

Wysokowski, Marcin; Motylenko, Mykhaylo; Rafaja, David; Koltsov, Iwona; Stöcker, Hartmut; Szalaty, Tadeusz J.; Bazhenov, Vasilii V.; Stelling, Allison L.; Beyer, Jan; Heitmann, Johannes; Jesionowski, Teofil; Petovic, Slavica; Đurović, Mirko; Ehrlich, Hermann

2017-01-01

This work presents an extreme biomimetics route for the modification of the surface of fibre-based scaffolds of poriferan origin by the creation of novel nanostructured multiphase biocomposites. The exceptional thermal stability of the nanostructured sponge chitin allowed for the formation of a novel nanocrystalline chitin-(Ti,Zr)O 2 composite with a well-defined nanoscale structure under hydrothermal conditions (160 °C). Using a combination of experimental techniques, including X-ray diffraction, scanning electron microscopy, high resolution transmission electron microscopy, EDX mapping and near-edge electron loss spectroscopy (ELNES) in TEM and thermogravimetry/differential scanning calorimetry coupled with mass spectrometry; we showed that this bioorganic scaffold facilitates selective crystallization of TiO 2 , predominantly in form of anatase, over the monoclinic zirconium dioxide (baddeleyite). The control of the crystal morphology through the chitin templates is also demonstrated. Obtained samples were characterized in terms of their photoluminescent properties and photocatalytic performance. These data confirm the high potential of the extreme biomimetics approach for developing a new generation of multiphase biopolymer-based nanostructured materials. - Highlights: • Extreme biomimetically prepared chitin-(Ti,Zr)O 2 and (Ti,Zr)O 2 composites. • Chitin-(Ti,Zr)O 2 composite contains anatase as the most inorganic component. • The mean crystallite size is (31.7 ± 0.3) nm for chitin-(Ti,Zr)O 2 composite. • The mean crystallite size is (2.4 ± 0.5) nm for (Ti,Zr)O 2 composite. • (Ti,Zr)O 2 composite is 2 times more effective photocatalyst than chitin-(Ti,Zr)O 2 .

Synthesis and characterization of thermally stable large-pore mesoporous nanocrystallineanatase

Energy Technology Data Exchange (ETDEWEB)

Ermokhina, Natalia I.; Nevinskiy, Vitaly A.; Manorik, Piotr A.; Ilyin, Vladimir G. [L.V. Pisarzhevskiy Institute of Physical Chemistry, National Academy of Sciences of Ukraine, 31 Prospekt Nauki, Kyiv 03028 (Ukraine); Novichenko, Viktor N.; Shcherbatiuk, Mykola M.; Klymchuk, Dmitro O. [M.G. Kholodny Institute of Botany, National Academy of Sciences of Ukraine, 2Tereshchenkivska St., 01601, Kyiv (Ukraine); Tsyba, Mykola M. [Institute for Sorption and Problems of Endoecology, National Academy of Sciences of Ukraine, 13 Naumov St., Kyiv 03164 (Ukraine); Puziy, Alexander M., E-mail: alexander.puziy@ispe.kiev.ua [Institute for Sorption and Problems of Endoecology, National Academy of Sciences of Ukraine, 13 Naumov St., Kyiv 03164 (Ukraine)

2013-04-15

Thermally stable mesoporous nanocrystalline TiO{sub 2} with a pure anatase structure was obtained by sol–gel synthesis (in combination with hydrothermal treatment) using titanium tetrabutoxide and dibenzo-18-crown-6 as a structure-directing agent in presence of surfactant and/or La{sup 3+} ions additives. Nanocrystalline TiO{sub 2} demonstrates various textures with a well-defined spherical morphology (micro- and nanospheres), a crystallite size of no greater than 10 nm (XRD), and a narrow pore size distribution. Spherical particles of micrometer scale in the presence of La{sup 3+} ions do not form. TiO{sub 2} calcined (at 500 °C) after hydrothermal treatment (at 175 °C) has a significantly more developed porous structure as compared with TiO{sub 2} which was not treated hydrothermally. For example, specific surface area amounts 137 m{sup 2} g{sup −1} and 69 m{sup 2} g{sup −1}, pore volume 0.98 cm{sup 3} g{sup −1} and 0.21 cm{sup 3} g{sup −1}, pore diameter 17.5 nm and 12.5 nm respectively for samples hydrothermally treated and not treated. - Graphical abstract: Large-pore mesoporous nanocristalline anatase. Highlights: ► Large-pore mesoporous nanocrystalline TiO{sub 2} was obtained by sol–gel synthesis. ► Crown ether was used as template in presence of surfactant and/or La{sup 3+} ions. ► Anatase (crystalline size<11 nm) is the only crystalline phase present in TiO{sub 2}. ► TiO{sub 2} shows well-defined homogeneous spherical morphology (micro- and nano-spheres)

Low temperature N,N-dimethylformamide-assisted synthesis and characterization of anatase-rutile biphasic nanostructured titania

Energy Technology Data Exchange (ETDEWEB)

Estruga, M; Domenech, X; Ayllon, J A [Departament de Quimica, Universitat Autonoma de Barcelona, Campus UAB, E-08193 Bellaterra (Spain); Domingo, C [Institut de Ciencia dels Materials de Barcelona (CSIC), Campus UAB, E-08193 Bellaterra (Spain)], E-mail: joseantonio.ayllon@uab.es, E-mail: mestruga@qf.uab.cat

2009-03-25

Anatase and rutile biphasic nanostructured titania (TiO{sub 2}) has been synthesized via hydrolysis of titanium tetraisopropoxide in an aqueous solution of hydrobromic acid (HBr) and N,N-dimethylformamide (DMF) at 80 deg. C for 16 h. The presence of DMF, which was partially hydrolyzed during the process, determined the formation of a biphasic material. Powder x-ray diffraction showed the presence of both anatase and rutile titania phases in a ratio of approx. 1:1. Transmission electron microscope analysis showed that rutile was present as radial flower-like nanorods, which were surrounded by anatase spherical nanoparticles of 5 nm diameter. Low temperature nitrogen adsorption-desorption analysis showed the characteristic hysteresis loop of a mesoporous material. Specific surface area reached a value of 120 m{sup 2} g{sup -1} and the average pore diameter was 50 A. X-ray photoelectron spectroscopic analysis revealed that interstitial nitrogen was incorporated (0.35 at.%) during the annealing process. According to ultraviolet (UV)-visible diffuse reflectance spectroscope characterization, the N-doping caused a bandgap reduction from 3.0 to 2.9 eV. Photocatalytic activity of the material was tested for the degradation of methylene blue, methyl orange and 4-nitrophenol under near-UV and visible light radiation.

Effect of nanocrystalline phase on the electrochemical behavior of the alloy Ti{sub 60}Ni{sub 40}

Energy Technology Data Exchange (ETDEWEB)

Mathur, Shubhra, E-mail: shubhramathur3@gmail.com [Department of Physics, Jagannath Gupta Institute of Engineering and Technology, Jaipur 303905 (India); Jain, Rohit [Department of Physics, Jagannath Gupta Institute of Engineering and Technology, Jaipur 303905 (India); Kumar, Praveen [Surface Physics and Nanostructure Group, National Physical Laboratory, New Delhi 110012 (India); Sachdev, K.; Sharma, S.K. [Department of Physics, Malaviya National Institute of Technology, JLN-Marg, Jaipur 302017 (India)

2012-10-15

Highlights: Black-Right-Pointing-Pointer Polarization studies carried out on different structural states of the alloy Ti{sub 60}Ni{sub 40}. Black-Right-Pointing-Pointer Nanocrystalline state exhibits superior corrosion resistance as compared to other states of the alloy Ti{sub 60}Ni{sub 40}. Black-Right-Pointing-Pointer XPS results show that nanocrystalline specimen contains only TiO{sub 2} species. Black-Right-Pointing-Pointer It leads to the formation of adherent and stable film and improves the corrosion resistance. - Abstract: Polarization studies were carried out on crystalline, amorphous and nanocrystalline states of the alloy Ti{sub 60}Ni{sub 40} in 1 M NaCl aqueous medium at room temperature. It was observed that nanocrystalline state exhibits superior corrosion resistance as compared to other states of the alloy Ti{sub 60}Ni{sub 40}. Cyclic voltammetry studies and weight loss data corroborates the polarization studies. X-ray photoelectron spectroscopy (XPS) technique was used in order to decipher the nature of the oxide film formed after corrosion test on the specimens of the alloy Ti{sub 60}Ni{sub 40}. The crystalline specimen of the alloy Ti{sub 60}Ni{sub 40} shows the presence of Ti{sup 2+}, Ti{sup 3+} and Ti{sup 4+} species along with some unoxidized Ti in metallic form (Ti{sup 0}) whereas the amorphous specimen consists of Ti{sup 3+} and Ti{sup 4+} species. On the other hand nanocrystalline specimen contains only Ti{sup 4+} species. Thus it is likely that the presence of fewer species and the absence of Ti{sup 3+} in the oxide film formed on nanocrystalline specimen of Ti{sub 60}Ni{sub 40} lead to the formation of a film with greater homogeneity and protective quality in comparison to the films formed on crystalline and amorphous states of the alloy Ti{sub 60}Ni{sub 40} in 1 M NaCl aqueous medium.

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.

Synthesis of anatase nanopowders by sol-gel method and influence of temperatures of calcination to their photocatalitic properties

Directory of Open Access Journals (Sweden)

Golubović A.

2015-01-01

Full Text Available The titanium dioxide (TiO2 nanopowders were produced by sol-gel technique from tetrabutyl titanate as a precursor, varying the temperature оf calcination (from 500 to 550°C with the step of 10 °C. XRPD results have shown that all synthesized nanopowders are dominantly in anatase phase. The analysis of the shift and linewidth of the most intensive anatase Eg Raman mode confirmed the XRPD results and added the presence of small amount of highly disordered brookite phase in all samples. The analysis of pore structure from nitrogen sorption experimental data described all samples as mesoporous, with mean pore diameters in the range of 1.5 and 4.5 nm. Nanopowder properties have been related to the photocatalytic activity, tested in degradation of the textile dye (C.I. Reactive Orange 16. The sample calcined at temperature of 510°C showed the best photocatalytic performance. [Projekat Ministarstva nauke Republike Srbije, br. III45018 i br. OI171032

Powder-based synthesis of nanocrystalline material components for structural application. Final report

Energy Technology Data Exchange (ETDEWEB)

Ilyuschenko, A.F.; Ivashko, V.S.; Okovity, V.A. [Powder Metallurgy Research Inst., Minsk (Belarus)] [and others

1998-12-01

Hydroxiapate spray coatings and substrates for implant production as well as multilayered metal ceramic coatings from nanocrystalline materials are a subject of the investigation. The work aims at the improvement of quality of said objects. This study has investigated the processes of hydroxiapatite powder production. Sizes, shapes and relief of initial HA powder surface are analyzed using SEM and TEM. Modes of HA plasma spraying on a substrate from titanium and associated compositions of traditional and nanocrystalline structure are optimized. The quality of the sprayed samples are studied using X-ray phase analysis and metallographic analysis. The results of investigations of bioceramic coating spraying on titanium are theoretically generalized, taking into account obtained experimental data. The results of investigations of ion-beam technology are presented for spraying multilayered coatings consisting of alternating metal-ceramic layers of nanocrystalline structure.

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

Science.gov (United States)

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

2017-10-25

The {001}-faceted anatase TiO 2 micro-/nanocrystals have been widely investigated for enhancing the photocatalysis and photoelectrochemical performance of TiO 2 nanostructures, but their practical applications still require improved energy conversion efficiency under solar-light and enhanced cycling stability. In this work, we demonstrate the controlled growth of ultrathin {001}-faceted anatase TiO 2 nanosheets on flexible carbon cloth for enhancing the cycling stability, and the solar-light photocatalytic performance of the synthesized TiO 2 nanosheets can be significantly improved by decorating with vapor-phase-deposited uniformly distributed plasmonic gold nanoparticles. The fabricated Au-TiO 2 hybrid system shows an 8-fold solar-light photocatalysis enhancement factor in photodegrading Rhodamine B, a high photocurrent density of 300 μA cm -2 under the illumination of AM 1.5G, and 100% recyclability under a consecutive long-term cycling measurement. Combined with electromagnetic simulations and systematic control experiments, it is believed that the tandem-type separation and transition of plasmon-induced hot electrons from Au nanoparticles to the {001} facet of anatase TiO 2 , and then to the neighboring {101} facet, is responsible for the enhanced solar-light photochemical performance of the hybrid system. The Au-TiO 2 nanosheet system addresses well the problems of the limited solar-light response of anatase TiO 2 and fast recombination of photogenerated electron-hole pairs, representing a promising high-performance recyclable solar-light-responding system for practical photocatalytic reactions.

Hot corrosion of arc ion plating NiCrAlY and sputtered nanocrystalline coatings on a nickel-based single-crystal superalloy

International Nuclear Information System (INIS)

Wang, Jinlong; Chen, Minghui; Cheng, Yuxian; Yang, Lanlan; Bao, Zebin; Liu, Li; Zhu, Shenglong; Wang, Fuhui

2017-01-01

Highlights: •Hot corrosion of three metallic coatings was investigated. •NiCrAlY coating loses protectiveness against hot corrosion due to scale spallation. •The two nanocrystalline coatings perform better than NiCrAlY in hot corrosion. •Ta oxidation leads to scale pitting and corrosion of the nanocrystalline coating. •Y addition in the nanocrystalline coating reduces such harmful effect of Ta. -- Abstract: Hot corrosion in sulfate salt at 850 °C of three metallic coatings is investigated comparatively. The NiCrAlY coating loses its protectiveness after 200 h corrosion. Its oxide scale spalls off partly and becomes porous as a consequence of basic fluxing. The nanocrystalline coating (SN) performs better than the NiCrAlY one, but its scale is porous as well. Oxidation and/or sulfidation of Ta account for the formation of pores. The yttrium modified nanocrystalline coating (SNY) provides the highest corrosion resistance. Yttrium completely inhibits oxidation and sulfidation of Ta. Its scale is intact and adherent, and exclusively composted of alumina.

Critical currents and fields of disordered nanocrystalline superconductors

International Nuclear Information System (INIS)

Yavary, H.; Shahzamanian, M.A.; Rabbani, H.

2007-01-01

Full text: There is an enormous effort directed at increasing the upper critical field of the superconducting materials because this upper critical field provides a fundamental limit to the maximum field a magnet system can produce. High-energy particle accelerators and medical resonance imaging body scanners are limited by the for NbTi (10 T). Gigahertz class nuclear-magnetic-resonance and high field laboratory magnets are limited by for Nb 3 Sn (23 T) [1]. However, the values of critical current density are too low for industrial use, possibly because of degraded or nonsuperconducting phases, such as MoS 2 or Mo 2 S 3 , at the grain boundaries or because the pinning site density is not high enough. It has long been known that decreasing the grain size of low-temperature superconducting (LTS) materials, such as Nb 3 Sn, increases the density of flux pinning sites and hence. Nanocrystalline materials are characterized by ultrafine grains and a high density of grain boundaries [2]. Hence nanocrystalline materials can exhibit unusual physical, chemical, and mechanical properties with respect to conventional polycrystalline materials. The purpose of this paper is to investigate the structure of currents and fields in disordered nanocrystalline superconducting materials by the use of quasiclassical many body techniques. The Keldish Greens functions are used to calculate the current density of the system. Since the disorder and microstructure of these nanocrystalline materials are on a sufficiently short length scale as to increase both the density of pinning site and the upper critical field. (authors)

Structure characterization of nanocrystalline Ni–W alloys obtained by electrodeposition

Energy Technology Data Exchange (ETDEWEB)

Indyka, P., E-mail: paulina.indyka@uj.edu.pl [Jagiellonian University, Faculty of Chemistry, 3 Ingardena St., 30-059 Krakow (Poland); Beltowska-Lehman, E.; Tarkowski, L.; Bigos, A. [Institute of Metallurgy and Materials Science, Polish Academy of Sciences, 25 Reymonta St., 30-059 Krakow (Poland); García-Lecina, E. [Surface Finishing Department, CIDETEC-IK4 – Centre for Electrochemical Technologies, P° Miramón 196, 20009 Donostia-San Sebastián (Spain)

2014-03-25

Highlights: • Ni–W alloy coatings were electrodeposited from an aqueous electrolyte solutions. • The microstructure was studied with respect to electrodeposition process parameters. • We report optimal plating conditions for crack-free, nanocrystalline Ni–W coatings. • Crystalline Ni–W coatings exhibited the phase structure of an α-Ni(W) solid solution. • Coatings revealed tensile residual stresses and weakly pronounced 〈1 1 0〉 fiber texture. -- Abstract: Ni–W coatings of different tungsten content (2–50 wt%) were electrodeposited on a steel substrates from an aqueous complex sulfate–citrate galvanic baths, under controlled hydrodynamic conditions in a Rotating Disk Electrode (RDE) system. The optimum conditions for the electrodeposition of crack-free, homogeneous nanocrystalline Ni–W coatings were determined on the basis of the microstructure investigation results. The XRD structural characterizations of Ni–W alloy coatings obtained under different experimental conditions were complemented by SEM and TEM analysis. Results of the study revealed that the main factor influencing the microstructure formation of the Ni–W coatings is the chemical composition of an electrolyte solution. X-ray and electron diffraction patterns of all nanocrystalline Ni–W coatings revealed mainly the fcc phase structure of an α-Ni(W) solid solution with a lattice parameter increased along with tungsten content. The use of additives in the plating bath resulted in the formation of equiaxial/quasifibrous, nanocrystalline Ni–W grains of an average size of about 10 nm. The coatings were characterized by relatively high tensile residual stresses (500–1000 MPa), depending on the electrodeposition conditions. Ni–W coatings exhibited weakly pronounced fiber type 〈1 1 0〉 crystallographic texture, consistent with the symmetry of the plating process. Coatings of the highest tungsten content 50 wt% were found to be amorphous.

Proportion of influence phases anatase and rutile TiO{sub 2} in the photoluminescence 538 nm emission wavelength; Influencia da proporcao das fases anatasio e rutilo na fotoluminescincia do TiO{sub 2} em comprimento de onda de emissao de 538 nm

Energy Technology Data Exchange (ETDEWEB)

Araujo, D.S.; Diniz, V.C.S.; Araujo, P.M.A.G.; Costa, A.C.F.M., E-mail: dagobertoufcg@gmail.com [Universidade Federal de Campina Grande (UFCG), PB (Brazil); Viana, R.S.; Junior, S.A. [Universidade Federal de Pernambuco (UFPE), PE (Brazil)

2016-07-01

TiO2 is one of the most studied materials in the technology area, especially in photoluminescent applications involving catalysts from the biosensor. Therefore, we propose to obtain the Pechini method TiO{sub 2} molar ratio of citric acid/metal ions of 3:1 and 4:1 in order to investigate the influence of the proportion of anatase and rutile phases with the photoluminescence excitation wavelength of 538nm emission. The samples were characterized by X-ray diffraction, thermal analysis and excitation spectroscopy. The results indicate the presence of two phases, with a proportion of 78.99 and 83.58 and 21.01% of anatase and rutile 16.42%, density 3.82 and 3.70 g/cm{sup 3} and excitement in length wave emission 538nm with maximum intensity 91289.2 and 71880,7 cps for samples 3:1 and 4:1, respectively. Sample 3:1 with the highest percentage of rutile phase favored photoluminescence. (author)

Fluorine- and iron-modified hierarchical anatase microsphere photocatalyst for water cleaning: facile wet chemical synthesis and wavelength-sensitive photocatalytic reactivity.

Science.gov (United States)

Liu, Shaohong; Sun, Xudong; Li, Ji-Guang; Li, Xiaodong; Xiu, Zhimeng; Yang, He; Xue, Xiangxin

2010-03-16

High photocatalytic efficiency, easy recovery, and no biological toxicity are three key properties related to the practical application of anatase photocatalyst in water cleaning, but seem to be incompatible. Nanoparticles-constructed hierarchical anatase microspheres with high crystallinity and good dispersion prepared in this study via one-step solution processing at 90 degrees C under atmospheric pressure by using ammonium fluotitanate as the titanium source and urea as the precipitant can reconcile these three requirements. The hierarchical microspheres were found to grow via an aggregative mechanism, and contact recrystallization occurred at high additions of the FeCl(3) electrolyte into the reaction system. Simultaneous incorporation of fluorine and iron into the TiO(2) matrix was confirmed by combined analysis of X-ray diffraction, X-ray photoelectron spectroscopy, Fourier transform infrared spectroscopy, and UV-vis absorption spectroscopy. Surface structure and morphology changes of the microspheres induced by high-temperature annealing were clearly observed by field-emission scanning electron microscopy, especially for the phase-transformed particles. The original nanoparticles-constructed rough surfaces partially became smooth, resulting in a sharp drop in photocatalytic efficiency. Interestingly, iron loading has detrimental effects on the visible-light photocatalytic activity of both the as-prepared and the postannealed anatase microspheres but greatly enhances the photocatalytic activity of the as-prepared anatase microspheres under UV irradiation. No matter under UV or visible-light irradiation, the fluorine-loaded anatase microspheres and especially the postannealed ones show excellent photocatalytic performance. The underlying mechanism of fluorine and iron loading on the photocatalytic efficacy of the anatase microspheres was discussed in detail. Beyond photocatalytic applications, this kind of material is of great importance to the assembling of

Quantification of rutile in anatase by means of X-ray diffraction technique

International Nuclear Information System (INIS)

Macias B, L.R.; Palacios G, J.; Garcia C, R.M.

1999-01-01

In this work, making use of the X-ray diffraction technique, it was determined the quantification of two phases which are mixed in a crystalline sample of rutile and anatase also it is indicated the method to proceed in its evaluation, so that in the end it will be had as result of a semi-quantitative analysis of the phases that are found in the sample. The conclusion is that this method performs in samples which are presented as powders and since the different parameters with which they must be fulfilled then this should not be called quantitative but semi-quantitative and it has a margin of error in its evaluation. (Author)

Spectroscopic ellipsometry characterization of amorphous and crystalline TiO2 thin films grown by atomic layer deposition at different temperatures

Science.gov (United States)

Saha, D.; Ajimsha, R. S.; Rajiv, K.; Mukherjee, C.; Gupta, M.; Misra, P.; Kukreja, L. M.

2014-10-01

TiO2 thin films of widely different structural and morphological characteristics were grown on Si (1 0 0) substrates using Atomic Layer Deposition (ALD) by varying the substrate temperature (Ts) in a wide range (50 °C ≤ Ts ≤ 400 °C). Spectroscopic ellipsometry (SE) measurements were carried out to investigate the effect of growth temperature on the optical properties of the films. Measured SE data were analyzed by considering double layer optical model for the sample together with the single oscillator Tauc-Lorentz dispersion relation. Surface roughness was taken into consideration due to the columnar growths of grains in crystalline films. The refractive index was found to be increased from amorphous (Ts ≤ 150 °C) to the nanocrystalline films (2500 < Ts ≤ 400 °C). The pronounced surface roughening for the large-grained anatase film obtained at the amorphous to crystalline phase transformation temperature of 200 °C, impeded SE measurement. The dispersions of refractive indices below the interband absorption edge were found to be strongly correlated with the single oscillator Wemple-DiDomenico (WD) model. The increase in dispersion energy parameter in WD model from disordered amorphous to the more ordered nanocrystalline films was found to be associated with the increase in the film density and coordination number.

Characterization of nano-crystalline ZrO{sub 2} synthesized via reactive plasma processing

Energy Technology Data Exchange (ETDEWEB)

Jayakumar, S., E-mail: sjayakumar.physics@gmail.com [Research and Development Centre, Bharathiar University, Coimbatore 641 014 (India); Ananthapadmanabhan, P.V. [Laser and Plasma Technology Division, BARC, Trombay, Mumbai 400 085 (India); Perumal, K. [Department of Physics, Sri Ramakrishna Mission Vidyalaya College of Arts and Science, Coimbatore 641 020 India (India); Thiyagarajan, T.K. [Laser and Plasma Technology Division, BARC, Trombay, Mumbai 400 085 (India); Mishra, S.C. [Department of Metallurgical and Materials Engg, National Institute of Technology, Rourkela 769 008 (India); Su, L.T.; Tok, A.I.Y.; Guo, J. [School of Materials Science and Engg, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639 798 (Singapore)

2011-07-25

Highlights: > Direct conversion of micron-sized zirconium hydride powder to nanocrystalline ZrO{sub 2} powder. > The experimental approach uses reactive plasma processing technique. > The product has been characterized by various analytical tools to support the findings. - Abstract: Nano-crystalline ZrO{sub 2} powder has been synthesized via reactive plasma processing. The synthesized ZrO{sub 2} powders were characterized by X-ray diffraction (XRD), Raman spectroscopy, transmission electron microscopy (TEM) and FTIR spectroscopy. The synthesized powder consists of a mixture of tetragonal and monoclinic phases of zirconia. Average crystallite size calculated from the XRD pattern shows that particles with crystallite size 20 nm or less than 20 nm are in tetragonal phase, whereas particles greater than 20 nm are in the monoclinic phase. TEM results show that particles have spherical morphology with maximum percentage of particles distributed in a narrow size from about 15 nm to 30 nm.

Formation of ZnO Nanocrystalline via Facile Non-Hydrolytic Route

International Nuclear Information System (INIS)

Ooi, M. D. Johan; Aziz, A. Abdul; Abdullah, M. J.

2011-01-01

Zinc oxide (ZnO) nanocrystalline were synthesized via oxidizing Zn powder in non-aqueous solvent with addition of Diethanolamine (DEA) as a stabilizing agent. The influence of DEA on the structural, optical properties and the formation of ZnO nanocrystalline were studied. The synthesized ZnO were polycrystalline in structures where sample without the addition of DEA shows high intensity peak of (002) phase compared with sample in the presence of DEA which preferred to grow in (101) direction. SEM micrograph displays the morphology of ZnO nanocrystalline for both of the samples which shows micron size and non-uniform particles for sample without DEA whereas for sample with DEA exhibit smaller size (∼110 nm) and nearly spherical in shape despite of some agglomeration occurs at the interparticle separation. The photoluminescence (PL) spectra shows UV emission peak for both of the samples where sample with the absence of DEA possess lower intensity of UV emission peak compared to samples with DEA which demonstrate stronger intensity despite of having very weak visible secondary emission peak at 530 nm.

Grain size dependent electrical studies on nanocrystalline SnO2

International Nuclear Information System (INIS)

Bose, A. Chandra; Thangadurai, P.; Ramasamy, S.

2006-01-01

Nanocrystalline tin oxide (n-SnO 2 ) with different grain sizes were synthesized by chemical precipitation method. Size variation was achieved by changing the hydrolysis processing time. Structural phases of the nanocrystalline SnO 2 were identified by X-ray diffraction (XRD). The grain sizes of the prepared n-SnO 2 were found to be in the range 5-20 nm which were estimated using the Scherrer formula and they were confirmed by transmission electron microscopy (TEM) measurements. The electrical properties of nanocrystalline SnO 2 were studied using impedance spectroscopy. The impedance spectroscopy results showed that, in the temperature range between 25 and 650 deg. C, the conductivity has contributions from two different mechanisms, which are attributed to different conduction mechanisms in the grain and the grain boundary regions. This is because of the different relaxation times available for the conduction species in those regions. However, for the temperatures above 300 deg. C, there is no much difference between these two different relaxation times. The Arrhenius plots gave the activation energies for the conduction process in all the samples

Host-Sensitized and Tunable Luminescence of GdNbO4:Ln3+ (Ln3+ = Eu3+/Tb3+/Tm3+) Nanocrystalline Phosphors with Abundant Color.

Science.gov (United States)

Liu, Xiaoming; Chen, Chen; Li, Shuailong; Dai, Yuhua; Guo, Huiqin; Tang, Xinghua; Xie, Yu; Yan, Liushui

2016-10-17

Up to now, GdNbO 4 has always been regarded as an essentially inert material in the visible region with excitation of UV light and electron beams. Nevertheless, here we demonstrate a new recreating blue emission of GdNbO 4 nanocrystalline phosphors with a quantum efficiency of 41.6% and host sensitized luminescence in GdNbO 4 :Ln 3+ (Ln 3+ = Eu 3+ /Tb 3+ /Tm 3+ ) nanocrystalline phosphors with abundant color in response to UV light and electron beams. The GdNbO 4 and GdNbO 4 :Ln 3+ (Ln 3+ = Eu 3+ /Tb 3+ /Tm 3+ ) nanocrystalline phosphors were synthesized by a Pechini-type sol-gel process. With excitation of UV light and low-voltage electron beams, the obtained GdNbO 4 nanocrystalline phosphor presents a strong blue luminescence from 280 to 650 nm centered around 440 nm, and the GdNbO 4 :Ln 3+ nanocrystalline phosphors show both host emission and respective emission lines derived from the characterize f-f transitions of the doping Eu 3+ , Tb 3+ , and Tm 3+ ions. The luminescence color of GdNbO 4 :Ln 3+ nanocrystalline phosphors can be tuned from blue to green, red, blue-green, orange, pinkish, white, etc. by varying the doping species, concentration, and relative ratio of the codoping rare earth ions in GdNbO 4 host lattice. A single-phase white-light-emission has been realized in Eu 3+ /Tb 3+ /Tm 3+ triply doped GdNbO 4 nanocrystalline phosphors. The luminescence properties and mechanisms of GdNbO 4 and GdNbO 4 :Ln 3+ (Ln 3+ = Eu 3+ /Tb 3+ /Tm 3+ ) are updated.

Enhancement of the power factor in two-phase silicon-boron nanocrystalline alloys

Energy Technology Data Exchange (ETDEWEB)

Narducci, Dario; Lorenzi, Bruno [Department of Materials Science, University of Milano Bicocca, Milan (Italy); Zianni, Xanthippe [Department of Aircraft Technologies, Technological Educational Institution of Sterea Ellada, Psachna (Greece); Department of Microelectronics, IAMPPNM, NCSR Demokritos, Athens (Greece); Neophytou, Neophytos [Institute for Microelectronics, TUV, Vienna (Austria); School of Engineering, University of Warwick, Coventry (United Kingdom); Frabboni, Stefano [Department of FIM, University of Modena and Reggio Emilia, Modena (Italy); CNR-Institute of Nanoscience-S3, Modena (Italy); Gazzadi, Gian Carlo [CNR-Institute of Nanoscience-S3, Modena (Italy); Roncaglia, Alberto; Suriano, Francesco [IMM-CNR, Bologna (Italy)

2014-06-15

In previous publications it was shown that the precipitation of silicon boride around grain boundaries may lead to an increase of the power factor in nanocrystalline silicon. Such an effect was further explained by computational analyses showing that the formation of an interphase at the grain boundaries along with high boron densities can actually lead to a concurrent increase of the electrical conductivity σ and of the Seebeck coefficient S. In this communication we report recent evidence of the key elements ruling such an unexpected effect. Nanocrystalline silicon films deposited onto a variety of substrates were doped to nominal boron densities in excess of 10{sup 20} cm{sup -3} and were annealed up to 1000 C to promote boride precipitation. Thermoelectric properties were measured and compared with their microstructure. A concurrent increase of σ and S with the carrier density was found only upon formation of an interphase. Its dependency on the film microstructure and on the deposition and processing conditions will be discussed. (copyright 2014 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Electrochemical passivation behaviour of nanocrystalline Fe 80 Si ...

Indian Academy of Sciences (India)

Passivation behaviour of nanocrystalline coating (Fe80Si20) obtained by in situ mechanical alloying route is studied and compared with that of the commercial pure iron and cast Fe80Si20 in sodium borate buffer solution at two different pH values (7.7 and 8.4). The coating reveals single passivation at a pH of 7.7 and ...

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.

Structural evolution in nanocrystalline Cu obtained by high-energy mechanical milling: Phases formation of copper oxides

International Nuclear Information System (INIS)

Khitouni, Mohamed; Daly, Rakia; Mhadhbi, Mohsen; Kolsi, Abdelwaheb

2009-01-01

Nanocrystalline copper with mean crystallite size of 18 nm was synthesized by using high-energy mechanical milling. The structural and morphological changes during mechanical milling especially, the formation of CuO and Cu 2 O phases were investigated by X-ray diffraction (XRD), scanning electron microscopy (SEM) and Fourier transform infrared spectroscopy in transmittance mode (FTIR). Mechanical milling of Cu results in a continuous decrease in the Cu means crystallite size and an increase in microstrain. Moreover, milling of Cu, in air synthetic, results in partial oxidation to Cu 2 O and CuO. Prolonged milling supports the formation of CuO oxide. SEM results show that flattened Cu flakes were laid and welded on each other and tend to form a matrix of randomly welded thin layers of highly deformed particles.

Anatase nanoparticles from hydrated titania gels

Czech Academy of Sciences Publication Activity Database

Pulišová, Petra; Boháček, Jaroslav; Šubrt, Jan; Szatmáry, Lórant; Bezdička, Petr; Murafa, Nataliya

2011-01-01

Roč. 161, č. 1 (2011), s. 84-90 ISSN 0920-5861 R&D Projects: GA MŠk 1M0577 Institutional research plan: CEZ:AV0Z40320502 Keywords : anatase particles Subject RIV: CA - Inorganic Chemistry Impact factor: 3.407, year: 2011

Nanocrystalline diamond films for biomedical applications

DEFF Research Database (Denmark)

Pennisi, Cristian Pablo; Alcaide, Maria

2014-01-01

Nanocrystalline diamond films, which comprise the so called nanocrystalline diamond (NCD) and ultrananocrystalline diamond (UNCD), represent a class of biomaterials possessing outstanding mechanical, tribological, and electrical properties, which include high surface smoothness, high corrosion...... performance of nanocrystalline diamond films is reviewed from an application-specific perspective, covering topics such as enhancement of cellular adhesion, anti-fouling coatings, non-thrombogenic surfaces, micropatterning of cells and proteins, and immobilization of biomolecules for bioassays. In order...

Strength and structure of nanocrystalline titanium

International Nuclear Information System (INIS)

Noskova, N.I.; Pereturina, I.A.; Elkina, O.A.; Stolyarov, V.V.

2004-01-01

Investigation results on strength and plasticity of nanocrystalline titanium VT-1 are presented. Specific features of plastic deformation on tension of this material specimens in an electron microscope column are studied in situ. It is shown that nanocrystalline titanium strength and plasticity at room temperature are dependent on the structure and nanograin size. It is revealed that deformation processes in nanocrystalline titanium are characterized by activation of deformation rotational modes and microtwinning [ru

Mechanochemical synthesis of nanocrystalline Fe and Fe–B magnetic alloys

Energy Technology Data Exchange (ETDEWEB)

Mohammadi, Majid; Ghasemi, Ali, E-mail: ali13912001@yahoo.com; Tavoosi, Majid

2016-12-01

Mechanochemical synthesis and magnetic characterization of nanocrystalline Fe and Fe–B magnetic alloys was the goal of this study. In this regard, different Fe{sub 2}O{sub 3}–B{sub 2}O{sub 3} powder mixtures with sufficient amount of CaH{sub 2} were milled in a planetary ball mill in order to produce nanocrystalline Fe, Fe{sub 95}B{sub 5} and Fe{sub 85}B{sub 15} alloys. The produced samples were characterized using X-ray diffraction (XRD), differential scanning calorimetry (DSC), scanning electron microscopy (SEM) and vibrating sample magnetometer (VSM). The results showed that, nanocrystalline Fe, Fe{sub 95}B{sub 5} and Fe{sub 85}B{sub 15} alloys can be successfully synthesized by the reduction reaction of Fe{sub 2}O{sub 3} and B{sub 2}O{sub 3} with CaH{sub 2} during mechanical alloying. The structure of produced Fe{sub 95}B{sub 5} and Fe{sub 85}B{sub 15} alloys was a combination of Fe and Fe{sub 2}B phases with average crystallite sizes of about 15 and 10 nm, respectively. The produced nanocrystalline alloys exhibited soft magnetic properties with the coercivity and saturation of magnetization in the range of 170–240 Oe and 9–28 emu/g, respectively. Increasing the boron content has a destructive effect on soft magnetic properties of Fe–B alloys. - Highlights: • We study the mechanochemical synthesis of nanocrystalline boron, Fe and Fe–B alloys. • We study the reduction reaction of B{sub 2}O{sub 3}–CaH{sub 2} during milling. • We study the reduction reaction of Fe{sub 2}O{sub 3}–CaH{sub 2} during milling. • We study the reduction reaction of Fe{sub 2}O{sub 3}–B{sub 2}O{sub 3}–CaH{sub 2} during milling. • We study the effect of B on magnetic properties of nanocrystalline Fe–B alloys.

Hydrothermal synthesis of highly water-dispersible anatase nanocrystals from transparent aqueous sols of titanate colloids

International Nuclear Information System (INIS)

Ban, Takayuki; Tanaka, Yusuke; Ohya, Yutaka

2011-01-01

Transparent colloidal aqueous solutions of anatase nanocrystals were hydrothermally synthesized from aqueous transparent sols with tetramethylammonium titanate colloids, the surfaces of which were modified with citric acid, by structural conversion of the titanate to anatase. This modification hindered coalescence of the titanate colloids during the hydrothermal synthesis. Although the amount of citric acid adsorbed on the colloids was reduced during hydrothermal treatment, a small amount of citric acid was adsorbed on the resulting anatase nanocrystals. Moreover, the use of the titanate colloids as a precursor was compared with the use of a citrato Ti complex, tetramethylammonium citratotitanate. The hydrothermal treatment of the transparent aqueous solutions of the Ti complex yielded opaque solutions with large anatase colloids, suggesting that the titanate colloids were useful for preparing transparent anatase colloidal solutions. Because the shape and size of resulting colloids may be dependent on the size and shape of starting colloids, the use of titanate colloids as a precursor may make it easy to control size and shape of anatase colloids.

Swift heavy ion irradiation induced phase transformation in undoped and niobium doped titanium dioxide composite thin films

Energy Technology Data Exchange (ETDEWEB)

Gautam, Subodh K., E-mail: subodhkgtm@gmail.com [Inter University Accelerator Centre, Aruna Asaf Ali Marg, New Delhi 110 067 (India); Chettah, Abdelhak [LGMM Laboratory, Université 20 Août 1955-Skikda, BP 26, 21000 Skikda (Algeria); Singh, R.G. [Department of Physics, Bhagini Nivedita College, Delhi University, Delhi 110043 (India); Ojha, Sunil; Singh, Fouran [Inter University Accelerator Centre, Aruna Asaf Ali Marg, New Delhi 110 067 (India)

2016-07-15

Study reports the effect of swift heavy ion (SHI) irradiation induced phase transformation in undoped and Niobium doped anatase TiO{sub 2} composite thin films. Investigations were carried out at different densities of electronic excitations (EEs) using 120 MeV Ag and 130 MeV Ni ions irradiations. Films were initially annealed at 900 °C and results revealed that undoped films were highly stable in anatase phase, while the Nb doped films showed the composite nature with the weak presence of Niobium penta-oxide (Nb{sub 2}O{sub 5}) phase. The effect at low density of EEs in undoped film show partial anatase to rutile phase transformation; however doped film shows only further growth of Nb{sub 2}O{sub 5} phase beside the anatase to rutile phase transformation. At higher density of EEs induced by Ag ions, registered continuous ion track of ∼3 nm in lattice which leads to nano-crystallization followed by decomposition/amorphization of rutile TiO{sub 2} and Nb{sub 2}O{sub 5} phases in undoped and doped films, respectively. However, Ni ions are only induced discontinuous sequence of ion tracks with creation of damage and disorder and do not show amorphization in the lattice. The in-elastic thermal spike calculations were carried out for anatase TiO{sub 2} phase to understand the effect of EEs on anatase to rutile phase transformation followed by amorphization in NTO films in terms of continuous and discontinuous track formation by SHI irradiation.

Effect of silver on the phase transition and wettability of titanium oxide films

Science.gov (United States)

Mosquera, Adolfo A.; Albella, Jose M.; Navarro, Violeta; Bhattacharyya, Debabrata; Endrino, Jose L.

2016-01-01

The effect of silver on the phase transition and microstructure of titanium oxide films grown by pulsed cathodic arc had been investigated by XRD, SEM and Raman spectroscopy. Following successive thermal annealing up to 1000 °C, microstructural analysis of annealed Ag-TiO2 films reveals that the incorporation of Ag nanoparticles strongly affects the transition temperature from the initial metastable amorphous phase to anatase and stable rutile phase. An increase of silver content into TiO2 matrix inhibits the amorphous to anatase phase transition, raising its temperature boundary and, simultaneously reduces the transition temperature to promote rutile structure at lower value of 600 °C. The results are interpreted in terms of the steric effects produced by agglomeration of Ag atoms into larger clusters following annealing which hinders diffusion of Ti and O ions for anatase formation and constrains the volume available for the anatase lattice, thus disrupting its structure to form rutile phase. The effect of silver on the optical and wetting properties of TiO2 was evaluated to demonstrate its improved photocatalytic performance. PMID:27571937

Micromechanical modelling of nanocrystalline and ultrafine grained metals: A short overview

DEFF Research Database (Denmark)

Mishnaevsky, Leon; Levashov, Evgeny

2015-01-01

An overview of micromechanical models of strength and deformation behaviour of nanostructured and ultrafine grained metallic materials is presented. Composite models of nanomaterials, polycrystal plasticity based models, grain boundary sliding, the effect of non-equilibrium grain boundaries...... and nanoscale properties are discussed and compared. The examples of incorporation of peculiar nanocrystalline effects (like large content of amorphous or semi-amorphous grain boundary phase, partial dislocation GB emission/glide/GB absorption based deformation mechanism, diffusion deformation, etc.......) into the continuum mechanical approach are given. The possibilities of using micromechanical models to explore the ways of the improving the properties of nanocrystalline materials by modifying their structures (e.g., dispersion strengthening, creating non-equilibrium grain boundaries, varying the grain size...

Crystallographic and magnetic properties of nanocrystalline perovskite structure SmFeO3 orthoferrite

Science.gov (United States)

Kumar, Ashwini; Shen, Jingdong; Zhao, Huihui; Zhengjian, Qi; Li, Qi

2018-05-01

In this article, we present the structural and magnetic studies of pristine SmFeO3 nanocrystalline ceramic samples as sintered at temperature 850 °C and 1000 °C. X-ray powder diffraction data confirm the existence of single-phase nature with orthorhombic (Pbnm) structure of the samples. The SEM image reveals spherical particles with a size range of 60-130 nm for SFO-850 and SFO-1000 samples. X-ray absorption spectroscopy studies on Fe L3,2 and O K-edges of SmFeO3 sample revealed the homo-valence state of Fe in these materials. From magnetization studies it has been observed the materials exhibit ferromagnetic and antiferromagnetic (canted spin structure) sub-lattices, which results strong magnetic anisotropy in the system.

Nanocrystalline FeSiBNbCu alloys: Differences between mechanical and thermal crystallization process in amorphous precursors

International Nuclear Information System (INIS)

Lopez, M.; Marin, P.; Agudo, P.; Carabias, I.; Venta, J. de la; Hernando, A.

2007-01-01

Nanocrystalline magnetic particles obtained by high energy ball milling of FeSiBNbCu alloy were prepared from rapidly quenched ribbons as a starting material. Structural characterization was made by using X-ray diffraction (XRD), differential scanning calorimetry (DSC), atomic force microscopy (AFM) and Moessbauer spectroscopy. The structural changes observed in this amorphous material suggest that nanocrystallization process takes place in a different way from the one induced by thermal treatments. Our different studies reveals that after short grinding times (up to 40 h) the material is composed by a two phase system of very fine nanocrystals embedded in a residual amorphous phase, while for largest periods of milling (from 140 h) the sample consists of a very fine nanocrystalline phase with a large fraction of grain boundary

Sol–gel synthesis of highly TiO2 aerogel photocatalyst via high temperature supercritical drying

Directory of Open Access Journals (Sweden)

Rebah Moussaoui

2017-09-01

Full Text Available Nanocrystalline powders of TiO2 xerogel and aerogel were prepared by using acid-modified sol–gel approach. For TiO2 aerogel material (TA, the solvent was high temperature supercritically extracted at 300 °C and 100 bars. However, the TiO2 xerogel material (TX was dried at 200 °C and ambient pressure. The effects of the drying processes on the crystalline structure, phase transformation and grain growth were determined by Raman spectroscopy, SAED and X-ray diffraction (XRD analyses using Rietveld refinement method. The TiO2 aerogel was composed of anatase crystalline structure. The TiO2 xerogel material was composed of anatase, brookite and small amount of amorphous phase with anatase as dominant phase. The TX sample still contains a relatively high concentration of carbon than that of TA, indicating the amorphous character of TiO2 xerogel. These materials were applied as catalyst for the degradation of indigo carmine in aqueous medium. Photo-degradation ability of TA and TX was compared to the TiO2 commercial Degussa P25. The photo-catalytic results showed that the degradation efficiency was in the order TA > P25 > TX. The photo-degradation of indigo carmine followed pseudo first order reaction kinetics.

Grain boundaries and mechanical properties of nanocrystalline diamond films.

Energy Technology Data Exchange (ETDEWEB)

Busmann, H.-G.; Pageler, A.; Gruen, D. M.

1999-08-06

Phase-pure nanocrystalline diamond thin films grown from plasmas of a hydrogen-poor carbon argon gas mixture have been analyzed regarding their hardness and elastic moduli by means of a microindentor and a scanning acoustic microscope.The films are superhard and the moduli rival single crystal diamond. In addition, Raman spectroscopy with an excitation wavelength of 1064 nm shows a peak at 1438 l/cm and no peak above 1500 l/cm, and X-ray photoelectron spectroscopy a shake-up loss at 4.2 eV. This gives strong evidence for the existence of solitary double bonds in the films. The hardness and elasticity of the films then are explained by the assumption, that the solitary double bonds interconnect the nanocrystals in the films, leading to an intergrain boundary adhesion of similar strength as the intragrain diamond cohesion. The results are in good agreement with recent simulations of high-energy grain boundaries.

Investigation of nanocrystalline thin cobalt films thermally evaporated on Si(100) substrates

Energy Technology Data Exchange (ETDEWEB)

Kozłowski, W., E-mail: wkozl@std2.phys.uni.lodz.pl [Department of Solid State Physics, Faculty of Physics and Applied Informatics, University of Łódź, Pomorska 149/153, 90-236 Łódź (Poland); Balcerski, J.; Szmaja, W. [Department of Solid State Physics, Faculty of Physics and Applied Informatics, University of Łódź, Pomorska 149/153, 90-236 Łódź (Poland); Piwoński, I. [Department of Materials Technology and Chemistry, Faculty of Chemistry, University of Łódź, Pomorska 163, 90-236 Łódź (Poland); Batory, D. [Institute of Materials Science and Engineering, Łódź University of Technology, Stefanowskiego 1/15, 90-924 Łódź (Poland); Miękoś, E. [Department of Inorganic and Analytical Chemistry, Faculty of Chemistry, University of Łódź, Tamka 12, 91-403 Łódź (Poland); and others

2017-03-15

We have made a quantitative study of the morphological and magnetic domain structures of 100 nm thick nanocrystalline cobalt films thermally evaporated on naturally oxidized Si(100) substrates. The morphological structure is composed of densely packed grains with the average grain size (35.6±0.8) nm. The grains exhibit no geometric alignment and no preferred elongation on the film surface. In the direction perpendicular to the film surface, the grains are aligned in columns. The films crystallize mainly in the hexagonal close-packed phase of cobalt and possess a crystallographic texture with the hexagonal axis perpendicular to the film surface. The magnetic domain structure consists of domains forming a maze stripe pattern with the average domain size (102±6) nm. The domains have their magnetizations oriented almost perpendicularly to the film surface. The domain wall energy, the domain wall thickness and the critical diameter for single-domain particle were determined. - Highlights: • 100 nm thick nanocrystalline cobalt films on Si(100) were studied quantitatively. • The grains are densely packed and possess the average size (35.6±0.8) nm. • The films have a texture with the hexagonal axis perpendicular to the film surface. • The magnetic domains form a maze stripe pattern with the average size (102±6) nm. • The domains are magnetized almost perpendicularly to the film surface.

Neutron scattering study of the magnetism in a nanocrystalline/amorphous material

International Nuclear Information System (INIS)

Rosov, N.

1995-01-01

Recently developed nanocrystalline magnetic systems are of considerable interest fundamentally as well as technologically. One such material is Fe 73.5 B 9 Si 13.5 Cu 1 Nb 3 , which can be produced by heat treating the amorphous precursor. This forms a noncrystalline phase with typical dimension of 350 angstrom as determined by neutron diffraction. Small angle neutron scattering (SANS) has been employed to investigate the properties of the nanocrystallized material over the temperature range from 10 K to 725 K, a regime where no significant structural changes are expected to occur. In zero field and low temperature (10 K) the authors obtained an isotropic scattering pattern. The application of a relatively modest field to sweep out the domains changed the scattering to a butterfly wings pattern typical of patterns dominated by magnetic elastic intensity. Up to 450 K this pattern changed only modestly, while for substantially higher temperatures the ratio of inelastic to elastic scattering increased rapidly as the magnetic phase transition of the intergranular component (≅ 575 K) was approached. Triple axis inelastic measurements showed that the majority of the magnetic inelastic scattering was from the nanocrystalline phase

Neutron scattering study of the magnetism in a nanocrystalline/amorphous material

Energy Technology Data Exchange (ETDEWEB)

Rosov, N. [National Inst. of Standards and Technology, Gaithersburg, MD (United States). Reactor Radiation Div.; Lynn, J.W. [National Inst. of Standards and Technology, Gaithersburg, MD (United States). Reactor Radiation Div.]|[Univ. of Maryland, College Park, MD (United States). Dept. of Physics; Fish, G.E. [Allied Signal Inc., Morristown, NJ (United States)

1995-12-31

Recently developed nanocrystalline magnetic systems are of considerable interest fundamentally as well as technologically. One such material is Fe{sub 73.5}B{sub 9}Si{sub 13.5}Cu{sub 1}Nb{sub 3}, which can be produced by heat treating the amorphous precursor. This forms a noncrystalline phase with typical dimension of 350 {angstrom} as determined by neutron diffraction. Small angle neutron scattering (SANS) has been employed to investigate the properties of the nanocrystallized material over the temperature range from 10 K to 725 K, a regime where no significant structural changes are expected to occur. In zero field and low temperature (10 K) the authors obtained an isotropic scattering pattern. The application of a relatively modest field to sweep out the domains changed the scattering to a butterfly wings pattern typical of patterns dominated by magnetic elastic intensity. Up to 450 K this pattern changed only modestly, while for substantially higher temperatures the ratio of inelastic to elastic scattering increased rapidly as the magnetic phase transition of the intergranular component ({approx_equal} 575 K) was approached. Triple axis inelastic measurements showed that the majority of the magnetic inelastic scattering was from the nanocrystalline phase.

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

Nanocrystalline zinc oxide for the decontamination of sarin

Energy Technology Data Exchange (ETDEWEB)

Mahato, T.H. [Defense R and D Establishment, Jhansi Road, 474002, Gwalior, MP (India); Prasad, G.K., E-mail: gkprasad@lycos.com [Defense R and D Establishment, Jhansi Road, 474002, Gwalior, MP (India); Singh, Beer; Acharya, J.; Srivastava, A.R.; Vijayaraghavan, R. [Defense R and D Establishment, Jhansi Road, 474002, Gwalior, MP (India)

2009-06-15

Nanocrystalline zinc oxide materials were prepared by sol-gel method and were characterized by X-ray diffraction, scanning electron microscopy, thermogravimetry, nitrogen adsorption and infrared spectroscopy techniques. The data confirmed the formation of zinc oxide materials of zincite phase with an average crystallite size of {approx}55 nm. Obtained material was tested as destructive adsorbent for the decontamination of sarin and the reaction was followed by GC-NPD and GC-MS techniques. The reaction products were characterized by GC-MS and the data explored the role of hydrolysis reaction in the detoxification of sarin. Sarin was hydrolyzed to form surface bound non-toxic phosphonate on the surface of nano-zinc oxide. The data also revealed the values of rate constant and half-life to be 4.12 h{sup -1} and 0.16 h in the initial stages of the reaction and 0.361 h{sup -1} and 1.9 h at the final stages of the reaction for the decontamination reaction on nanocrystalline ZnO.

Nanocrystalline zinc oxide for the decontamination of sarin

International Nuclear Information System (INIS)

Mahato, T.H.; Prasad, G.K.; Singh, Beer; Acharya, J.; Srivastava, A.R.; Vijayaraghavan, R.

2009-01-01

Nanocrystalline zinc oxide materials were prepared by sol-gel method and were characterized by X-ray diffraction, scanning electron microscopy, thermogravimetry, nitrogen adsorption and infrared spectroscopy techniques. The data confirmed the formation of zinc oxide materials of zincite phase with an average crystallite size of ∼55 nm. Obtained material was tested as destructive adsorbent for the decontamination of sarin and the reaction was followed by GC-NPD and GC-MS techniques. The reaction products were characterized by GC-MS and the data explored the role of hydrolysis reaction in the detoxification of sarin. Sarin was hydrolyzed to form surface bound non-toxic phosphonate on the surface of nano-zinc oxide. The data also revealed the values of rate constant and half-life to be 4.12 h -1 and 0.16 h in the initial stages of the reaction and 0.361 h -1 and 1.9 h at the final stages of the reaction for the decontamination reaction on nanocrystalline ZnO.

Extreme biomimetic approach for synthesis of nanocrystalline chitin-(Ti,Zr)O{sub 2} multiphase composites

Energy Technology Data Exchange (ETDEWEB)

Wysokowski, Marcin, E-mail: Marcin.Wysokowski@put.poznan.pl [Poznan University of Technology, Faculty of Chemical Technology, Institute of Chemical Technology and Engineering, Berdychowo 4, 60965, Poznan (Poland); Motylenko, Mykhaylo; Rafaja, David [TU Bergakademie Freiberg, Institute of Materials Science, Gustav-Zeuner-Str. 5, 09596, Freiberg (Germany); Koltsov, Iwona [Laboratory of Nanostructures, Institute of High Pressure Physics of The Polish Academy of Sciences, Sokołowska 29/37, 01-142, Warsaw (Poland); Stöcker, Hartmut [TU Bergakademie Freiberg, Institute of Experimental Physics, Leipziger str. 23, 09596, Freiberg (Germany); Szalaty, Tadeusz J. [Poznan University of Technology, Faculty of Chemical Technology, Institute of Chemical Technology and Engineering, Berdychowo 4, 60965, Poznan (Poland); Bazhenov, Vasilii V., E-mail: vasily.bazhenov@gmail.com [TU Bergakademie Freiberg, Institute of Experimental Physics, Leipziger str. 23, 09596, Freiberg (Germany); Stelling, Allison L. [Duke University, Department of Biochemistry, Durham, NC, 27708 (United States); Beyer, Jan; Heitmann, Johannes [TU Bergakademie Freiberg, Institute of Applied Physics, Leipziger str. 23, 09596, Freiberg (Germany); Jesionowski, Teofil [Poznan University of Technology, Faculty of Chemical Technology, Institute of Chemical Technology and Engineering, Berdychowo 4, 60965, Poznan (Poland); Petovic, Slavica; Đurović, Mirko [Institute of Marine Biology, Dobrota, 85330, Kotor (Montenegro); Ehrlich, Hermann [TU Bergakademie Freiberg, Institute of Experimental Physics, Leipziger str. 23, 09596, Freiberg (Germany)

2017-02-15

This work presents an extreme biomimetics route for the modification of the surface of fibre-based scaffolds of poriferan origin by the creation of novel nanostructured multiphase biocomposites. The exceptional thermal stability of the nanostructured sponge chitin allowed for the formation of a novel nanocrystalline chitin-(Ti,Zr)O{sub 2} composite with a well-defined nanoscale structure under hydrothermal conditions (160 °C). Using a combination of experimental techniques, including X-ray diffraction, scanning electron microscopy, high resolution transmission electron microscopy, EDX mapping and near-edge electron loss spectroscopy (ELNES) in TEM and thermogravimetry/differential scanning calorimetry coupled with mass spectrometry; we showed that this bioorganic scaffold facilitates selective crystallization of TiO{sub 2}, predominantly in form of anatase, over the monoclinic zirconium dioxide (baddeleyite). The control of the crystal morphology through the chitin templates is also demonstrated. Obtained samples were characterized in terms of their photoluminescent properties and photocatalytic performance. These data confirm the high potential of the extreme biomimetics approach for developing a new generation of multiphase biopolymer-based nanostructured materials. - Highlights: • Extreme biomimetically prepared chitin-(Ti,Zr)O{sub 2} and (Ti,Zr)O{sub 2} composites. • Chitin-(Ti,Zr)O{sub 2} composite contains anatase as the most inorganic component. • The mean crystallite size is (31.7 ± 0.3) nm for chitin-(Ti,Zr)O{sub 2} composite. • The mean crystallite size is (2.4 ± 0.5) nm for (Ti,Zr)O{sub 2} composite. • (Ti,Zr)O{sub 2} composite is 2 times more effective photocatalyst than chitin-(Ti,Zr)O{sub 2}.

Solid state consolidation nanocrystalline copper-tungsten using cold spray

Energy Technology Data Exchange (ETDEWEB)

Hall, Aaron Christopher [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Sarobol, Pylin [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Argibay, Nicolas [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Clark, Blythe [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Diantonio, Christopher [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2015-09-01

It is well known that nanostructured metals can exhibit significantly improved properties compared to metals with conventional grain size. Unfortunately, nanocrystalline metals typically are not thermodynamically stable and exhibit rapid grain growth at moderate temperatures. This severely limits their processing and use, making them impractical for most engineering applications. Recent work has shown that a number of thermodynamically stable nanocrystalline metal alloys exist. These alloys have been prepared as powders using severe plastic deformation (e.g. ball milling) processes. Consolidation of these powders without compromise of their nanocrystalline microstructure is a critical step to enabling their use as engineering materials. We demonstrate solid-state consolidation of ball milled copper-tantalum nanocrystalline metal powder using cold spray. Unfortunately, the nanocrystalline copper-tantalum powder that was consolidated did not contain the thermodynamically stable copper-tantalum nanostructure. Nevertheless, this does this demonstrates a pathway to preparation of bulk thermodynamically stable nanocrystalline copper-tantalum. Furthermore, it demonstrates a pathway to additive manufacturing (3D printing) of nanocrystalline copper-tantalum. Additive manufacturing of thermodynamically stable nanocrystalline metals is attractive because it enables maximum flexibility and efficiency in the use of these unique materials.

Coercivities of hot-deformed magnets processed from amorphous and nanocrystalline precursors

International Nuclear Information System (INIS)

Tang, Xin; Sepehri-Amin, H.; Ohkubo, T.; Hioki, K.; Hattori, A.; Hono, K.

2017-01-01

Hot-deformed magnets have been processed from amorphous and nanocrystalline precursors and their hard magnetic properties and microstructures have been investigated in order to explore the optimum process route. The hot-deformed magnets processed from an amorphous precursor exhibited the coercivity of 1.40 T that is higher than that processed from nanocrystalline powder, ∼1.28 T. The average grain size was larger in the magnets processed from amorphous precursor. Detailed microstructure analyses by aberration corrected scanning transmission electron microscopy revealed that the Nd + Pr concentrations in the intergranular phases were higher in the hot-deformed magnet processed from the amorphous precursor, which is considered to lead to the enhanced coercivity due to a stronger pinning force against magnetic domain wall motion.

Formation and structure of nanocrystalline Al-Mn-Ni-Cu alloys

International Nuclear Information System (INIS)

Latuch, J.; Krasnowski, M.; Ciesielska, B.

2002-01-01

This paper reports the results of the short investigation on the effect of Cu additions upon the nanocrystallization behaviour of an Al-Mn-Ni alloy. 2 at.% Cu added to the base alloy of Al 85 Mn 10 Ni 5 alloy by substitution for Mn(mischmetal). The control of cooling rate did not cause the formation of nanocrystals of fcc-Al phase. The nanocrystalline structure fcc-Al + amorphous phase in quarternary alloy was obtained by isothermal annealing and continuous heating method, but the last technique is more effective. The volume fraction, lattice parameter, and size of Al-phase were calculated. (author)

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

Directory of Open Access Journals (Sweden)

Shah Athar Ali

2016-01-01

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

Anatase phase stability and doping concentration dependent refractivity in codoped transparent conducting TiO{sub 2} films

Energy Technology Data Exchange (ETDEWEB)

Chen, T L [Kanagawa Academy of Science and Technology (KAST), Kawasaki 213-0012 (Japan); Furubayashi, Y [Kanagawa Academy of Science and Technology (KAST), Kawasaki 213-0012 (Japan); Hirose, Y [Kanagawa Academy of Science and Technology (KAST), Kawasaki 213-0012 (Japan); Hitosugi, T [Kanagawa Academy of Science and Technology (KAST), Kawasaki 213-0012 (Japan); Shimada, T [Kanagawa Academy of Science and Technology (KAST), Kawasaki 213-0012 (Japan); Hasegawa, T [Kanagawa Academy of Science and Technology (KAST), Kawasaki 213-0012 (Japan)

2007-10-07

Nb{sub 0.06}Sn{sub x}Ti{sub 0.94-x}O{sub 2} (x {<=} 0.3) thin films were grown by a pulsed-laser deposition method with varying Sn concentration. Through a combinatorial technique, we find that Sn concentration can reach a maximum of about x = 0.3 while maintaining the stable anatase phase and epitaxy. A doping concentration dependence of the refractivity is revealed, in which refractivity reduction at a wavelength of {lambda} = 500 nm is estimated to be 12.4% for Nb{sub 0.06}Sn{sub 0.3} Ti{sub 0.64}O{sub 2} thin film. Sn doping induced band-gap blue shift can be contributed to the mixing of extended Sn 5s orbitals with the conduction band of TiO{sub 2}. Low resistivity on the order of 10{sup -4} {omega} cm at room temperature and high internal transmittance of more than 95% in the visible light region are exhibited for Nb{sub 0.06}Sn{sub x} Ti{sub 0.94-x}O{sub 2} thin films (x {<=} 0.2). Optical and transport analyses demonstrate that doping Sn into Nb{sub 0.06} Ti{sub 0.94}O{sub 2} can reduce the refractivity while maintaining low resistivity and high transparency.

Soft-Template Synthesis of Mesoporous Anatase TiO₂ Nanospheres and Its Enhanced Photoactivity.

Science.gov (United States)

Li, Xiaojia; Zou, Mingming; Wang, Yang

2017-11-10

Highly crystalline mesoporous anatase TiO₂ nanospheres with high surface area (higher than P25 and anatase TiO₂) are prepared by a soft-template method. Despite the high specific surface area, these samples have three times lower equilibrium adsorption (<2%) than Degussa P25. The rate constant of the mesoporous anatase TiO₂ (0.024 min -1 ) reported here is 364% higher than that of P25 (0.0066 min -1 ), for the same catalytic loading. The results of oxidation-extraction photometry using several reactive oxygen species (ROS) scavengers indicated that mesoporous anatase TiO₂ generates more ROS than P25 under UV-light irradiation. This significant improvement in the photocatalytic performance of mesoporous spherical TiO₂ arises from the following synergistic effects in the reported sample: (i) high surface area; (ii) improved crystallinity; (iii) narrow pore wall thicknesses (ensuring the rapid migration of photogenerated carriers to the surface of the material); and (iv) greater ROS generation under UV-light.

Influence of the gas phase composition on nanocrystalline diamond films prepared by MWCVD

Czech Academy of Sciences Publication Activity Database

Popov, C.; Jelínek, Miroslav; Boycheva, S.; Vorlíček, Vladimír; Kulisch, W.

2005-01-01

Roč. 23, - (2005), s. 31-34 ISSN 1422-6375 R&D Projects: GA AV ČR(CZ) IAA1010110 Grant - others:European Community Marie Curie Fellowship(XE) HPMF-CT-2002-01713 Institutional research plan: CEZ:AV0Z1010914 Keywords : microwave plasma CVD * nanocrystalline diamond films * characterization Subject RIV: BL - Plasma and Gas Discharge Physics

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

Science.gov (United States)

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

2015-12-01

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

Bilirubin adsorption on nanocrystalline titania films

International Nuclear Information System (INIS)

Yang Zhengpeng; Si Shihui; Fung Yingsing

2007-01-01

Bilirubin produced from hemoglobin metabolism and normally conjugated with albumin is a kind of lipophilic endotoxin, and can cause various diseases when its concentration is high. Bilirubin adsorption on the nanocrystalline TiO 2 films was investigated using quartz crystal microbalance, UV-vis and IR techniques, and factors affecting its adsorption such as pH, bilirubin concentration, solution ionic strength, temperature and thickness of TiO 2 films were discussed. The amount of adsorption and parameters for the adsorption kinetics were estimated from the frequency measurements of quartz crystal microbalance. A fresh surface of the nanocrystalline TiO 2 films could be photochemically regenerated because holes and hydroxyl radicals were generated by irradiating the nanocrystalline TiO 2 films with UV light, which could oxidize and decompose organic materials, and the nanocrystalline TiO 2 films can be easily regenerated when it is used as adsorbent for the removal of bilirubin

Weighting the influence of TiO{sub 2} anatase/brookite ratio in TiO{sub 2}–Ag porous nanocomposites on visible photocatalytic performances

Energy Technology Data Exchange (ETDEWEB)

Iancu, V. [Babes-Bolyai University, Faculty of Physics and Interdisciplinary Research Institute on Bio-Nano-Sciences, 400084 Cluj-Napoca (Romania); Baia, M., E-mail: monica.baia@phys.ubbcluj.ro [Babes-Bolyai University, Faculty of Physics and Interdisciplinary Research Institute on Bio-Nano-Sciences, 400084 Cluj-Napoca (Romania); Diamandescu, L. [National Institute of Materials Physics, P.O. Box MG-7, 77125 Bucharest-Magurele (Romania); Pap, Zs. [Faculty of Chemistry and Chemical Engineering, Babes-Bolyai University, Arany Janos 11, 400028 Cluj-Napoca (Romania); Research Group of Environmental Chemistry, Institute of Chemistry, University of Szeged, Tisza Lajos krt. 103, H-6720 Szeged (Hungary); Vlaicu, A.M. [National Institute of Materials Physics, P.O. Box MG-7, 77125 Bucharest-Magurele (Romania); Danciu, V. [Faculty of Chemistry and Chemical Engineering, Babes-Bolyai University, Arany Janos 11, 400028 Cluj-Napoca (Romania); Baia, L. [Babes-Bolyai University, Faculty of Physics and Interdisciplinary Research Institute on Bio-Nano-Sciences, 400084 Cluj-Napoca (Romania)

2013-08-15

Nanocomposites based on TiO{sub 2} aerogel and Ag nanoparticles have been successfully obtained through different synthesis methods and their specific surface areas have been determined by N{sub 2} sorption (BET method). The photocatalytic potential for salicylic acid degradation has been evaluated. It was found that under visible light irradiation, all synthesized nanocomposites exhibit higher photocatalytic activity than the commercially available Aeroxide P25. By correlating the structural parameters with the photocatalytic performances, it has been found that the Ag nanoparticles and brookite phase presence alongside the anatase play important roles on the visible photocatalysts behavior. For the Ag containing samples with mixed anatase–brookite phases, it has been observed that the visible photocatalytic performance decreases with the increase in brookite crystalline phase content. On the other hand, the addition of Ag nanoparticles results, as expected, in a clear enhancement of the visible photocatalytic activity. - Graphical abstract: Display Omitted - Highlights: • Synthesis of composites based on TiO{sub 2} aerogel and Ag nanoparticles. • Existence of mixed crystalline structure consisting of brookite and anatase phases. • Composites visible photocatalytic activity reduces as brookite phase content raises. • Ag nanoparticles addition enhances the visible photocatalytic activity.

Hydrothermal Preparation of Apatite Composite with Magnetite or Anatase

International Nuclear Information System (INIS)

Murakami, Setsuaki; Ishida, Emile H.; Ioku, Koji

2006-01-01

Microstructure designed porous hydroxyapatite (Ca10(PO4)6(OH)2) composites with magnetite (Fe3O4) particles or anatase (TiO2) dispersion were prepared by hydrothermal treatment. These composites had micro-pores of about 0.1-0.5 μm in size. Magnetite / Hydroxyapatite composites should be suitable for medical treatment of cancer, especially in bones, because HA can bond to bones directly and magnetite can generate heat. They must be used for hyperthermia therapies of cancer in bones. Meanwhile, anatase / Hydroxyapatite composite should be suitable for environmental purification, because HA rod-shape particles expose the specific crystal face, which adsorbs organic contaminants and so on

An investigation into the room temperature mechanical properties of nanocrystalline austenitic stainless steels

International Nuclear Information System (INIS)

Eskandari, Mostafa; Zarei-Hanzaki, Abbas; Abedi, Hamid Reza

2013-01-01

Highlights: ► Strength of nanocrystalline specimens follows a trend of a remarkable rise along with a small drop in ductility in comparison to the coarse-grained one. ► Universal correlation of linear type (UTS = mτ max ) between shear punch test data and the tensile strength may be unreliable for the nanocrystalline materials. ► Actual relation between the maximum shear and ultimate tensile strength follows an empirical formula of UTS=0.013τ max 2 -25.62τ max +13049. -- Abstract: The present work has been conducted to evaluate the mechanical properties of nanostructured 316L and 301 austenitic stainless steels. The nanocrystalline structures were produced through martensite treatment which includes cold rolling followed by annealing treatment. The effect of equivalent rolling strain and annealing parameters on the room temperature mechanical behavior of the experimental alloys have been studied using the shear punch testing technique. The standard uniaxial tension tests were also carried out to adapt the related correlation factors. The microstructures and the volume fraction of phases were characterized by transmission electron microscopy and feritscopy methods, respectively. The results indicate that the strength of nanocrystalline specimens remarkably increases, but the ductility in comparison to the coarse-grained one slightly decreases. In addition the strength of nanocrystalline specimens has been increased by decreasing the annealing temperature and increasing the equivalent rolling strain. The analysis of the load–displacement data has also disclosed that the universal correlation of linear type (UTS = mτ max ) between shear punch test data and the tensile strength is somehow unreliable for the nanocrystalline materials. The results suggest that the actual relation between the maximum shear strength and ultimate tensile strength follows a second order equation of type UTS=aτ max 2 -bτ max +c.

Effect of power on the growth of nanocrystalline silicon films

International Nuclear Information System (INIS)

Kumar, Sushil; Dixit, P N; Rauthan, C M S; Parashar, A; Gope, Jhuma

2008-01-01

Nanocrystalline silicon thin films were grown using a gaseous mixture of silane, hydrogen and argon in a plasma-enhanced chemical vapor deposition system. These films were deposited away from the conventional low power regime normally used for the deposition of device quality hydrogenated amorphous silicon films. It was observed that, with the increase of applied power, there is a change in nanocrystalline phases which were embedded in the amorphous matrix of silicon. Atomic force microscopy micrographs show that these films contain nanocrystallite of 20-100 nm size. Laser Raman and photoluminescence peaks have been observed at 514 cm -1 and 2.18 eV, respectively, and particle sizes were estimated using the same as 8.24 nm and 3.26 nm, respectively. It has also been observed that nanocrystallites in these films enhanced the optical bandgap and electrical conductivity

Effect of power on the growth of nanocrystalline silicon films

Energy Technology Data Exchange (ETDEWEB)

Kumar, Sushil; Dixit, P N; Rauthan, C M S; Parashar, A; Gope, Jhuma [Plasma Processed Materials Group, National Physical Laboratory, Dr K S Krishnan Road, New Delhi 110 012 (India)], E-mail: skumar@mail.nplindia.ernet.in

2008-08-20

Nanocrystalline silicon thin films were grown using a gaseous mixture of silane, hydrogen and argon in a plasma-enhanced chemical vapor deposition system. These films were deposited away from the conventional low power regime normally used for the deposition of device quality hydrogenated amorphous silicon films. It was observed that, with the increase of applied power, there is a change in nanocrystalline phases which were embedded in the amorphous matrix of silicon. Atomic force microscopy micrographs show that these films contain nanocrystallite of 20-100 nm size. Laser Raman and photoluminescence peaks have been observed at 514 cm{sup -1} and 2.18 eV, respectively, and particle sizes were estimated using the same as 8.24 nm and 3.26 nm, respectively. It has also been observed that nanocrystallites in these films enhanced the optical bandgap and electrical conductivity.

Preparation of high-quality ultrathin transmission electron microscopy specimens of a nanocrystalline metallic powder.

Science.gov (United States)

Riedl, Thomas; Gemming, Thomas; Mickel, Christine; Eymann, Konrad; Kirchner, Alexander; Kieback, Bernd

2012-06-01

This article explores the achievable transmission electron microscopy specimen thickness and quality by using three different preparation methods in the case of a high-strength nanocrystalline Cu-Nb powder alloy. Low specimen thickness is essential for spatially resolved analyses of the grains in nanocrystalline materials. We have found that single-sided as well as double-sided low-angle Ar ion milling of the Cu-Nb powders embedded into epoxy resin produced wedge-shaped particles of very low thickness (coating on the sections consisting of epoxy deployed as the embedding material and considerable nanoscale thickness variations. Copyright © 2011 Wiley Periodicals, Inc.

A phenomenological variational multiscale constitutive model for intergranular failure in nanocrystalline materials

KAUST Repository

Siddiq, A.

2013-09-01

We present a variational multiscale constitutive model that accounts for intergranular failure in nanocrystalline fcc metals due to void growth and coalescence in the grain boundary region. Following previous work by the authors, a nanocrystalline material is modeled as a two-phase material consisting of a grain interior phase and a grain boundary affected zone (GBAZ). A crystal plasticity model that accounts for the transition from partial dislocation to full dislocation mediated plasticity is used for the grain interior. Isotropic porous plasticity model with further extension to account for failure due to the void coalescence was used for the GBAZ. The extended model contains all the deformation phases, i.e. elastic deformation, plastic deformation including deviatoric and volumetric plasticity (void growth) followed by damage initiation and evolution due to void coalescence. Parametric studies have been performed to assess the model\\'s dependence on the different input parameters. The model is then validated against uniaxial loading experiments for different materials. Lastly we show the model\\'s ability to predict the damage and fracture of a dog-bone shaped specimen as observed experimentally. © 2013 Elsevier B.V.

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

Science.gov (United States)

Selçuk, Sencer; Selloni, Annabella

2017-07-01

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

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.

Structural elucidation of nanocrystalline biomaterials

Energy Technology Data Exchange (ETDEWEB)

Maltsev, S.

2008-10-23

Bone diseases, such as osteoporosis and osteoarthritis, are the second most prevalent health problem worldwide. In Germany approximately 5 millions people are affected by arthritis. Investigating biomineralization processes and bone molecular structure is of key importance for developing new drugs for preventing and healing bone diseases. Nuclear magnetic resonance (NMR) was the primary technique used due to its advantages in characterising poorly ordered and disordered materials. Compared to all the diffraction techniques that widely applied in structural investigations, the usefulness of NMR is independent of long range molecular order. This makes NMR an outstanding technique for studies of complex/amorphous materials. Conventional NMR experiments (single pulse, spin-echo, cross polarization (CP), etc.) as well as their modifications and high-end techniques (2D HETCOR, REDOR, etc.) were used in this work. Combining the contributions from different techniques enhances the information content of the investigations and can increase the precision of the overall conclusions. Also XRD, TEM and FTIR were applied to different extent in order to get a general idea of nanocrystalline hydroxyapatite crystallite structure. Results: - A new approach named 'Solid-state NMR spectroscopy using the lost I spin magnetization in polarization transfer experiments' has been developed for measuring the transferred I spin magnetization from abundant nuclei, which is normally lost when detecting the S spin magnetization. - A detailed investigation of nanocrystalline hydroxyapatite core was made to prove that proton environment of the phosphates units and phosphorus environment of hydroxyl units are the same as in highly crystalline hydroxyapatite sample. - Using XRD it was found that the surface of the hydroxyapatite nanocrystals is not completely disordered, as it was suggested before, but resembles the hydroxyapatite structure with HPO{sub 4}{sup 2-} (and some CO{sub 3}{sup

Structural elucidation of nanocrystalline biomaterials

Energy Technology Data Exchange (ETDEWEB)

Maltsev, S

2008-10-23

Bone diseases, such as osteoporosis and osteoarthritis, are the second most prevalent health problem worldwide. In Germany approximately 5 millions people are affected by arthritis. Investigating biomineralization processes and bone molecular structure is of key importance for developing new drugs for preventing and healing bone diseases. Nuclear magnetic resonance (NMR) was the primary technique used due to its advantages in characterising poorly ordered and disordered materials. Compared to all the diffraction techniques that widely applied in structural investigations, the usefulness of NMR is independent of long range molecular order. This makes NMR an outstanding technique for studies of complex/amorphous materials. Conventional NMR experiments (single pulse, spin-echo, cross polarization (CP), etc.) as well as their modifications and high-end techniques (2D HETCOR, REDOR, etc.) were used in this work. Combining the contributions from different techniques enhances the information content of the investigations and can increase the precision of the overall conclusions. Also XRD, TEM and FTIR were applied to different extent in order to get a general idea of nanocrystalline hydroxyapatite crystallite structure. Results: - A new approach named 'Solid-state NMR spectroscopy using the lost I spin magnetization in polarization transfer experiments' has been developed for measuring the transferred I spin magnetization from abundant nuclei, which is normally lost when detecting the S spin magnetization. - A detailed investigation of nanocrystalline hydroxyapatite core was made to prove that proton environment of the phosphates units and phosphorus environment of hydroxyl units are the same as in highly crystalline hydroxyapatite sample. - Using XRD it was found that the surface of the hydroxyapatite nanocrystals is not completely disordered, as it was suggested before, but resembles the hydroxyapatite structure with HPO{sub 4}{sup 2-} (and some CO{sub 3}{sup 2

Strain-delocalizing effect of a metal substrate on nanocrystalline Ni film

Energy Technology Data Exchange (ETDEWEB)

Qi, Dexing [Department of Mechanical Engineering, Nanjing Tech University, Nanjing, Jiangsu Province 210009 (China); Zhou, Jianqiu, E-mail: zhouj@njut.edu.cn [Department of Mechanical Engineering, Nanjing Tech University, Nanjing, Jiangsu Province 210009 (China); Department of Mechanical Engineering, Wuhan Institute of Technology, Wuhan, Hubei Province 430070 (China); Liu, Hongxi; Dong, Shuhong [Department of Mechanical Engineering, Nanjing Tech University, Nanjing, Jiangsu Province 210009 (China); Wang, Ying [Department of Mechanical and Electronic Engineering, Suzhou Institute of Industrial Technology, Suzhou, Jiangsu 215104 (China)

2015-07-29

Uniaxial tensile test and scanning electron microscopy (SEM) are introduced to study the tensile properties of electrodeposited nanocrystalline nickel/coarse-grained copper (N/C) composite in this paper. Compared to the stress strain response of pure nanocrystalline (NC) nickel (Ni), the tensile ductility of N/C composite is enhanced significantly. Based on the experimental results, a multi-phase composite model is proposed to investigate the micromechanical behaviors of the NC Ni film and N/C composite plate. The constitutive models are implemented into ABAQUS/Explicit in the form of VUMAT subroutine. A series of numerical simulations are carried out and the predications were in good agreement with experimental results. It can be concluded that the coarse-grained (CG) substrate work well in suppressing the strain localization in the NC Ni film.

Electrochemical Behavior of TiO2 Nanoparticle Doped WO3 Thin Films

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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.

Synthesis and luminescence properties of nanocrystalline LiF:Mg,Cu,P phosphor

Energy Technology Data Exchange (ETDEWEB)

Sahare, P.D., E-mail: pdsahare@physics.du.ac.i [Department of Physics and Astrophysics, University of Delhi, Delhi 110 007 (India); Bakare, J.S. [SSGM College of Engineering, Amravati University, Shegaon 444 203, Maharashtra (India); Dhole, S.D. [Department of Physics, University of Pune, Ganeshkhind, Pune 411 007 (India); Ingale, N.B. [Department of Physics, Professor Ram Meghe Institute of Technology and Research, Badnera-Amravati 444 605, Maharashtra (India); Rupasov, A.A. [P. N. Lebedev Physical Institute, Russian Academy of Sciences, Leninsky pr-t 53, Moscow (Russian Federation)

2010-02-15

Nanocrystalline LiF:Mg,Cu,P phosphor material of different shapes and sizes (microcrystalline cubic shape, nanorod shape and nanocrystalline cubical shaped) have been prepared by the chemical co-precipitation method. Thermoluminescence (TL) and other dosimetric characteristics of the phosphor are studied and presented here. The formation of the materials was confirmed by the X-ray diffraction (XRD). Its shapes and sizes were also observed using scanning electron microscope (SEM). The TL glow curve of the microcrystalline powder shows a prominent single peak at 408 K along with another peak of lesser intensity at around 638 K. On the contrary, the nanocrystalline rod shaped particles show a peak of low intensity at 401 K and a prominent peak around 700 K while the nanocrystalline particles in cubical shapes again show two peaks, one at around 407 K and the other at around 617 K, of which the lower temperature (407 K) peak is more prominent. The glow curve structure changes at very high doses (100 kRad) and some new peaks appear at around 525 and 637 K also the first peak appearing at around 401 K becomes prominent. The observed changes in TL due to the change in the shape and sizes of the nanophosphor have been reported. The PL has also been studied and various excitation and emission peaks observed due to the presence of various impurities are explained. The observed results have been explained in the light of asymmetrical crystal field effects due to asymmetrical shapes of the nanocrystalline phosphor. The comparison of these properties with the microcrystalline material prepared by the same co-precipitation method is also done.

Single step thermal decomposition approach to prepare supported γ-Fe2O3 nanoparticles

International Nuclear Information System (INIS)

Sharma, Geetu; Jeevanandam, P.

2012-01-01

γ-Fe 2 O 3 nanoparticles supported on MgO (macro-crystalline and nanocrystalline) were prepared by an easy single step thermal decomposition method. Thermal decomposition of iron acetylacetonate in diphenyl ether, in the presence of the supports followed by calcination, leads to iron oxide nanoparticles supported on MgO. The X-ray diffraction results indicate the stability of γ-Fe 2 O 3 phase on MgO (macro-crystalline and nanocrystalline) up to 1150 °C. The scanning electron microscopy images show that the supported iron oxide nanoparticles are agglomerated while the energy dispersive X-ray analysis indicates the presence of iron, magnesium and oxygen in the samples. Transmission electron microscopy images indicate the presence of smaller γ-Fe 2 O 3 nanoparticles on nanocrystalline MgO. The magnetic properties of the supported magnetic nanoparticles at various calcination temperatures (350-1150 °C) were studied using a superconducting quantum interference device which indicates superparamagnetic behavior.

Biocompatible nanocrystalline natural bonelike carbonated hydroxyapatite synthesized by mechanical alloying in a record minimum time

Energy Technology Data Exchange (ETDEWEB)

Lala, S. [Materials Science Division, Department of Physics, The University of Burdwan, Golapbag, Burdwan-713104, West Bengal (India); Brahmachari, S.; Das, P.K. [Department of Biological Chemistry, Indian Association for the Cultivation of Science, Jadavpur, Kolkata-700 032 (India); Das, D. [UGC-DAE Consortium for Scientific Research, Kolkata-700098 (India); Kar, T. [Department of Materials Science, Indian Association for the Cultivation of Science, Jadavpur, Kolkata-700032 (India); Pradhan, S.K., E-mail: skp_bu@yahoo.com [Materials Science Division, Department of Physics, The University of Burdwan, Golapbag, Burdwan-713104, West Bengal (India)

2014-09-01

Single phase nanocrystalline biocompatible A-type carbonated hydroxyapatite (A-cHAp) powder has been synthesized by mechanical alloying the stoichiometric mixture of CaCO{sub 3} and CaHPO{sub 4}.2H{sub 2}O powders in open air at room temperature within 2 h of milling. The A-type carbonation in HAp is confirmed by FTIR analysis. Structural and microstructure parameters of as-milled powders are obtained from both Rietveld's powder structure refinement analysis and transmission electron microscopy. Size and lattice strain of nanocrystalline HAp particles are found to be anisotropic in nature. Mechanical alloying causes amorphization of a part of crystalline A-cHAp which is analogous to native bone mineral. Some primary bond lengths of as-milled samples are critically measured. MTT [3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide] assay test reveals high percentage of cell viability and hence confirms the biocompatibility of the sample. The overall results indicate that the processed A-cHAp has a chemical composition very close to that of biological apatite. - Graphical abstract: Biocompatible A-Type Carbonated Hydroxyapatite (A-cHAp) has been synthesized by mechanical alloying in polycrystalline form within 2 h of milling. The shape and position of CO channel have been shown. - Highlights: • A-cHAp phase is completed within 2 h of milling. • FTIR analysis confirms A-type carbonation in HAp. • Amorphization of a part of crystalline A-cHAp. • Particle size and strain are anaisotropic in nature. • High cell viability under MTT assay.

Low-Temperature Sol-Gel Synthesis of Nitrogen-Doped Anatase/Brookite Biphasic Nanoparticles with High Surface Area and Visible-Light Performance

Directory of Open Access Journals (Sweden)

Liang Jiang

2017-12-01

Full Text Available Nitrogen doping in combination with the brookite phase or a mixture of TiO2 polymorphs nanomaterials can enhance photocatalytic activity under visible light. Generally, nitrogen-dopedanatase/brookite mixed phases TiO2 nanoparticles obtained by hydrothermal or solvothermal method need to be at high temperature and with long time heating treatment. Furthermore, the surface areas of them are low (<125 m2/g. There is hardly a report on the simple and direct preparation of N-doped anatase/brookite mixed phase TiO2 nanostructures using sol-gel method at low heating temperature. In this paper, the nitrogen-doped anatase/brookite biphasic nanoparticles with large surface area (240 m2/g were successfully prepared using sol-gel method at low temperature (165 °C, and with short heating time (4 h under autogenous pressure. The obtained sample without subsequent annealing at elevated temperatures showed enhanced photocatalytic efficiency for the degradation of methyl orange (MO with 4.2-, 9.6-, and 7.5-fold visible light activities compared to P25 and the amorphous samples heated in muffle furnace with air or in tube furnace with a flow of nitrogen at 165 °C, respectively. This result was attributed to the synergistic effects of nitrogen doping, mixed crystalline phases, and high surface area.

One-Step Hydrothermal-Electrochemical Route to Carbon-Stabilized Anatase Powders

Science.gov (United States)

Tao, Ying; Yi, Danqing; Zhu, Baojun

2013-04-01

Black carbon-stabilized anatase particles were prepared by a simple one-step hydrothermal-electrochemical method using glucose and titanium citrate as the carbon and titanium source, respectively. Morphological, chemical, structural, and electrochemical characterizations of these powders were carried out by Raman spectroscopy, Fourier-transform infrared spectroscopy, x-ray diffraction, scanning electron microscopy, and cyclic voltammetry. It was revealed that 200-nm carbon/anatase TiO2 was homogeneously dispersed, and the powders exhibited excellent cyclic performance at high current rates of 0.05 V/s. The powders are interesting potential materials that could be used as anodes for lithium-ion batteries.

Dynamic Diffraction Studies on the Crystallization, Phase Transformation, and Activation Energies in Anodized Titania Nanotubes

Directory of Open Access Journals (Sweden)

Hani Albetran

2018-02-01

Full Text Available The influence of calcination time on the phase transformation and crystallization kinetics of anodized titania nanotube arrays was studied using in-situ isothermal and non-isothermal synchrotron radiation diffraction from room temperature to 900 °C. Anatase first crystallized at 400 °C, while rutile crystallized at 550 °C. Isothermal heating of the anodized titania nanotubes by an increase in the calcination time at 400, 450, 500, 550, 600, and 650 °C resulted in a slight reduction in anatase abundance, but an increase in the abundance of rutile because of an anatase-to-rutile transformation. The Avrami equation was used to model the titania crystallization mechanism and the Arrhenius equation was used to estimate the activation energies of the titania phase transformation. Activation energies of 22 (10 kJ/mol for the titanium-to-anatase transformation, and 207 (17 kJ/mol for the anatase-to-rutile transformation were estimated.

Dynamic Diffraction Studies on the Crystallization, Phase Transformation, and Activation Energies in Anodized Titania Nanotubes.

Science.gov (United States)

Albetran, Hani; Vega, Victor; Prida, Victor M; Low, It-Meng

2018-02-23

The influence of calcination time on the phase transformation and crystallization kinetics of anodized titania nanotube arrays was studied using in-situ isothermal and non-isothermal synchrotron radiation diffraction from room temperature to 900 °C. Anatase first crystallized at 400 °C, while rutile crystallized at 550 °C. Isothermal heating of the anodized titania nanotubes by an increase in the calcination time at 400, 450, 500, 550, 600, and 650 °C resulted in a slight reduction in anatase abundance, but an increase in the abundance of rutile because of an anatase-to-rutile transformation. The Avrami equation was used to model the titania crystallization mechanism and the Arrhenius equation was used to estimate the activation energies of the titania phase transformation. Activation energies of 22 (10) kJ/mol for the titanium-to-anatase transformation, and 207 (17) kJ/mol for the anatase-to-rutile transformation were estimated.

Nanocrystalline material in toroidal cores for current transformer: analytical study and computational simulations

Directory of Open Access Journals (Sweden)

Benedito Antonio Luciano

2005-12-01

Full Text Available Based on electrical and magnetic properties, such as saturation magnetization, initial permeability, and coercivity, in this work are presented some considerations about the possibilities of applications of nanocrystalline alloys in toroidal cores for current transformers. It is discussed how the magnetic characteristics of the core material affect the performance of the current transformer. From the magnetic characterization and the computational simulations, using the finite element method (FEM, it has been verified that, at the typical CT operation value of flux density, the nanocrystalline alloys properties reinforce the hypothesis that the use of these materials in measurement CT cores can reduce the ratio and phase errors and can also improve its accuracy class.

Nanocrystalline NdFeB magnet prepared by mechanically activated disproportionation and desorption-recombination in-situ sintering

International Nuclear Information System (INIS)

Xiaoya, Liu; Yuping, Li; Lianxi, Hu

2013-01-01

The process of mechanically activated disproportionation and desorption-recombination in-situ sintering was proposed to synthesize highly densified nanocrystalline NdFeB magnet, and its validity was demonstrated by experimental investigation with the use of a Nd 16 Fe 76 B 8 (atomic ratio) alloy. Firstly, the as-cast alloy was disproportionated by mechanical milling in hydrogen, with the starting micron-sized Nd 2 Fe 14 B phase decomposed into an intimate mixture of nano-structured NdH 2.7 , Fe 2 B and α-Fe phases. The as-disproportionated alloy powders were compacted by cold pressing and then subjected to desorption-recombination in-situ sintering. The microstructure of both the as-disproportionated and the subsequently sintered samples was characterized by X-ray diffraction and electron transmission microscopy, respectively. The magnetic properties of the sintered samples were measured by using vibrating sample magnetometer. The results showed that, by vacuum sintering, not only was the powder compact consolidated, but also the as-disproportionated microstucture transformed into nanocrystalline Nd 2 Fe 14 B phase via the well-known desorption-recombination reaction, thus giving rise to nanocrystalline NdFeB magnet. In the present study, the optimal sintering parameters were found to be 780 °C×30 min. In this case, the coercivity, the remanence, and maximum energy product of the magnet sample achieved 0.8 T, 635.3 kA/m, and 106.3 kJ/m 3 , respectively. - Highlights: ► Nano-structured disproportionated NdFeB alloy powders by mechanical milling in hydrogen. ► Highly densified green magnet compact by cold pressing of as-disproportionated NdFeB alloy powders. ► Nanocrystalline NdFeB magnets by desorption-recombination in-situ sintering under vacuum. ► Magnetic properties significantly improved by relative density enhancement and nanocrystallization of Nd 2 Fe 14 B phase. ► The effects of sintering parameters on magnetic properties and the underlying

Single phase inverter for a three phase power generation and distribution system

Science.gov (United States)

Lindena, S. J.

1976-01-01

A breadboard design of a single-phase inverter with sinusoidal output voltage for a three-phase power generation and distribution system was developed. The three-phase system consists of three single-phase inverters, whose output voltages are connected in a delta configuration. Upon failure of one inverter the two remaining inverters will continue to deliver three-phase power. Parallel redundancy as offered by two three-phase inverters is substituted by one three-phase inverter assembly with high savings in volume, weight, components count and complexity, and a considerable increase in reliability. The following requirements must be met: (1) Each single-phase, current-fed inverter must be capable of being synchronized to a three-phase reference system such that its output voltage remains phaselocked to its respective reference voltage. (2) Each single-phase, current-fed inverter must be capable of accepting leading and lagging power factors over a range from -0.7 through 1 to +0.7.

HRTEM study of the nanocrystalline Al85Y10Ni5 alloy

International Nuclear Information System (INIS)

Kozubowski, J.A.; Latuch, J.

1999-01-01

Nanocrystalline alloy Al 85 Y 10 Ni 5 obtained by annealing of the amorphous ribbons formed by melt spinning was studied by transmission electron microscopy and energy dispersive X-ray spectroscopy (EDS). The combined use of electron diffraction, electron microscopy and EDS has revealed the presence of several nano-phases: separate grains of Al(Y) and Al(N) solid solutions Al 3 Y grains and an unidentified phase of composition close to Al 3 (Ni,Y). (author)

Crystal growth and design of a facile synthesized uniform single crystalline football-like anatase TiO{sub 2} microspheres with exposed {0 0 1} facets

Energy Technology Data Exchange (ETDEWEB)

Liu, Bitao [Chongqing Research institute for new material technology, Chongqing University of Arts and Science, Chongqing 402160 (China); Department of Research Center for Materials Interdisciplinary Science, Chongqing PR China (China); Jin, Chunhua; Ju, Yue [Department of Research Center for Materials Interdisciplinary Science, Chongqing PR China (China); Peng, Lingling [Chongqing Research institute for new material technology, Chongqing University of Arts and Science, Chongqing 402160 (China); Tian, Liangliang [Chongqing Research institute for new material technology, Chongqing University of Arts and Science, Chongqing 402160 (China); Department of Research Center for Materials Interdisciplinary Science, Chongqing PR China (China); Wang, Jinbiao [Chongqing Research institute for new material technology, Chongqing University of Arts and Science, Chongqing 402160 (China); Zhang, Tiejun, E-mail: liubitao007@163.com [Chongqing Research institute for new material technology, Chongqing University of Arts and Science, Chongqing 402160 (China)

2014-08-30

Graphical abstract: - Highlights: • Football-like TiO{sub 2} synthesized by a facile hydrothermal method. • The formation mechanism of football-like TiO{sub 2} was investigated. • The DSSC efficiency assembled by football-like TiO{sub 2} is 23.3% higher than P25. - Abstract: Uniform football-like anatase TiO{sub 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{sub 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{sub 2} particles exposed by {0 0 1} facets is investigated. It was found that there existed a selective adsorption of F{sup −} 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{sub 2} particles. Additionally, this type of exposed {0 0 1} facets football-like TiO{sub 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.

Preparation of single phase molybdenum boride

International Nuclear Information System (INIS)

Camurlu, Hasan Erdem

2011-01-01

Highlights: → Formation of Mo and a mixture of molybdenum boride phases take place in preparation of molybdenum borides. → It is intricate to prepare single phase molybdenum borides. → Formation of single phase MoB from MoO 3 + B 2 O 3 + Mg mixtures has not been reported previously. → Single phase MoB was successfully prepared through a combination of mechanochemical synthesis and annealing process. - Abstract: The formation of MoB through volume combustion synthesis (VCS), and through mechanochemical synthesis (MCS) followed by annealing has been investigated. MoO 3 , B 2 O 3 and Mg were used as reactants while MgO and NaCl were introduced as diluents. Products were leached in dilute HCl solution and were subjected to X-ray diffraction (XRD) analysis and scanning electron microscopy (SEM) examinations. Mo was the major phase component in the VCS products under all the experimental conditions. Mo 2 B, MoB, MoB 2 and Mo 2 B 5 were found as minor phases. Products of MCS contained a mixture of Mo 2 B, MoB, MoB 2 and Mo. After annealing the MCS product at 1400 deg. C for 3 h, single phase α-MoB was obtained.

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

Phase transformation and grain growth behavior of a nanocrystalline 18/8 stainless steel

Energy Technology Data Exchange (ETDEWEB)

Kotan, Hasan, E-mail: hasankotan@gmail.com [Konya Necmettin Erbakan University, Department of Metallurgical & Materials Engineering, Konya 42090 (Turkey); Darling, Kris A. [US Army Research Laboratory, Weapons and Materials Research Directorate, RDRL-WMM-F, Aberdeen Proving Ground, MD 21005-5069 (United States)

2017-02-16

Fe-18Cr-8Ni and Fe-18Cr-8Ni-1Y (at%) stainless steel powders were nanostructured by mechanical alloying from elemental powders and subjected to 90 min annealing treatments at various temperatures. The microstructural evolutions as a function of alloy compositions and temperatures were investigated by in-situ and ex-situ x-ray diffraction experiments, transmission electron microscopy and focused ion beam microscopy. The dependence of hardness on the microstructure was utilized to study the mechanical changes. It was found that the resulting microstructures by mechanical alloying were bcc solid solution, the so-called α’-martensite structure. The high temperature in-situ x-ray diffraction experiments showed that the martensite-to-austenite reverse phase transformation was completed above 800 and 900 °C for Fe-18Cr-8Ni and Fe-18Cr-8Ni-1Y steels, respectively. A partial or complete retransformation to martensite was observed upon cooling to room temperature. Annealing of nanocrystalline Fe-18Cr-8Ni steel yielded grain growth reaching to micron sizes at 1100 °C while addition of 1 at% yttrium stabilized the microstructure around 160 nm grain size and 6 GPa hardness after 90 min annealing at 1200 °C.

Synthesis and electrical conductivity of nanocrystalline tetragonal FeS

International Nuclear Information System (INIS)

Zeng Shu-Lin; Wang Hui-Xian; Dong Cheng

2014-01-01

A convenient method for synthesis of tetragonal FeS using iron powder as iron source, is reported. Nanocrystalline tetragonal FeS samples were successfully synthesized by reacting metallic iron powder with sodium sulfide in acetate buffer solution. The obtained sample is single-phase tetragonal FeS with lattice parameters a = 0.3767 nm and c = 0.5037 nm, as revealed by X-ray diffraction. The sample consists of flat nanosheets with lateral dimensions from 20 nm up to 200 nm and average thickness of about 20 nm. We found that tetragonal FeS is a fairly good conductor from the electrical resistivity measurement on a pellet of the nanosheets. The temperature dependence of conductivity of the pellet was well fitted using an empirical equation wherein the effect of different grain boundaries was taken into consideration. This study provides a convenient, economic way to synthesize tetragonal FeS in a large scale and reports the first electrical conductivity data for tetragonal FeS down to liquid helium temperature. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

Grain growth studies on nanocrystalline Ni powder

International Nuclear Information System (INIS)

Rane, G.K.; Welzel, U.; Mittemeijer, E.J.

2012-01-01

The microstructure of nanocrystalline Ni powder produced by ball-milling and its thermal stability were investigated by applying different methods of X-ray diffraction line-profile analysis: single-line analysis, whole powder-pattern modelling and the (modified) Warren–Averbach method were employed. The kinetics of grain growth were investigated by both ex-situ and in-situ X-ray diffraction measurements. With increasing milling time, the grain-size reduction is accompanied by a considerable narrowing of the size distribution and an increase in the microstrain. Upon annealing, initial, rapid grain growth occurs, accompanied by the (almost complete) annihilation of microstrain. For longer annealing times, the grain-growth kinetics depend on the initial microstructure: a smaller microstrain with a broad grain-size distribution leads to linear grain growth, followed by parabolic grain growth, whereas a larger microstrain with a narrow grain-size distribution leads to incessant linear grain growth. These effects have been shown to be incompatible with grain-boundary curvature driven growth. The observed kinetics are ascribed to the role of excess free volume at the grain boundaries of nanocrystalline material and the prevalence of an “abnormal grain-growth” mechanism.

Influence of Weak External Magnetic Field on Amorphous and Nanocrystalline Fe-based Alloys

Science.gov (United States)

Degmová, J.; Sitek, J.

2010-07-01

Nanoperm, Hitperm and Finamet amorphous and nanocrystalline alloys were measured by Mössbauer spectrometry in a weak external magnetic field of 0.5 T. It was shown that the most sensitive parameters of Mössbauer spectra are the intensities of the 2nd and the 5th lines. Rather small changes were observed also in the case of internal magnetic field values. The spectrum of nanocrystalline Nanoperm showed the increase in A23 parameter (ratio of line intensities) from 2.4 to 3.7 and decrease of internal magnetic field from 20 to 19 T for amorphous subspectrum under the influence of magnetic field. Spectrum of nanocrystalline Finemet shown decrease in A23 parameter from 3.5 to 2.6 almost without a change in the internal magnetic field value. In the case of amorphous Nanoperm and Finemet samples, the changes are almost negligible. Hitperm alloy showed the highest sensitivity to the weak magnetic field, when the A23 parameter increased from 0.4 to 2.5 in the external magnetic fields. The A23 parameter of crystalline subspectrum increased from 2.7 to 3.8 and the value of internal magnetic field corresponding to amorphous subspectrum increased from 22 to 24 T. The behavior of nanocrystalline alloys under weak external magnetic field was analyzed within the three-level relaxation model of magnetic dynamics in an assembly of single-domain particles.

External influence on magnetic properties of Fe-based nanocrystalline alloys

International Nuclear Information System (INIS)

Sitek, Jozef; Degmova, Jarmila; Sedlackova, Katarina; Butvin, Pavol

2006-01-01

Amorphous and nanocrystalline ribbons of NANOPERM, FINEMET and HITPERM were studied by Moessbauer spectroscopy (MS) after the influence of external factors: different annealing atmospheres, tensile stress and several kinds of corrosion. MS is a suitable tool for such studies because the spectral parameters are very sensitive to changes in the vicinity of the probe - 57 Fe nuclei. The most sensitive parameters were hyperfine magnetic field in crystalline component, average hyperfine field in amorphous component and direction of net magnetic moments. Influence of external factors modified also the structure of the alloys, i.e. new or modified phases were identified by MS phase analysis

Change of magnetic properties of nanocrystalline alloys under influence of external factors

Science.gov (United States)

Sitek, Jozef; Holková, Dominika; Dekan, Julius; Novák, Patrik

2016-10-01

Nanocrystalline (Fe3Ni1)81Nb7B12 alloys were irradiated using different types of radiation and subsequently studied by Mössbauer spectroscopy. External magnetic field of 0.5 T, electron-beam irradiation up to 4 MGy, neutron irradiation up to 1017 neutrons/cm2 and irradiation with Cu ions were applied on the samples. All types of external factors had an influence on the magnetic microstructure manifested as a change in the direction of the net magnetic moment, intensity of the internal magnetic field and volumetric fraction of the constituent phases. The direction of the net magnetic moment was the most sensitive parameter. Changes of the microscopic magnetic parameters were compared after different external influence and results of nanocrystalline samples were compared with their amorphous precursors.

Light trapping of crystalline Si solar cells by use of nanocrystalline Si layer plus pyramidal texture

Energy Technology Data Exchange (ETDEWEB)

Imamura, Kentaro; Nonaka, Takaaki; Onitsuka, Yuya; Irishika, Daichi; Kobayashi, Hikaru, E-mail: h.kobayashi@sanken.osaka-u.ac.jp

2017-02-15

Highlights: • Ultralow reflectivity Si wafers with light trapping effect can be obtained by forming a nanocrystalline Si layer on pyramidal textured Si surfaces. • Surface passivation using phosphosilicate glass improved minority carrier lifetime of the nanocrystalline Si layer/Si structure. • A high photocurrent density of 40.1 mA/cm{sup 2}, and a high conversion efficiency of 18.5% were achieved. - Abstract: The surface structure chemical transfer (SSCT) method has been applied to fabrication of single crystalline Si solar cells with 170 μm thickness. The SSCT method, which simply involves immersion of Si wafers in H{sub 2}O{sub 2} plus HF solutions and contact of Pt catalyst with Si taking only ∼30 s for 6 in. wafers, can decrease the reflectivity to less than 3% by the formation of a nanocrystalline Si layer. However, the reflectivity of the nanocrystalline Si layer/flat Si surface/rear Ag electrode structure in the wavelength region longer than 1000 nm is high because of insufficient absorption of incident light. The reflectivity in the long wavelength region is greatly decreased by the formation of the nanocrystalline Si layer on pyramidal textured Si surfaces due to an increase in the optical path length. Deposition of phosphosilicate glass (PSG) on the nanocrystalline Si layer for formation of pn-junction does not change the ultralow reflectivity because the surface region of the nanocrystalline Si layer possesses a refractive index of 1.4 which is nearly the same as that of PSG of 1.4–1.5. The PSG layer is found to passivate the nanocrystalline Si layer, which is evident from an increase in the minority carrier lifetime from 12 to 44 μs. Hydrogen treatment at 450 °C further increases the minority carrier lifetime approximately to a doubled value. The solar cells with the nanocrystalline Si layer/pyramidal Si substrate/boron-diffused back surface field/Ag rear electrode> structure show a high conversion efficiency of 18

Soft-Template Synthesis of Mesoporous Anatase TiO2 Nanospheres and Its Enhanced Photoactivity

Directory of Open Access Journals (Sweden)

Xiaojia Li

2017-11-01

Full Text Available Highly crystalline mesoporous anatase TiO2 nanospheres with high surface area (higher than P25 and anatase TiO2 are prepared by a soft-template method. Despite the high specific surface area, these samples have three times lower equilibrium adsorption (<2% than Degussa P25. The rate constant of the mesoporous anatase TiO2 (0.024 min−1 reported here is 364% higher than that of P25 (0.0066 min−1, for the same catalytic loading. The results of oxidation-extraction photometry using several reactive oxygen species (ROS scavengers indicated that mesoporous anatase TiO2 generates more ROS than P25 under UV-light irradiation. This significant improvement in the photocatalytic performance of mesoporous spherical TiO2 arises from the following synergistic effects in the reported sample: (i high surface area; (ii improved crystallinity; (iii narrow pore wall thicknesses (ensuring the rapid migration of photogenerated carriers to the surface of the material; and (iv greater ROS generation under UV-light.

Microstructural variation in titanium oxide thin films deposited by DC magnetron sputtering

International Nuclear Information System (INIS)

Pandian, Ramanathaswamy; Natarajan, Gomathi; Kamruddin, M.; Tyagi, A.K.

2013-01-01

We report on the microstructural evolution of titanium oxide thin films deposited by reactive DC magnetron sputtering using titanium metal target. By varying the ratio of sputter-gas mixture containing argon, oxygen and nitrogen various phases of titanium oxide, almost pure rutile, rutile-rich and anatase-rich nano-crystalline, were deposited on Si substrates at room temperature. Using high-resolution scanning electron microscopy, X-ray diffraction and micro-Raman techniques the microstructure of the films were revealed. The relationship between the microstructure of the films and the oxygen partial pressure during sputtering is discussed

Remediation of arsenic and lead with nanocrystalline zinc sulfide.

Science.gov (United States)

Piquette, Alan; Cannon, Cody; Apblett, Allen W

2012-07-27

Nanocrystalline (1.7 ± 0.3 nm) zinc sulfide with a specific surface area up to 360 m(2) g(-1) was prepared from the thermal decomposition of a single-source precursor, zinc ethylxanthate. Zinc ethylxanthate decomposes to cubic zinc sulfide upon exposure to temperatures greater than or equal to 125 °C. The resulting zinc sulfide was tested as a water impurity extractant. The target impurities used in this study were As(5+), As(3+), and Pb(2+). The reaction of the nanocrystalline ZnS with Pb(2+) proceeds as a replacement reaction where solid PbS is formed and Zn(2+) is released into the aqueous system. Removal of lead to a level of less than two parts per billion is achievable. The results of a detailed kinetics experiment between the ZnS and Pb(2+) are included in this study. Unlike the instance of lead, both As(5+) and As(3+) adsorb on the surface of the ZnS extractant as opposed to an ion-exchange process. An uptake capacity of > 25 mg g(-1) for the removal of As(5+) is possible. The uptake of As(3+) appears to proceed by a slower process than that of the As(5+) with a capacity of nearly 20 mg g(-1). The nanocrystalline zinc sulfide was extremely successful for the removal of arsenic and lead from simulated oil sand tailing pond water.

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

Science.gov (United States)

Dehkourdi, Elahe Hashemi; Mosavi, Mousa

2013-11-01

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

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

Directory of Open Access Journals (Sweden)

Damon Rafieian

2015-09-01

Full Text Available We discuss the formation of TiO2 thin films via DC reactive magnetron sputtering. The oxygen concentration during sputtering proved to be a crucial parameter with respect to the final film structure and properties. The initial deposition provided amorphous films that crystallise upon annealing to anatase or rutile, depending on the initial sputtering conditions. Substoichiometric films (TiOx<2, obtained by sputtering at relatively low oxygen concentration, formed rutile upon annealing in air, whereas stoichiometric films formed anatase. This route therefore presents a formation route for rutile films via lower (<500 °C temperature pathways. The dynamics of the annealing process were followed by in situ ellipsometry, showing the optical properties transformation. The final crystal structures were identified by XRD. The anatase film obtained by this deposition method displayed high carriers mobility as measured by time-resolved microwave conductance. This also confirms the high photocatalytic activity of the anatase films.

Size dependence of elastic mechanical properties of nanocrystalline aluminum

Energy Technology Data Exchange (ETDEWEB)

Xu, Wenwu; Dávila, Lilian P., E-mail: ldavila@ucmerced.edu

2017-04-24

The effect of grain size on the elastic mechanical properties of nanocrystalline pure metal Al is quantified by molecular dynamics simulation method. In this work, the largest nanocrystalline Al sample has a mean grain size of 29.6 nm and contains over 100 millions atoms in the modeling system. The simulation results show that the elastic properties including elastic modulus and ultimate tensile strength of nanocrystalline Al are relatively insensitive to the variation of mean grain size above 13 nm yet they become distinctly grain size dependent below 13 nm. Moreover, at a grain size <13 nm, the elastic modulus decreases monotonically with decreasing grain size while the ultimate tensile strength of nanocrystalline Al initially decreases with the decrease of the grain size down to 9 nm and then increases with further reduction of grain size. The increase of ultimate tensile strength below 9 nm is believed to be a result of an extended elasticity in the ultrafine grain size nanocrystalline Al. This study can facilitate the prediction of varied mechanical properties for similar nanocrystalline materials and even guide testing and fabrication schemes of such materials.

Enhanced Activity of Nanocrystalline Zeolites for Selective Catalytic Reduction of NOx

International Nuclear Information System (INIS)

Sarah C. Larson; Vicki H. Grassian

2006-01-01

Nanocrystalline zeolites with discrete crystal sizes of less than 100 nm have different properties relative to zeolites with larger crystal sizes. Nanocrystalline zeolites have improved mass transfer properties and very large internal and external surface areas that can be exploited for many different applications. The additional external surface active sites and the improved mass transfer properties of nanocrystalline zeolites offer significant advantages for selective catalytic reduction (SCR) catalysis with ammonia as a reductant in coal-fired power plants relative to current zeolite based SCR catalysts. Nanocrystalline NaY was synthesized with a crystal size of 15-20 nm and was thoroughly characterized using x-ray diffraction, electron paramagnetic resonance spectroscopy, nitrogen adsorption isotherms and Fourier Transform Infrared (FT-IR) spectroscopy. Copper ions were exchanged into nanocrystalline NaY to increase the catalytic activity. The reactions of nitrogen dioxides (NO x ) and ammonia (NH 3 ) on nanocrystalline NaY and CuY were investigated using FT-IR spectroscopy. Significant conversion of NO 2 was observed at room temperature in the presence of NH 3 as monitored by FT-IR spectroscopy. Copper-exchanged nanocrystalline NaY was more active for NO 2 reduction with NH 3 relative to nanocrystalline NaY

Kinetic model for transformation from nano-sized amorphous $TiO_2$ to anatase

OpenAIRE

Madras, Giridhar; McCoy, Benjamin J

2006-01-01

We propose a kinetic model for the transformation of nano-sized amorphous $TiO_2$ to anatase with associated coarsening by coalescence. Based on population balance (distribution kinetics) equations for the size distributions, the model applies a first-order rate expression for transformation combined with Smoluchowski coalescence for the coarsening particles. Size distribution moments (number and mass of particles) lead to dynamic expressions for extent of reaction and average anatase particl...

Hydrothermal synthesis of fluorinated anatase TiO_2/reduced graphene oxide nanocomposites and their photocatalytic degradation of bisphenol A

International Nuclear Information System (INIS)

Luo, Lijun; Yang, Ye; Zhang, Ali; Wang, Min; Liu, Yongjun; Bian, Longchun; Jiang, Fengzhi; Pan, Xuejun

2015-01-01

Graphical abstract: - Highlights: • F–TiO_2–RGO nanocomposites were synthesized via hydrothermal method. • Presence of F ion prevents phase transformation from anatase to rutile. • The adsorbed F"− and RGO improve the photocatalytic activity of TiO_2 synergistically. • The F–TiO_2–RGO nanocomposites were applied to degrade bisphenol A. - Abstract: The surface fluorinated TiO_2/reduced graphene oxide nanocomposites (denoted as F–TiO_2–RGO) were synthesized via hydrothermal method. The as-prepared materials were characterized by transmission electron microscopy (TEM), X-ray diffractometer (XRD), Raman spectroscopy, Fourier Transform Infrared spectra (FTIR), X-ray photoelectron spectroscopy (XPS) and X-ray fluorescence (XRF). The results showed that pure anatase TiO_2 particles were anchored on the surface of reduced graphene oxide. And the HF added during the preparation process can not only prevent phase transformation from anatase to rutile, but also the F"− ion adsorbed on the surface of TiO_2–RGO surface can enhance photocatalytic activity of F–TiO_2–RGO. The photocatalytic activities of F–TiO_2–RGO nanocomposites were evaluated by decomposing bisphenol A under UV light illumination. Under optimal degradation condition, the degradation rate constant of BPA over F–TiO_2–10RGO (0.01501 min"−"1) was 3.41 times than that over P25 (0.00440 min"−"1). The result indicated that the enhanced photocatalytic activity of F–TiO_2–10RGO was ascribed to the adsorbed F ion and RGO in F–TiO_2–RGO composite, which can reduce the recombination rate of the photo-generated electrons and holes synergistically.

Synthesis of nanocrystalline Gd{sub 2}O{sub 2}NCN from a versatile single-source precursor

Energy Technology Data Exchange (ETDEWEB)

Ionescu, Emanuel; Wiehl, Leonore; Mera, Gabriela; Riedel, Ralf [Fachbereich Material- und Geowissenschaften, Technische Universitaet Darmstadt (Germany); Li, Wenjie [Fachbereich Material- und Geowissenschaften, Technische Universitaet Darmstadt (Germany); Center for Energy Harvesting Materials and Systems, Mechanical Engineering Department, Virginia Polytechnic Institute and State University, Blacksburg, VA (United States)

2017-11-17

Nanocrystalline Gd{sub 2}O{sub 2}NCN (P anti 3m1, crystallite size 30-40 nm) was synthesized upon ammonolysis of bis[[(N-carboxymethyl,N-carboxy-κO-methyl)amino-κN-ethyl]-glycinato( 3-)-κN,κO]gadolinium(III) (diethylenetriamine pentaacetic acid gadolinium(III) dihydrogen salt or gadopentetic acid, Gd-H{sub 2}DTPA hereafter) at 900 C. The conversion of Gd-H{sub 2}DTPA into Gd{sub 2}O{sub 2}NCN takes place in several steps, probably via transient formation of iminodiacetate-, glycinate-, and carbamate-containing complexes of Gd. Thermal treatment in air of Gd-H{sub 2}DTPA at 750 and 1300 C delivers nanocrystalline bixbyite-type Gd{sub 2}O{sub 3} (Ia anti 3, crystallite size 30-70 nm); in an argon or nitrogen atmosphere the formation of monoclinic Gd{sub 2}O{sub 3} (C2/m) was observed at 1300 C. The synthesized Gd{sub 2}O{sub 2}NCN converts upon thermal treatment in air, nitrogen, or argon atmosphere into monoclinic Gd{sub 2}O{sub 3} (C2/m). In ammonia atmosphere, Gd{sub 2}O{sub 2}NCN seems to be stable against decomposition, even upon prolonged exposure to 1000 C. This study indicates that Gd-H{sub 2}DTPA may be a robust, low-cost, and flexible precursor for nanoscaled Gd-based nanopowders. Moreover, precursor approaches based on metal complexes using H{sub 5}DTPA as a ligand are suggested as promising access pathways towards nanocrystalline materials in the M/O/C/N system. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Structure and thermal stability of nanocrystalline materials

Indian Academy of Sciences (India)

In addition, study of the thermal stability of nanocrystalline materials against significant grain growth is both scientific and technological interest. A sharp increase in grain size (to micron levels) during consolidation of nanocrystalline powders to obtain fully dense materials may consequently result in the loss of some unique ...

Crystalline phase-dependent eco-toxicity of titania nanoparticles to freshwater biofilms

International Nuclear Information System (INIS)

Li, Kun; Qian, Jin; Wang, Peifang; Wang, Chao; Liu, Jingjing; Tian, Xin; Lu, Bianhe; Shen, Mengmeng

2017-01-01

The potential toxic impacts of different crystal phases of titania nanoparticles (TNPs) on freshwater biofilms, especially under ultraviolet C irradiation (UVC), are unknown. Here, adverse impacts of three phases (anatase, rutile, and P25, 50 mg L −1 respectively) with UVC irradiation (An-UV, Ru-UV, and P25-UV) on freshwater biofilms were conducted. Characterization experiments revealed that rutile TNPs had a higher water environment stability than anatase and P25 TNPs, possessing a stronger photocatalytic activity under UVC irradiation. Phase-dependent inhibition of cell viability and significant decreases of four- and five-fold in algal biomass at 12 h of exposure were observed compared with unexposed biofilms. Moreover, phase-dependent oxidative stress resulted in remarkably significant reductions (P < 0.01) of the photosynthetic yields of the biofilms, to 40.32% (P25-UV), 48.39% (An-UV), and 46.77% (Ru-UV) of the plateau value obtained in the unexposed biofilms. A shift in community composition that manifested as a strong reduction in diatoms, indicating cyanobacteria and green algae were more tolerant than diatoms when exposed to TNPs. In terms of the toxic mechanisms, rutile TNPs resulted in apoptosis by inducing excessive intracellular reactive oxygen species (ROS) production, whereas P25 and anatase TNPs tended to catalyze enormous acellular ROS lead to cell necrosis under UVC irradiation. - Highlights: • Phase-dependent response of freshwater biofilms to three TNPs was studied with UVC. • Rutile is more stable yet P25 and anatase own better photooxidation level in water. • Decrease in Chl-a and φM and a shift in algae bio-cenosis were phase-dependent. • Phase-dependent stress induced cellular or acellular ROS to reduce cells viability. • Rutile tend to induced apoptosis yet P25 and anatase prefer to cause cell necrosis. - Crystalline-dependent eco-toxicity of TNPs to freshwater biofilms show allotrope of nanoparticles must be considered

Assessment of antibacterial and cytotoxic effects of orthodontic stainless steel brackets coated with different phases of titanium oxide: An in-vitro study.

Science.gov (United States)

Baby, Roshen Daniel; Subramaniam, Siva; Arumugam, Ilakkiya; Padmanabhan, Sridevi

2017-04-01

Our objective was to assess the antibacterial and cytotoxic effects of orthodontic stainless steel brackets coated with different phases of photocatalytic titanium oxide. From a total sample of 115 brackets, 68 orthodontic stainless steel brackets were coated with titanium oxide using a radiofrequency magnetron sputtering machine. The coated brackets were then converted into 34 each of the anatase and rutile phases of titanium oxide. These brackets were subdivided into 4 groups for antibacterial study and 3 groups for cytotoxicity study. Brackets for the antibacterial study were assessed against the Streptococcus mutans species using microbiologic tests. Three groups for the cytotoxicity study were assessed using the thiazolyl tetrazolium bromide assay. The antibacterial study showed that both phases were effective, but the rutile phase of photocatalytic titanium oxide had a greater bactericidal effect than did the anatase phase. The cytotoxicity study showed that the rutile phase had a greater decrease in viability of cells compared with the anatase phase. It is recommended that orthodontic brackets be coated with the anatase phase of titanium oxide since they exhibited a significant antibacterial property and were only slightly cytotoxic. Copyright © 2016 American Association of Orthodontists. Published by Elsevier Inc. All rights reserved.

Structural dependence of threshold displacement energies in rutile, anatase and brookite TiO{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Robinson, M., E-mail: marc.robinson@curtin.edu.au [Nanochemistry Research Institute, Curtin University, GPO Box U1987, Perth, WA 6845 (Australia); Marks, N.A. [Discipline of Physics and Astronomy, Curtin University, Perth, WA 6845 (Australia); Lumpkin, G.R. [Australian Nuclear Science and Technology Organisation, Locked Bag 2001, Kirrawee DC, NSW 2232 (Australia)

2014-09-15

Systematic molecular dynamics simulations of low energy cascades have been performed to examine how threshold displacement events are effected by changes in crystal structure. Exploiting the structural proximity of the rutile, anatase and brookite polymorphs of TiO{sub 2}, a quantitative examination of defect production has been carried out including detailed defect analysis and the determination of values of the threshold displacement energy (E{sub d}). Across all polymorphs comparable values of E{sub d} are reported for oxygen at around 20 eV, with the value for Ti in rutile (73 ± 2 eV) significantly higher than that in brookite (34 ± 1 eV) and anatase (39 ± 1 eV). Quantifying defect formation probability as a function of Primary Knock-on Atom (PKA) energy, simulations in rutile indicate a consistent reduction in defect formation at energies higher than E{sub d} relative to anatase and brookite. Defect cluster analysis reveals a significant proportion of di-Frenkel pairs in anatase at Ti PKA energies around E{sub d}. These clusters, which are stabilised by the localisation of two Frenkel pairs, are associated with a recombination barrier of approximately 0.19 eV. As such, annihilation is likely under typical experimental conditions which suggests an expected increase in the measured Ti value of E{sub d}. Identical O defect populations produced at the threshold by the O PKA in both rutile and anatase explain the comparable values of E{sub d}. At higher O PKA energies, the commencement of defect production on both sublattices in anatase is observed in contrast to the confinement of defects to the O sublattice in rutile. The overall trends reported are consistent with in-situ irradiation experiments and thermal spike simulations, suggesting the contrasting radiation response of the polymorphs of TiO{sub 2} is apparent during the initial stages of defect production. - Highlights: • Systematic calculation of threshold displacement energies (E{sub d

TiO2 anatase thin films deposited by spray pyrolysis of an aerosol of titanium diisopropoxide

International Nuclear Information System (INIS)

Conde-Gallardo, A.; Guerrero, M.; Castillo, N.; Soto, A.B.; Fragoso, R.; Cabanas-Moreno, J.G.

2005-01-01

Titanium dioxide thin films were deposited on crystalline silicon (100) and fused quartz substrates by spray pyrolysis (SP) of an aerosol, generated ultrasonically, of titanium diisopropoxide. The evolution of the crystallization, studied by X-ray diffraction (XRD), atomic force (AFM) and scanning electron microscopy (SEM), reflection and transmission spectroscopies, shows that the deposition process is nearly close to the classical chemical vapor deposition (CVD) technique, producing films with smooth surface and good crystalline properties. At deposition temperatures below 400 deg. C, the films grow in amorphous phase with a flat surface (roughness∼0.5 nm); while for equal or higher values to this temperature, the films develop a crystalline phase corresponding to the TiO 2 anatase phase and the surface roughness is increased. After annealing at 750 deg. C, the samples deposited on Si show a transition to the rutile phase oriented in (111) direction, while for those films deposited on fused quartz no phase transition is observed

Review: Plasma-enhanced chemical vapor deposition of nanocrystalline diamond

Directory of Open Access Journals (Sweden)

Katsuyuki Okada

2007-01-01

Full Text Available Nanocrystalline diamond films have attracted considerable attention because they have a low coefficient of friction and a low electron emission threshold voltage. In this paper, the author reviews the plasma-enhanced chemical vapor deposition (PE-CVD of nanocrystalline diamond and mainly focuses on the growth of nanocrystalline diamond by low-pressure PE-CVD. Nanocrystalline diamond particles of 200–700 nm diameter have been prepared in a 13.56 MHz low-pressure inductively coupled CH4/CO/H2 plasma. The bonding state of carbon atoms was investigated by ultraviolet-excited Raman spectroscopy. Electron energy loss spectroscopy identified sp2-bonded carbons around the 20–50 nm subgrains of nanocrystalline diamond particles. Plasma diagnostics using a Langmuir probe and the comparison with plasma simulation are also reviewed. The electron energy distribution functions are discussed by considering different inelastic interaction channels between electrons and heavy particles in a molecular CH4/H2 plasma.

On the “possible” synergism of the different phases of TiO 2 in photo-catalysis for hydrogen production

KAUST Repository

Wahab, A.K.

2017-05-19

The effect of TiO2 phase composition on the photocatalytic hydrogen production of water/ethanol (95/5 volume ratio) has been studied in order to understand the structural effect (and associated electronic properties) on the reaction within the so called “synergistic effect” concept. Within the investigated series of 1wt.% Pt/TiO2 with initial particle dimension of ca. 15nm the highest hydrogen production rate per unit area was observed for catalysts composed of 80% anatase, 18% rutile and 2% brookite. The associated particle sizes for this catalyst were 44, 82 and 33nm for the three phases, respectively. XRD patterns analyzed by the Rietveld method as well as X-ray absorption near-edge spectra (XANES) of the Ti K-edge mapped the phase transformation from anatase/brookite to rutile where it appears that the brookite phase is initially transformed to anatase phase. XRD patterns and Raman shift were found to be more sensitive to subtle changes in phase composition when compared to UV-vis absorbance or XANES of the Ti K-edge. The photocatalytic reaction for the complete series was conducted in identical condition and with excess photon flux in order to extract accurate reaction rates. In addition to the observed multi-phase effects on the reaction rate, other parameters extracted from the Rietveld refinement of the X-ray diffraction patterns were found to be useful. In particular, at the narrow window where the reaction rate was found to be maximum, the c-dimension of the anatase phase had values in the range 9.510–9.515Å. These c-dimension values are between those observed for nanoparticles with less than 20nm in size and those for larger particles with a size above 50nm. Results from this work indicate that the synergism between anatase and rutile on the photocatalytic reaction for hydrogen production, often attributed to increase the charge carrier life time, may be linked to the lattice expansion of the anatase phase which in turn would affect its electronic

Voltammetric and impedance behaviours of surface-treated nano-crystalline diamond film electrodes

International Nuclear Information System (INIS)

Liu, F. B.; Jing, B.; Cui, Y.; Di, J. J.; Qu, M.

2015-01-01

The electrochemical performances of hydrogen- and oxygen-terminated nano-crystalline diamond film electrodes were investigated by cyclic voltammetry and AC impedance spectroscopy. In addition, the surface morphologies, phase structures, and chemical states of the two diamond films were analysed by scanning probe microscopy, Raman spectroscopy, and X-ray photoelectron spectroscopy, respectively. The results indicated that the potential window is narrower for the hydrogen-terminated nano-crystalline diamond film than for the oxygen-terminated one. The diamond film resistance and capacitance of oxygen-terminated diamond film are much larger than those of the hydrogen-terminated diamond film, and the polarization resistances and double-layer capacitance corresponding to oxygen-terminated diamond film are both one order of magnitude larger than those corresponding to the hydrogen-terminated diamond film. The electrochemical behaviours of the two diamond film electrodes are discussed

Nanocrystalline NdFeB magnet prepared by mechanically activated disproportionation and desorption-recombination in-situ sintering

Energy Technology Data Exchange (ETDEWEB)

Xiaoya, Liu; Yuping, Li [School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China); Lianxi, Hu, E-mail: hulx@hit.edu.cn [School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China)

2013-03-15

The process of mechanically activated disproportionation and desorption-recombination in-situ sintering was proposed to synthesize highly densified nanocrystalline NdFeB magnet, and its validity was demonstrated by experimental investigation with the use of a Nd{sub 16}Fe{sub 76}B{sub 8} (atomic ratio) alloy. Firstly, the as-cast alloy was disproportionated by mechanical milling in hydrogen, with the starting micron-sized Nd{sub 2}Fe{sub 14}B phase decomposed into an intimate mixture of nano-structured NdH{sub 2.7}, Fe{sub 2}B and {alpha}-Fe phases. The as-disproportionated alloy powders were compacted by cold pressing and then subjected to desorption-recombination in-situ sintering. The microstructure of both the as-disproportionated and the subsequently sintered samples was characterized by X-ray diffraction and electron transmission microscopy, respectively. The magnetic properties of the sintered samples were measured by using vibrating sample magnetometer. The results showed that, by vacuum sintering, not only was the powder compact consolidated, but also the as-disproportionated microstucture transformed into nanocrystalline Nd{sub 2}Fe{sub 14}B phase via the well-known desorption-recombination reaction, thus giving rise to nanocrystalline NdFeB magnet. In the present study, the optimal sintering parameters were found to be 780 Degree-Sign C Multiplication-Sign 30 min. In this case, the coercivity, the remanence, and maximum energy product of the magnet sample achieved 0.8 T, 635.3 kA/m, and 106.3 kJ/m{sup 3}, respectively. - Highlights: Black-Right-Pointing-Pointer Nano-structured disproportionated NdFeB alloy powders by mechanical milling in hydrogen. Black-Right-Pointing-Pointer Highly densified green magnet compact by cold pressing of as-disproportionated NdFeB alloy powders. Black-Right-Pointing-Pointer Nanocrystalline NdFeB magnets by desorption-recombination in-situ sintering under vacuum. Black-Right-Pointing-Pointer Magnetic properties significantly

Enhanced dye-sensitized solar cells performance using anatase TiO2 mesocrystals with the Wulff construction of nearly 100% exposed {101} facets as effective light scattering layer.

Science.gov (United States)

Zhou, Yu; Wang, Xinyu; Wang, Hai; Song, Yeping; Fang, Liang; Ye, Naiqing; Wang, Linjiang

2014-03-28

Anatase TiO2 mesocrystals with a Wulff construction of nearly 100% exposed {101} facets were successfully synthesized by a facile, green solvothermal method. Their morphology, and crystal structure are characterized by powder X-ray diffraction (XRD), Field emission scanning electron microscopy (FESEM) and high-resolution transmission electron microscopy (HRTEM). Accordingly, a possible growth mechanism of anatase TiO2 mesocrystals is elucidated in this work. The as-prepared single anatase TiO2 mesocrystal's mean center diameter is about 500 nm, and the length is about 1 μm. They exhibit high light adsorbance, high reflectance and low transmittance in the visible region due to the unique nearly 100% exposed {101} facets. When utilized as the scattering layer in dye-sensitized solar cells (DSSCs), such mesocrystals effectively enhanced light harvesting and led to an increase of the photocurrent of the DSSCs. As a result, by using an anatase TiO2 mesocrystal film as a scattering overlayer of a compact commercial P25 TiO2 nanoparticle film, the double layered DSSCs show a power conversion efficiency of 7.23%, indicating a great improvement compared to the DSSCs based on a P25 film (5.39%) and anatase TiO2 mesocrystal films, respectively. The synergetic effect of P25 and the mesocrystals as well as the latters unique feature of a Wulff construction of nearly 100% exposed (101) facets are probably responsible for the enhanced photoelectrical performance. In particular, we explore the possibility of the low surface area and exposed {101} facets as an efficient light scattering layer of DSSCs. Our work suggests that anatase TiO2 mesocrystals with the Wulff construction is a promising candidate as a superior scattering material for high-performance DSSCs.

A new dental powder from nanocrystalline melt-spun Ag-Sn-Cu alloy ribbons

International Nuclear Information System (INIS)

Do-Minh, N.; Le-Thi, C.; Nguyen-Anh, S.

2003-01-01

A new non-gamma-two dental powder has been developed from nanocrystalline melt-spun Ag-Sn-Cu alloy ribbons. The amalgam made from this powder exhibits excellent properties for dental filling. The nanocrystalline microstructure was found for the first time in as-spun and heat treated Ag(27-28)Sn(9-32) Cu alloy ribbons, using X-ray diffraction, scanning electron microscopy and energy-dispersive spectroscopy. As-spun ribbons exhibited a multi-phase microstructure with preferred existence of β (Ag 4 Sn) phase formed during rapid solidification (RS) due to supersaturating of copper (Cu) atoms and homogenous nanostructure with subgrain size of about (40-50) nm, which seems to be developed during RS process and can be caused by eutectic reaction of the Ag 3 Sn/Ag 4 Sn-Cu 3 Sn system. In heat treated ribbons the clustering of Cu atoms was always favored and stable in an ageing temperature and time interval determined by Cu content. The heat treatment led to essential changes of subgrain morphology, resulted in the appearance of large-angle boundaries with fine Cu 3 Sn precipitates and forming typical recrystallization twins. Such a microstructure variation in melt-spun ribbons could eventually yield enhanced technological, clinical and physical properties of the dental products, controlled by the ADA Specification N deg 1 and reported before. Thus, using the rapid solidification technique a new non-gamma-two dental material of high quality, nanocrystalline ribbon powder, can be produced. Copyright (2003) AD-TECH - International Foundation for the Advancement of Technology Ltd

Current Harmonics from Single-Phase Grid-Connected Inverters

DEFF Research Database (Denmark)

Yang, Yongheng; Zhou, Keliang; Blaabjerg, Frede

2016-01-01

Environmental conditions and operational modes may significantly impact the distortion level of the injected current from single-phase grid-connected inverter systems, such as photovoltaic (PV) inverters, which may operate in cloudy days with a maximum power point tracking, in a non-unity power...... factor, or in the low voltage ride through mode with reactive current injection. In this paper, the mechanism of the harmonic current injection from grid-connected single-phase inverter systems is thus explored, and the analysis is conducted on single-phase PV systems. In particular, the analysis...... is focused on the impacts of the power factor and the feed-in grid current level on the quality of the feed-in grid current from single-phase inverters. As a consequence, an internal model principle based high performance current control solution is tailor-made and developed for single-phase grid-connected...

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.

External influence on magnetic properties of Fe-based nanocrystalline alloys

Energy Technology Data Exchange (ETDEWEB)

Sitek, Jozef [Department of Nuclear Physics and Technology, Faculty of Electrical Engineering and Information Technology, Slovak University of Technology, Ilkovicova 3, 812 19 Bratislava (Slovakia)]. E-mail: jozef.sitek@stuba.sk; Degmova, Jarmila [Department of Nuclear Physics and Technology, Faculty of Electrical Engineering and Information Technology, Slovak University of Technology, Ilkovicova 3, 812 19 Bratislava (Slovakia); Sedlackova, Katarina [Department of Nuclear Physics and Technology, Faculty of Electrical Engineering and Information Technology, Slovak University of Technology, Ilkovicova 3, 812 19 Bratislava (Slovakia); Butvin, Pavol [Institute of Physics, Slovak Academy of Sciences, Dubravska cesta 9, 845 11 Bratislava (Slovakia)

2006-09-15

Amorphous and nanocrystalline ribbons of NANOPERM, FINEMET and HITPERM were studied by Moessbauer spectroscopy (MS) after the influence of external factors: different annealing atmospheres, tensile stress and several kinds of corrosion. MS is a suitable tool for such studies because the spectral parameters are very sensitive to changes in the vicinity of the probe -{sup 57}Fe nuclei. The most sensitive parameters were hyperfine magnetic field in crystalline component, average hyperfine field in amorphous component and direction of net magnetic moments. Influence of external factors modified also the structure of the alloys, i.e. new or modified phases were identified by MS phase analysis.

On tension-compression asymmetry in ultrafine-grained and nanocrystalline metals

KAUST Repository

Gurses, Ercan

2010-12-01

We present a physically motivated computational study explaining the tension/compression (T/C) asymmetry phenomenon in nanocrystalline (nc) and ultrafine-grained (ufg) face centered cubic (fcc) metals utilizing a variational constitutive model where the nc-metal is modeled as a two-phase material consisting of a grain interior phase and a grain boundary affected zone (GBAZ). We show that the existence of voids and their growth in GBAZ renders the material pressure sensitivity due to porous plasticity and that the utilized model provides a physically sound mechanism to capture the experimentally observed T/C asymmetry in nc- and ufg-metals. © 2010 Elsevier B.V. All rights reserved.

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

Science.gov (United States)

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

2015-08-01

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

Study of Phase Transformations on Nano-Crystalline (La,Sr)(Mn,Fe)O3 Systems by High-Pressure Moessbauer Spectroscopy

International Nuclear Information System (INIS)

Chandra, Usha; Mudgal, Prerana; Kumar, Manoj

2006-01-01

We report pressure-dependent 57Fe Moessbauer studies on a nano-crystalline perovskite La0.8Sr0.2(Mn0.8Fe0.2) O3 system up to 10 GPa using diamond anvil cell. At ambient pressure, iron is present as Fe3+ and Fe4+ in two different environments. Pressure seems to affect the higher symmetry site of Fe4+, while the octahedral site containing Fe3+ remains almost unaffected. Phase transformations are observed at pressures 0.52 GPa and 3.7 GPa respectively. A sudden increase in the isomer shift at 0.52 GPa is related to the reduction of Fe4+ ions while at 3.7 GPa, a structural transition is observed with sudden drop in isomer shift indicating Fe3+ ions in identical environment. Quadrupole splittings increase continuously with pressures up to 10 GPa

Nanocrystallinity effects on osteoblast and osteoclast response to silicon substituted hydroxyapatite.

Science.gov (United States)

Casarrubios, Laura; Matesanz, María Concepción; Sánchez-Salcedo, Sandra; Arcos, Daniel; Vallet-Regí, María; Portolés, María Teresa

2016-11-15

Silicon substituted hydroxyapatites (SiHA) are highly crystalline bioceramics treated at high temperatures (about 1200°C) which have been approved for clinical use with spinal, orthopedic, periodontal, oral and craniomaxillofacial applications. The preparation of SiHA with lower temperature methods (about 700°C) provides nanocrystalline SiHA (nano-SiHA) with enhanced bioreactivity due to higher surface area and smaller crystal size. The aim of this study has been to know the nanocrystallinity effects on the response of both osteoblasts and osteoclasts (the two main cell types involved in bone remodelling) to silicon substituted hydroxyapatite. Saos-2 osteoblasts and osteoclast-like cells (differentiated from RAW-264.7 macrophages) have been cultured on the surface of nano-SiHA and SiHA disks and different cell parameters have been evaluated: cell adhesion, proliferation, viability, intracellular content of reactive oxygen species, cell cycle phases, apoptosis, cell morphology, osteoclast-like cell differentiation and resorptive activity. This comparative in vitro study evidences that nanocrystallinity of SiHA affects the cell/biomaterial interface inducing bone cell apoptosis by loss of cell anchorage (anoikis), delaying osteoclast-like cell differentiation and decreasing the resorptive activity of this cell type. These results suggest the potential use of nano-SiHA biomaterial for preventing bone resorption in treatment of osteoporotic bone. Copyright © 2016 Elsevier Inc. All rights reserved.

Solution equilibrium behind the room-temperature synthesis of nanocrystalline titanium dioxide

Science.gov (United States)

Seisenbaeva, Gulaim A.; Daniel, Geoffrey; Nedelec, Jean-Marie; Kessler, Vadim G.

2013-03-01

Formation of nanocrystalline and monodisperse TiO2 from a water soluble and stable precursor, ammonium oxo-lactato-titanate, (NH4)8Ti4O4(Lactate)8.4H2O, often referred to as TiBALDH or TALH, is demonstrated to be due to a coordination equilibrium. This compound, individual in the solid state, exists in solution in equilibrium with ammonium tris-lactato-titanate, (NH4)2Ti(Lactate)3 and uniform crystalline TiO2 nanoparticles (anatase) stabilized by surface-capping with lactate ligands. This equilibrium can be shifted towards nano-TiO2via application of a less polar solvent like methanol or ethanol, dilution of the solution, introduction of salts or raising the temperature, and reverted on addition of polar and strongly solvating media such as dimethyl sulfoxide, according to NMR. Aggregation and precipitation of the particles were followed by DLS and could be achieved by a decrease in their surface charge by adsorption of strongly hydrogen-bonding cations, e.g. in solutions of ammonia, ethanolamine or amino acid arginine or by addition of ethanol. The observed equilibrium may be involved in formation of nano-titania on the surface of plant roots exerting chelating organic carboxylate ligands and thus potentially influencing plant interactions.Formation of nanocrystalline and monodisperse TiO2 from a water soluble and stable precursor, ammonium oxo-lactato-titanate, (NH4)8Ti4O4(Lactate)8.4H2O, often referred to as TiBALDH or TALH, is demonstrated to be due to a coordination equilibrium. This compound, individual in the solid state, exists in solution in equilibrium with ammonium tris-lactato-titanate, (NH4)2Ti(Lactate)3 and uniform crystalline TiO2 nanoparticles (anatase) stabilized by surface-capping with lactate ligands. This equilibrium can be shifted towards nano-TiO2via application of a less polar solvent like methanol or ethanol, dilution of the solution, introduction of salts or raising the temperature, and reverted on addition of polar and strongly solvating

Hydrothermal synthesis of fluorinated anatase TiO{sub 2}/reduced graphene oxide nanocomposites and their photocatalytic degradation of bisphenol A

Energy Technology Data Exchange (ETDEWEB)

Luo, Lijun [Key Laboratory of Medicinal Chemistry for Natural Resource, Ministry of Education, School of Chemical Science and Technology, Yunnan University, Kunming, 650091 (China); Faculty of Environmental Science and Engineering, Kunming University of Science and Technology, Kunming, 650093 (China); Key Laboratory of Resource Clean Conversion in Ethnic Regions, Education Department of Yunnan, School of Chemistry and Biotechnology, Yunnan MinZu University, Kunming, 650500 (China); Yang, Ye [Faculty of Environmental Science and Engineering, Kunming University of Science and Technology, Kunming, 650093 (China); Zhang, Ali [Key Laboratory of Medicinal Chemistry for Natural Resource, Ministry of Education, School of Chemical Science and Technology, Yunnan University, Kunming, 650091 (China); Wang, Min; Liu, Yongjun; Bian, Longchun [Advanced Analysis and Measurement Center, Yunnan University, Kunming, 650091 (China); Jiang, Fengzhi, E-mail: fengzhij@ynu.edu.cn [Key Laboratory of Medicinal Chemistry for Natural Resource, Ministry of Education, School of Chemical Science and Technology, Yunnan University, Kunming, 650091 (China); Pan, Xuejun [Faculty of Environmental Science and Engineering, Kunming University of Science and Technology, Kunming, 650093 (China)

2015-10-30

Graphical abstract: - Highlights: • F–TiO{sub 2}–RGO nanocomposites were synthesized via hydrothermal method. • Presence of F ion prevents phase transformation from anatase to rutile. • The adsorbed F{sup −} and RGO improve the photocatalytic activity of TiO{sub 2} synergistically. • The F–TiO{sub 2}–RGO nanocomposites were applied to degrade bisphenol A. - Abstract: The surface fluorinated TiO{sub 2}/reduced graphene oxide nanocomposites (denoted as F–TiO{sub 2}–RGO) were synthesized via hydrothermal method. The as-prepared materials were characterized by transmission electron microscopy (TEM), X-ray diffractometer (XRD), Raman spectroscopy, Fourier Transform Infrared spectra (FTIR), X-ray photoelectron spectroscopy (XPS) and X-ray fluorescence (XRF). The results showed that pure anatase TiO{sub 2} particles were anchored on the surface of reduced graphene oxide. And the HF added during the preparation process can not only prevent phase transformation from anatase to rutile, but also the F{sup −} ion adsorbed on the surface of TiO{sub 2}–RGO surface can enhance photocatalytic activity of F–TiO{sub 2}–RGO. The photocatalytic activities of F–TiO{sub 2}–RGO nanocomposites were evaluated by decomposing bisphenol A under UV light illumination. Under optimal degradation condition, the degradation rate constant of BPA over F–TiO{sub 2}–10RGO (0.01501 min{sup −1}) was 3.41 times than that over P25 (0.00440 min{sup −1}). The result indicated that the enhanced photocatalytic activity of F–TiO{sub 2}–10RGO was ascribed to the adsorbed F ion and RGO in F–TiO{sub 2}–RGO composite, which can reduce the recombination rate of the photo-generated electrons and holes synergistically.

Bimodal microstructure and deformation of cryomilled bulk nanocrystalline Al-7.5Mg alloy

International Nuclear Information System (INIS)

Lee, Z.; Witkin, D.B.; Radmilovic, V.; Lavernia, E.J.; Nutt, S.R.

2005-01-01

The microstructure, mechanical properties and deformation response of bimodal structured nanocrystalline Al-7.5Mg alloy were investigated. Grain refinement was achieved by cryomilling of atomized Al-7.5Mg powders, and then cryomilled nanocrystalline powders blended with 15 and 30% unmilled coarse-grained powders were consolidated by hot isostatic pressing followed by extrusion to produce bulk nanocrystalline alloys. Bimodal bulk nanocrystalline Al-7.5Mg alloys, which were comprised of nanocrystalline grains separated by coarse-grain regions, show balanced mechanical properties of enhanced yield and ultimate strength and reasonable ductility and toughness compared to comparable conventional alloys and nanocrystalline metals. The investigation of tensile and hardness test suggests unusual deformation mechanisms and interactions between ductile coarse-grain bands and nanocrystalline regions

Evaluation of biological activities of nanocrystalline zirconia synthesis via combustion method

International Nuclear Information System (INIS)

Thakare, V.G.; Omanwar, S.K.; Bhatkar, V.B.; Wadegaokar, P.A.

2016-01-01

The objective of the following study was synthesis of nanocrystalline zirconia by modified solution combustion synthesis method and evaluation of its structural and biological properties. The sample was characterized by powder X-ray diffraction (XRD), Field Emission Scanning Electron Microscopy (FESEM) and evaluated for cytotoxicity study using 3T3 mouse fibroblast cells, the antibacterial property are investigated by spread plate method against E. coli bacterial pathogen and studied for degradation using phosphate buffered saline (PBS) solution. The XRD pattern shows that the monoclinic phase of nanocrystalline zirconia was obtained. The FESEM images showed that the prepared sample consists of particles in the range of 45 nm and homogenous particle size distribution. The sample of zirconia has excellent tissue biocompatibility and does not show any toxicity towards normal 3T3 mouse fibroblast cells. It also inhibited the bacterial growth. The sample shows stability at physiological condition and does not show degradation. (author)

30 CFR 77.905 - Connection of single-phase loads.

Science.gov (United States)

2010-07-01

... COAL MINES Low- and Medium-Voltage Alternating Current Circuits § 77.905 Connection of single-phase loads. Single-phase loads shall be connected phase-to-phase in resistance grounded systems. ...

Synthesis of nanocrystalline hydroxyapatite by using precipitation method

International Nuclear Information System (INIS)

Mobasherpour, I.; Heshajin, M. Soulati; Kazemzadeh, A.; Zakeri, M.

2007-01-01

In this investigation, hydroxyapatite powder has been synthesized from the calcium nitrate hydrated and di-ammonium hydrogen phosphate solution by precipitation method and heat treatment of hydroxyapatite powders. In order to study the structural evolution, the Fourier transform infrared spectroscopy (FTIR), the X-ray diffraction (XRD) and simultaneous thermal analysis (STA) were used. Transmission electron microscopy (TEM) and scanning electron microscopy (SEM) were used to estimate the particle size of the powder and observe the morphology and agglomeration state of the powder. Results show that hydroxyapatite nanocrystalline can successfully be produced by precipitation technique from raw materials. Hydroxyapatite grain gradually increased in size when temperature increased from 100 to 1200 o C, and the hydroxyapatite hexagonal-dipyramidal phase was not transformed to the other calcium phosphates phases up to 1200 o C

Induced magnetic anisotropy in Si-free nanocrystalline soft magnetic materials: A transmission x-ray diffraction study

International Nuclear Information System (INIS)

Parsons, R.; Suzuki, K.; Yanai, T.; Kishimoto, H.; Kato, A.; Ohnuma, M.

2015-01-01

In order to better understand the origin of field-induced anisotropy (K u ) in Si-free nanocrystalline soft magnetic alloys, the lattice spacing of the bcc-Fe phase in nanocrystalline Fe 94−x Nb 6 B x (x = 10, 12, 14) alloys annealed under an applied magnetic field has been investigated by X-ray diffraction in transmission geometry (t-XRD) with the diffraction vector parallel and perpendicular to the field direction. The saturation magnetostriction (λ s ) of nanocrystalline Fe 94−x Nb 6 B x was found to increase linearly with the volume fraction of the residual amorphous phase and is well described by taking into account the volume-weighted average of two local λ s values for the bcc-Fe nanocrystallites (−5 ± 2 ppm) and the residual amorphous matrix (+8 ± 2 ppm). The lattice distortion required to produce the measured K u values (∼100 J/m 3 ) was estimated via the inverse magnetostrictive effect using the measured λ s values and was compared to the lattice spacing estimations made by t-XRD. The lattice strain required to produce K u under the magnetoelastic model was not observed by the t-XRD experiments and so the findings of this study suggest that the origin of magnetic field induced K u cannot be explained through the magnetoelastic effect

Synthesis of reduced graphene oxide-anatase TiO2 nanocomposite and its improved photo-induced charge transfer properties.

Science.gov (United States)

Wang, Ping; Zhai, Yueming; Wang, Dejun; Dong, Shaojun

2011-04-01

The construction of reduced graphene oxide or graphene oxide with semiconductor has gained more and more attention due to its unexpected optoelectronic and electronic properties. The synthesis of reduced graphene oxide (RGO) or graphene oxide-semiconductor nanocomposite with well-dispersed decorated particles is still a challenge now. Herein, we demonstrate a facile method for the synthesis of graphene oxide-amorphous TiO(2) and reduced graphene oxide-anatase TiO(2) nanocomposites with well-dispersed particles. The as-synthesized samples were characterized by transmission electron microscopy, X-ray diffraction, X-ray photoelectron spectroscopy, UV-Vis absorption spectroscopy, Fourier transform infrared spectrometry, and thermogravimetric analysis. The photovoltaic properties of RGO-anatase TiO(2) were also compared with that of similar sized anatase TiO(2) by transient photovoltage technique, and it was interesting to find that the combination of reduced graphene oxide with anatase TiO(2) will significantly increase the photovoltaic response and retard the recombination of electron-hole pairs in the excited anatase TiO(2).

30 CFR 77.806 - Connection of single-phase loads.

Science.gov (United States)

2010-07-01

... COAL MINES Surface High-Voltage Distribution § 77.806 Connection of single-phase loads. Single-phase loads, such as transformer primaries, shall be connected phase to phase in resistance grounded systems. ...

Comparative Study of Phase Transformation in Single-Crystal Germanium during Single and Cyclic Nanoindentation

Directory of Open Access Journals (Sweden)

Koji Kosai

2017-11-01

Full Text Available Single-crystal germanium is a semiconductor material which shows complicated phase transformation under high pressure. In this study, new insight into the phase transformation of diamond-cubic germanium (dc-Ge was attempted by controlled cyclic nanoindentation combined with Raman spectroscopic analysis. Phase transformation from dc-Ge to rhombohedral phase (r8-Ge was experimentally confirmed for both single and cyclic nanoindentation under high loading/unloading rates. However, compared to single indentation, double cyclic indentation with a low holding load between the cycles caused more frequent phase transformation events. Double cyclic indentation caused more stress in Ge than single indentation and increased the possibility of phase transformation. With increase in the holding load, the number of phase transformation events decreased and finally became less than that under single indentation. This phenomenon was possibly caused by defect nucleation and shear accumulation during the holding process, which were promoted by a high holding load. The defect nucleation suppressed the phase transformation from dc-Ge to r8-Ge, and shear accumulation led to another phase transformation pathway, respectively. A high holding load promoted these two phenomena, and thus decreased the possibility of phase transformation from dc-Ge to r8-Ge.

protoDUNE-Single Phase and protDUNE-DualPhase

CERN Multimedia

Brice, Maximilien

2016-01-01

At the EHN1 two big 8m x 8m x8m detector prototypes (protoDUNE-Single Phase and protDUNE-DualPhase) are being constructed. The aim is to test technologies and detector performances for DUNE, a new generation of LBN neutr

Determination of X-Ray Diffraction on the Phase Transformation of Microwave-Assisted Titanate Nanotubes during Thermal Treatment

Directory of Open Access Journals (Sweden)

Hsin-Hung Ou

2010-01-01

Full Text Available Based on the determination of X-ray powder diffraction, this study aims to investigate the thermal effect on the phase transformation of microwave-assisted titanate nanotubes (MTNTs. The phase transformation is highly dependent on the intercalating amount of Na(I within MTNTs and on the heating atmosphere. In other words, the presence of Na(I favors the transformation of TNTs phase into Na2Ti6O13 whereas anatase phase selectively formed in the case of MTNTs with less Na(I amount. Furthermore, H2 versus O2 is able to form anatase phase and establish a newly transformation pathway. The photocatalytic ability of the calcined MTNTs was also evaluated based on the observed rate constant of trichloroethylene degradation. In addition to anatase phase, the newly phase including Na2Ti6O13 and Ti2O3 with calcined MTNTs is able to photocatalyze trichloroethylene. MTNTs calcined with the presence of H2 also exhibit a superior photocatalytic performance to P25 TiO2.

Preparation of anatase TiO2 thin films by vacuum arc plasma evaporation

International Nuclear Information System (INIS)

Miyata, Toshihiro; Tsukada, Satoshi; Minami, Tadatsugu

2006-01-01

Anatase titanium dioxide (TiO 2 ) thin films with high photocatalytic activity have been prepared with deposition rates as high as 16 nm/min by a newly developed vacuum arc plasma evaporation (VAPE) method using sintered TiO 2 pellets as the source material. Highly transparent TiO 2 thin films prepared at substrate temperatures from room temperature to 400 deg. C exhibited photocatalytic activity, regardless whether oxygen (O 2 ) gas was introduced during the VAPE deposition. The highest photocatalytic activity and photo-induced hydrophilicity were obtained in anatase TiO 2 thin films prepared at 300 deg. C, which correlated to the best crystallinity of the films, as evidenced from X-ray diffraction. In addition, a transparent and conductive anatase TiO 2 thin film with a resistivity of 2.6 x 10 -1 Ω cm was prepared at a substrate temperature of 400 deg. C without the introduction of O 2 gas

Phase Equilibrium of TiO2 Nanocrystals in Flame-Assisted Chemical Vapor Deposition.

Science.gov (United States)

Liu, Changran; Camacho, Joaquin; Wang, Hai

2018-01-19

Nano-scale titanium oxide (TiO 2 ) is a material useful for a wide range of applications. In a previous study, we showed that TiO 2 nanoparticles of both rutile and anatase crystal phases could be synthesized over the size range of 5 to 20 nm in flame-assisted chemical vapor deposition. Rutile was unexpectedly dominant in oxygen-lean synthesis conditions, whereas anatase is the preferred phase in oxygen-rich gases. The observation is in contrast to the 14 nm rutile-anatase crossover size derived from the existing crystal-phase equilibrium model. In the present work, we made additional measurements over a wider range of synthesis conditions; the results confirm the earlier observations. We propose an improved model for the surface energy that considers the role of oxygen desorption at high temperatures. The model successfully explains the observations made in the current and previous work. The current results provide a useful path to designing flame-assisted chemical vapor deposition of TiO 2 nanocrystals with controllable crystal phases. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Amorphous and nanocrystalline titanium nitride and carbonitride materials obtained by solution phase ammonolysis of Ti(NMe2)4

International Nuclear Information System (INIS)

Jackson, Andrew W.; Shebanova, Olga; Hector, Andrew L.; McMillan, Paul F.

2006-01-01

Solution phase reactions between tetrakisdimethylamidotitanium (Ti(NMe 2 ) 4 ) and ammonia yield precipitates with composition TiC 0.5 N 1.1 H 2.3 . Thermogravimetric analysis (TGA) indicates that decomposition of these precursor materials proceeds in two steps to yield rocksalt-structured TiN or Ti(C,N), depending upon the gas atmosphere. Heating to above 700 deg. C in NH 3 yields nearly stoichiometric TiN. However, heating in N 2 atmosphere leads to isostructural carbonitrides, approximately TiC 0.2 N 0.8 in composition. The particle sizes of these materials range between 4-12 nm. Heating to a temperature that corresponds to the intermediate plateau in the TGA curve (450 deg. C) results in a black powder that is X-ray amorphous and is electrically conducting. The bulk chemical composition of this material is found to be TiC 0.22 N 1.01 H 0.07 , or Ti 3 (C 0.17 N 0.78 H 0.05 ) 3.96 , close to Ti 3 (C,N) 4 . Previous workers have suggested that the intermediate compound was an amorphous form of Ti 3 N 4 . TEM investigation of the material indicates the presence of nanocrystalline regions x (C,N) y crystalline phases

Effects of grain size and grain boundaries on defect production in nanocrystalline 3C-SiC

International Nuclear Information System (INIS)

Swaminathan, N.; Kamenski, Paul J.; Morgan, Dane; Szlufarska, Izabela

2010-01-01

Cascade simulations in single crystal and nanocrystalline SiC have been conducted in order to determine the role of grain boundaries and grain size on defect production during primary radiation damage. Cascades are performed with 4 and 10 keV silicon as the primary knock-on atom (PKA). Total defect production is found to increase with decreasing grain size, and this effect is shown to be due to increased production in grain boundaries and changing grain boundary volume fraction. In order to consider in-grain defect production, a new mapping methodology is developed to properly normalize in-grain defect production rates for nanocrystalline materials. It is shown that the presence of grain boundaries does not affect the total normalized in-grain defect production significantly (the changes are lower than ∼20%) for the PKA energies considered. Defect production in the single grain containing the PKA is also studied and found to increase for smaller grain sizes. In particular, for smaller grain sizes the defect production decreases with increasing distance from the grain boundary while for larger grain sizes the presence of the grain boundaries has negligible effect on defect production. The results suggest that experimentally observed changes in radiation resistance of nanocrystalline materials may be due to long-term damage evolution rather than changes in defect production rates from primary damage.

High-speed jet electrodeposition and microstructure of nanocrystalline Ni-Co alloys

International Nuclear Information System (INIS)

Qiao Guiying; Jing Tianfu; Wang Nan; Gao Yuwei; Zhao Xin; Zhou Jifeng; Wang Wei

2005-01-01

The jet electrodeposition from watts baths with a device of electrolyte jet was carried out to prepare nano-crystalline cobalt-nickel alloys. The influence of the concentration of Co 2+ ions in the electrolyte and electrolysis parameters, such as the cathodic current density, the temperature as well as the electrolyte jet speed, on the chemistry and microstructure of Ni-Co-deposit alloys were investigated. Experimental results indicated that increasing the Co 2+ ions concentration in the bath, the electrolyte jet speed and decreasing of the cathodic current density and decrease of the electrolyte temperature all results in an increase of cobalt content in the alloy. Detailed microstructure changes upon the changes of alloy composition and experimental conditions were characterized using X-ray diffraction (XRD) and transmission electron microscopy (TEM). XRD results show the Ni-Co solid solution was formed through the jet electrodeposition. Phase constitution of solid solution changes progressively under different electrolyte concentration. Alloys with low Co concentration exhibit single phase of face-centered cubic (fcc) structure; The Co concentration over 60.39 wt.%, the alloys are composed of face-centered cubic (fcc) phase and hexagonal close-packed (hcp) phase. Furthermore, the formation of the nanostructured Ni-Co alloy deposit is investigated. Increasing the Co 2+ ions concentration in the bath, the cathodic current density, the electrolyte temperature and the electrolyte jet speed all result in the finer grains in the deposits. Additives such as saccharin in the electrolyte also favor the formation of the finer grains in the alloy deposits

Microstructure and physical properties of laser Zn modified amorphous-nanocrystalline coating on a titanium alloy

Science.gov (United States)

Li, Jia-Ning; Gong, Shui-Li; Shi, Yi-Ning; Suo, Hong-Bo; Wang, Xi-Chang; Deng, Yun-Hua; Shan, Fei-Hu; Li, Jian-Quan

2014-02-01

A Zn modified amorphous-nanocrystalline coating was fabricated on a Ti-6Al-4V alloy by laser cladding of the Co-Ti-B4C-Zn-Y2O3 mixed powders. Such coating was researched by means of a scanning electron microscope (SEM) and a high resolution transmission electron microscope (HRTEM), etc. Experimental results indicated that the Co5Zn21 and TiB2 nanocrystalline phases were produced through in situ metallurgical reactions, which blocked the motion of dislocation, and TiB2 grew along (010), (111) and (024). The Co5Zn21 nanocrystals were produced attached to the ceramics, which mainly consisted of the Co nanoparticles embedded in a heterogeneous zinc, and had varied crystalline orientations.

Structure and magnetic properties of highly textured nanocrystalline Mn–Zn ferrite thin film

Energy Technology Data Exchange (ETDEWEB)

Joseph, Jaison, E-mail: jaisonjosephp@gmail.com [Department of Physics, Goverment College, Khandola, Goa 403107 India (India); Tangsali, R.B. [Department of Physics, Goa University, Taleigao Plateau, Goa 403206 India (India); Pillai, V.P. Mahadevan [Department of Optoelectronics, University of Kerala,Thiruvananthapuram, Kerala 695581 India (India); Choudhary, R.J.; Phase, D.M.; Ganeshan, V. [UGC-DAE-CSR Indore, Madhya Pradesh 452017 India. (India)

2015-01-01

Nanoparticles of Mn{sub 0.2}Zn{sub 0.8}Fe{sub 2}O{sub 4} were chemically synthesized by co-precipitating the metal ions in aqueous solutions in a suitable alkaline medium. The identified XRD peaks confirm single phase spinal formation. The nanoparticle size authentication is carried out from XRD data using Debye Scherrer equation. Thin film fabricated from this nanomaterial by pulse laser deposition technique on quartz substrate was characterized using XRD and Raman spectroscopic techniques. XRD results revealed the formation of high degree of texture in the film. AFM analysis confirms nanogranular morphology and preferred directional growth. A high deposition pressure and the use of a laser plume confined to a small area for transportation of the target species created certain level of porosity in the deposited thin film. Magnetic property measurement of this highly textured nanocrystalline Mn–Zn ferrite thin film revealed enhancement in properties, which are explained on the basis of texture and surface features originated from film growth mechanism.

Unexpectedly normal phase behavior of single homopolymer chains

International Nuclear Information System (INIS)

Paul, W.; Strauch, T.; Rampf, F.; Binder, K.

2007-01-01

Employing Monte Carlo simulations, we show that the topology of the phase diagram of a single flexible homopolymer chain changes in dependence on the range of an attractive square well interaction between the monomers. For a range of attraction larger than a critical value, the equilibrium phase diagram of the single polymer chain and the corresponding polymer solution phase diagram exhibit vapor (swollen coil, dilute solution), liquid (collapsed globule, dense solution), and solid phases. Otherwise, the liquid-vapor transition vanishes from the equilibrium phase diagram for both the single chain and the polymer solution. This change in topology of the phase diagram resembles the behavior known for colloidal dispersions. The interplay of enthalpy and conformational entropy in the polymer case thus can lead to the same topology of phase diagrams as the interplay of enthalpy and translational entropy in simple liquids

Electrical conductivity studies of nanocrystalline lanthanum silicate synthesized by sol-gel route

International Nuclear Information System (INIS)

Nallamuthu, N.; Prakash, I.; Satyanarayana, N.; Venkateswarlu, M.

2011-01-01

Research highlights: → Nanocrystalline La 10 Si 6 O 27 material was synthesized by sol-gel method. → TG/DTA curves predicted the thermal behavior of the material. → FTIR spectra confirmed the formation of SiO 4 and La-O network in the La 10 Si 6 O 27 . → XRD patterns confirmed the formation of pure crystalline La 10 Si 6 O 27 phase. → The grain interior and the grain boundary conductivities are evaluated. - Abstract: Nanocrystalline apatite type structured lanthanum silicate (La 10 Si 6 O 27 ) sample was synthesized by sol-gel process. Thermal behavior of the dried gel of lanthanum silicate sample was studied using TG/DTA. The structural coordination of the dried gel of lanthanum silicate, calcined at various temperatures, was identified from the observed FTIR spectral results. The observed XRD patterns of the calcined dried gel were compared with the ICDD data and confirmed the formation of crystalline lanthanum silicate phase. The average crystalline size of La 10 Si 6 O 27 was calculated using the Scherrer formula and it is found to be ∼80 nm. The observed SEM images of the lanthanum silicate indicate the formation of the spherical particles and the existence of O, Si and La in the lanthanum silicate are confirmed from the SEM-EDX spectrum. The grain and grain boundary conductivities are evaluated by analyzing the measured impedance data, using winfit software, obtained at different temperatures, of La 10 Si 6 O 27 sample. Also, the observed grain and grain boundary conductivity behaviors of the La 10 Si 6 O 27 sample are analysed using brick layer model. The electrical permittivity and electrical modulus were calculated from the measured impedance data and were analyzed by fitting through the Havriliak and Negami function to describe the dielectric relaxation behavior of the nanocrystalline lanthanum silicate.

Equivalence of two models in single-phase multicomponent flow simulations

KAUST Repository

Wu, Yuanqing

2016-02-28

In this work, two models to simulate the single-phase multicomponent flow in reservoirs are introduced: single-phase multicomponent flow model and two-phase compositional flow model. Because the single-phase multicomponent flow is a special case of the two-phase compositional flow, the two-phase compositional flow model can also simulate the case. We compare and analyze the two models when simulating the single-phase multicomponent flow, and then demonstrate the equivalence of the two models mathematically. An experiment is also carried out to verify the equivalence of the two models.

Equivalence of two models in single-phase multicomponent flow simulations

KAUST Repository

Wu, Yuanqing; Sun, Shuyu

2016-01-01

In this work, two models to simulate the single-phase multicomponent flow in reservoirs are introduced: single-phase multicomponent flow model and two-phase compositional flow model. Because the single-phase multicomponent flow is a special case of the two-phase compositional flow, the two-phase compositional flow model can also simulate the case. We compare and analyze the two models when simulating the single-phase multicomponent flow, and then demonstrate the equivalence of the two models mathematically. An experiment is also carried out to verify the equivalence of the two models.

Mesoporous anatase TiO2/reduced graphene oxide nanocomposites: A simple template-free synthesis and their high photocatalytic performance

International Nuclear Information System (INIS)

Zhou, Qi; Zhong, Yong-Hui; Chen, Xing; Huang, Xing-Jiu; Wu, Yu-Cheng

2014-01-01

Graphical abstract: - Highlights: • Mesoporous TiO 2 nanoparticles with anatase phase were assembled on reduced graphene oxide via a template-free one-step hydrothermal method. • The TiO 2 /rGO nanocomposites have better adsorption capacity and photocatalytic degradation efficiency for dyes removal. • Improved dye adsorption and photogenerated charge separation are responsible for enhanced activity. - Abstract: Mesoporous anatase phase TiO 2 was assembled on reduced graphene oxide (rGO) using a template-free one-step hydrothermal process. The nanocomposites were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), Raman spectroscopy, and Brunauer–Emmett–Teller (BET) surface area. Morphology of TiO 2 was related to the content of graphene oxide. TiO 2 /rGO nanocomposites exhibited excellent photocatalytic activity for the photo-degradation of methyl orange. The degradation rate was 4.5 times greater than that of pure TiO 2 nanoparticles. This difference was attributed to the thin two-dimensional graphene sheet. The graphene sheet had a large surface area, high adsorption capacity, and acted as a good electron acceptor for the transfer of photo-generated electrons from the conduction band of TiO 2 . The enhanced surface adsorption characteristics and excellent charge transport separation were independent properties of the photocatalytic degradation process

Sol-Gel-Assisted Microwave-Derived Synthesis of Anatase Ag/TiO2/GO Nanohybrids toward Efficient Visible Light Phenol Degradation

Directory of Open Access Journals (Sweden)

E. H. Alsharaeh

2017-05-01

Full Text Available Abstract: A simple microwave-assisted (MWI wet chemical route to synthesize pure anatase phase titanium dioxide (TiO2 nanoparticles (NPs is reported here using titanium tetrachloride (TiCl4 as starting material. The as-prepared TiO2 NPs were characterized by electron microscopy, X-ray diffraction, UV/visible absorption spectroscopy, and infrared and Raman spectroscopic techniques. Further modification of the anatase TiO2 NPs was carried out by incorporating plasmonic silver (Ag NPs and graphene oxide (GO in order to enhance the visible light absorption. The photocatalytic activities of the anatase TiO2, Ag/TiO2, and Ag/TiO2/GO nanocomposites were evaluated under both ultraviolet (UV and visible light irradiation using phenol as a model contaminant. The presence of Ag NPs was found to play a significant role to define the photocatalytic activity of the Ag/TiO2/GO nanocomposite. It was found that the Ag performed like a sink under UV excitation and stored photo-generated electrons from TiO2, whereas, under visible light excitation, the Ag acted as a photosensitizer enhancing the photocatalytic activity of the nanocomposite. The detailed mechanism was studied based on photocatalytic activities of Ag/TiO2/GO nanocomposites. Therefore, the as-prepared Ag/TiO2/GO nanocomposite was used as photocatalytic materials under both UV and visible light irradiation toward degradation of organic molecules.

Single-phase high-entropy alloys. An overview

Energy Technology Data Exchange (ETDEWEB)

Kozak, Roksolana; Steurer, Walter [ETH Zurich (Switzerland). Lab. of Crystallography; Sologubenko, Alla [ETH Zurich (Switzerland). Lab. of Nanotechnology

2015-02-01

The term 'high-entropy alloys (HEAs)' first appeared about 10 years ago defining alloys composed of n=5-13 principal elements with concentrations of approximately 100/n at.% each. Since then many equiatomic (or near equiatomic) single- and multi-phase multicomponent alloys were developed, which are reported for a combination of tunable properties: high hardness, strength and ductility, oxidation and wear resistance, magnetism, etc. In our paper, we focus on probably single-phase HEAs (solid solutions) out of all HEAs studied so far, discuss ways of their prediction, mechanical properties. In contrast to classical multielement/multiphase alloys, only single-phase multielement alloys (solid solutions) represent the basic concept underlying HEAs as mixing-entropy stabilized homogenous materials. The literature overview is complemented by own studies demonstrating that the alloys CrFeCoNi, CrFeCoNiAl{sub 0.3} and PdFeCoNi homogenized at 1300 and 1100 C, respectively, for 1 week are not single-phase HEAs, but a coherent mixture of two solid solutions.

XAFS Study of Epitaxial CoxTi1-xO2-x Anatase

International Nuclear Information System (INIS)

Heald, S.M.; Chambers, S.A.; Droubay, T.

2009-01-01

Co doped TiO 2 -anatase is a promising candidate for a room-temperature ferromagnetic semiconductor. XAFS measurements have been used to investigate the local Co environment and Co valence for several Co-anatase films. The samples were grown on LaAlO 3 (001) by oxygen plasma assisted molecular beam epitaxy and on SrTiO 3 by atomic oxygen assisted MBE. Co concentrations were about 5%. The measurements were made at the PNC-CAT bending magnet and undulator beamlines at the Advanced Photon Source. For the films on LaAlO 3 , the near edge clearly shows the presence of only Co(2+), and no evidence for metallic Co, while the films on SrTiO 3 showed significant metallic Co. Analysis of the extended fine structure for the LaAlO 3 films finds that the Co substitutes for Ti with some distortion of the lattice. Both in-plane and out-of-plane Co-O bonds are expanded from the Ti-O bonds in anatase. The in-plane bonds are expanded approximately twice as much. A deficit in the oxygen coordination number suggests a correlation of oxygen vacancies with Co sites.

Pressure Drop Correlations of Single-Phase and Two-Phase Flow in Rolling Tubes

International Nuclear Information System (INIS)

Xia-xin Cao; Chang-qi Yan; Pu-zhen Gao; Zhong-ning Sun

2006-01-01

A series of experimental studies of frictional pressure drop for single phase and two-phase bubble flow in smooth rolling tubes were carried out. The tube inside diameters were 15 mm, 25 mm and 34.5 mm respectively, the rolling angles of tubes could be set as 10 deg. and 20 deg., and the rolling periods could be set as 5 s, 10 s and 15 s. Combining with the analysis of single-phase water motion, it was found that the traditional correlations for calculating single-phase frictional coefficient were not suitable for the rolling condition. Based on the experimental data, a new correlation for calculating single-phase frictional coefficient under rolling condition was presented, and the calculations not only agreed well with the experimental data, but also could display the periodically dynamic characteristics of frictional coefficients. Applying the new correlation to homogeneous flow model, two-phase frictional pressure drop of bubble flow in rolling tubes could be calculated, the results showed that the relative error between calculation and experimental data was less than ± 25%. (authors)

Structural and photoluminescence study of Er-Yb codoped nanocrystalline ZrO{sub 2}-B{sub 2}O{sub 3} solid solution

Energy Technology Data Exchange (ETDEWEB)

Salas, P. [Centro de Fisica Aplicada y Tecnologia Avanzada, Universidad Nacional Autonoma de Mexico, A.P. 1-1010, Queretaro 76000 (Mexico); Borja-Urby, R. [Grupo de Espectroscopia de Materiales Avanzados y nanoestructurados (EMANA), Centro de Investigaciones en Optica, A. C., Loma del Bosque 115, Col. Lomas del Campestre, C.P. 37150 Leon, Gto. (Mexico); Diaz-Torres, L.A., E-mail: ditlacio@cio.mx [Grupo de Espectroscopia de Materiales Avanzados y nanoestructurados (EMANA), Centro de Investigaciones en Optica, A. C., Loma del Bosque 115, Col. Lomas del Campestre, C.P. 37150 Leon, Gto. (Mexico); Rodriguez, G. [Centro de Fisica Aplicada y Tecnologia Avanzada, Universidad Nacional Autonoma de Mexico, A.P. 1-1010, Queretaro 76000 (Mexico); Vega, M. [Centro de Geociencias, Universidad Nacional Autonoma de Mexico, A.P. 1-1010, Queretaro 76000 (Mexico); Angeles-Chavez, C. [Instituto Mexicano del Petroleo, Programa de Ingenieria Molecular, Eje Central Lazaro Cardenas 152, A.P. 14-805, 07730 Mexico, DF (Mexico)

2012-09-20

Codoped Er{sup 3+} and Yb{sup 3+} nanocrystalline ZrO{sub 2}-B{sub 2}O{sub 3} phosphor obtained by a modified sol-gel method is demonstrated. The addition of up to 2.5 mol% B{sub 2}O{sub 3} to nanocrystalline ZrO{sub 2}:Yb(2%), Er(1%) keep the tetragonal rare-earth stabilized ZrO{sub 2} phase; whereas higher B{sub 2}O{sub 3} content destabilize the tetragonal phase, leading to the tetragonal to monoclinic transition with no tetragonal ZrO{sub 2} phase segregation. Visible upconversion of the luminescent active ions, Er{sup 3+} and Yb{sup 3+}, depend strongly on B{sub 2}O{sub 3} content. The PL intensity is strongly quenched for high B{sub 2}O{sub 3} content due to increasing multiphonon relaxation processes related to B-O and B-O-B vibronic modes.

Carbon coated anatase TiO2 mesocrystals enabling ultrastable and robust sodium storage

Science.gov (United States)

Zhang, Weifeng; Lan, Tongbin; Ding, Tianli; Wu, Nae-Lih; Wei, Mingdeng

2017-08-01

Nanoporous anatase TiO2 mesocrystals with tunable architectures and crystalline phases were successfully fabricated in the presence of the butyl oleate and oleylamine. Especially, the introduced surfactants served as a carbon source, bring a uniform carbon layer (about 2-8 nm) for heightening the electronic conductivity. The carbon coated TiO2 mesocrystals assembled from crystalline tiny subunits have more space sites for sodium-ion storage. When the material was applied as an electrode material in rechargeable sodium-ion batteries, it exhibited a superior capacity of about 90 mA h g-1 at 20 C (1 C = 168 mA g-1) and a highly reversible capacity for 5000 cycles, which is the longest cycle life reported for sodium storage in TiO2 electrodes.

Functionalization of gold and nanocrystalline diamond atomic force microscope tips for single molecule force spectroscopy

Science.gov (United States)

Drew, Michael E.

The atomic force microscope (AFM) has fueled interest in nanotechnology because of its ability to image surfaces at the nanometer level and act as a molecular force sensor. Functionalization of the surface of an AFM tip surface in a stable, controlled manner expands the capabilities of the AFM and enables additional applications in the fields of single molecule force spectroscopy and nanolithography. Two AFM tip functionalizations are described: the assembly of tripodal molecular tips onto gold AFM tips and the photochemical attachment of terminal alkenes to nanocrystalline diamond (NCD) AFM tips. Two separate tripodal molecules with different linker lengths and a monopodal molecule terminated with biotin were synthesized to attach to a gold AFM tip for single molecule force spectroscopy. The immobilization of these molecules was examined by contact angle measurements, spectroscopic ellipsometry, infrared, and near edge x-ray absorption fine structure (NEXAFS) spectroscopy. All three molecules displayed rupture forces that agreed with previously reported values for the biotin--avidin rupture. The tripodal molecular tip displayed narrower distribution in their force histograms than the monopodal molecular tip. The performance of the tripodal molecular tip was compared to the monopodal molecular tip in single molecule force spectroscopy studies. Over repeated measurements, the distribution of forces for the monopodal molecular tip shifted to lower forces, whereas the distribution for the tripodal molecular tip remained constant throughout. Loading rate dependence and control experiments further indicated that the rupture forces of the tripod molecular tips were specific to the biotin--NeutrAvidin interaction. The second functionalization method used the photochemical attachment of undecylenic acid to NCD AFM tips. The photochemical attachment of undecylenic acid to hydrogen-terminated NCD wafer surfaces was investigated by contact angle measurements, x

Hydrogen content and density in nanocrystalline carbon films of a predominant diamond character

International Nuclear Information System (INIS)

Hoffman, A.; Heiman, A.; Akhvlediani, R.; Lakin, E.; Zolotoyabko, E.; Cyterman, C.

2003-01-01

Nanocrystalline carbon films possessing a prevailing diamond or graphite character, depending on substrate temperature, can be deposited from a methane hydrogen mixture by the direct current glow discharge plasma chemical vapor deposition method. While at a temperature of ∼880 deg. C, following the formation of a thin precursor graphitic film, diamond nucleation occurs and a nanodiamond film grows, at higher and lower deposition temperatures the films maintain their graphitic character. In this study the hydrogen content, density and nanocrystalline phase composition of films deposited at various temperatures are investigated. We aim to elucidate the role of hydrogen in nanocrystalline films with a predominant diamond character. Secondary ion mass spectroscopy revealed a considerable increase of the hydrogen concentration in the films that accompanies the growth of nanodiamond. It correlates with near edge x-ray adsorption spectroscopy measurements, that showed an appearance of spectroscopic features associated with the diamond structure, and with a substantial increase of the film density detected by x-ray reflectivity. Electron energy loss spectroscopy showed that nanocrystalline diamond films can be deposited from a CH 4 /H 2 mixture with hydrogen concentration in the 80%-95% range. For a deposition temperature of 880 deg. C, the highest diamond character of the films was found for a hydrogen concentration of 91% of H 2 . The deposition temperature plays an important role in diamond formation, strongly influencing the content of adsorbed hydrogen with an optimum at 880 deg. C. It is suggested that diamond nucleation and growth of the nanodiamond phase is driven by densification of the deposited graphitic films which results in high local compressive stresses. Nanodiamond formation is accompanied by an increase of hydrogen concentration in the films. It is suggested that hydrogen retention is critical for stabilization of nanodiamond crystallites. At lower

Induced magnetic anisotropy in Si-free nanocrystalline soft magnetic materials: A transmission x-ray diffraction study

Energy Technology Data Exchange (ETDEWEB)

Parsons, R., E-mail: rparsons01@gmail.com; Suzuki, K. [Department of Materials Science and Engineering, Monash University, Clayton, Victoria 3800 (Australia); Yanai, T. [Graduate School of Engineering, Nagasaki University, Nagasaki 852-8521 (Japan); Kishimoto, H.; Kato, A. [Toyota Motor Corporation, Mishuku, Susono, Shizuoka 410-1193 (Japan); Ohnuma, M. [Faculty and Graduate School of Engineering, Hokkaido University, Sapporo 060-8628 (Japan)

2015-05-07

In order to better understand the origin of field-induced anisotropy (K{sub u}) in Si-free nanocrystalline soft magnetic alloys, the lattice spacing of the bcc-Fe phase in nanocrystalline Fe{sub 94−x}Nb{sub 6}B{sub x} (x = 10, 12, 14) alloys annealed under an applied magnetic field has been investigated by X-ray diffraction in transmission geometry (t-XRD) with the diffraction vector parallel and perpendicular to the field direction. The saturation magnetostriction (λ{sub s}) of nanocrystalline Fe{sub 94−x}Nb{sub 6}B{sub x} was found to increase linearly with the volume fraction of the residual amorphous phase and is well described by taking into account the volume-weighted average of two local λ{sub s} values for the bcc-Fe nanocrystallites (−5 ± 2 ppm) and the residual amorphous matrix (+8 ± 2 ppm). The lattice distortion required to produce the measured K{sub u} values (∼100 J/m{sup 3}) was estimated via the inverse magnetostrictive effect using the measured λ{sub s} values and was compared to the lattice spacing estimations made by t-XRD. The lattice strain required to produce K{sub u} under the magnetoelastic model was not observed by the t-XRD experiments and so the findings of this study suggest that the origin of magnetic field induced K{sub u} cannot be explained through the magnetoelastic effect.

Green Strategy to Single Crystalline Anatase TiO 2 Nanosheets with Dominant (001) Facets and Its Lithiation Study toward Sustainable Cobalt-Free Lithium Ion Full Battery

KAUST Repository

Ming, Hai; Kumar, Pushpendra; Yang, Wenjing; Fu, Yu; Ming, Jun; Kwak, Won Jin; Li, Lain-Jong; Sun, Yang Kook; Zheng, Junwei

2015-01-01

A green hydrothermal strategy starting from the Ti powders was developed to synthesis a new kind of well dispersed anatase TiO nanosheets (TNSTs) with dominant (001) facets, successfully avoiding using the HF by choosing the safe substitutes of Li

Evaluation of structural, morphological and magnetic properties of CuZnNi (Cu_xZn_0_._5_−_xNi_0_._5Fe_2O_4) nanocrystalline ferrites for core, switching and MLCI’s applications

International Nuclear Information System (INIS)

Akhtar, Majid Niaz; Khan, Muhammad Azhar; Ahmad, Mukhtar; Nazir, M.S.; Imran, M.; Ali, A.; Sattar, A.; Murtaza, G.

2017-01-01

The influence of Cu substitution on the structural and morphological characteristics of Ni–Zn nanocrystalline ferrites have been discussed in this work. The detailed and systematic magnetic characterizations were also done for Cu substituted Ni–Zn nanoferrites. The nanocrystalline ferrites of Cu substituted Cu_xZn_0_._5_−_xNi_0_._5Fe_2O_4 ferrites (x=0, 0.1, 0.2, 0.3, 0.4 and 0.5) were synthesized using sol gel self-combustion hybrid method. X-ray diffraction (XRD), Field emission scanning electron microscopy (FESEM), Transmission electron microscope (TEM) and Vibrating sample magnetometer (VSM) were used to investigate the properties of Cu substituted nanocrystalline ferrites. Single phase structure of Cu substituted in Ni–Zn nanocrystalline ferrites were investigated for all the samples. Crystallite size, lattice constant and volume of the cell were found to increase by increasing Cu contents in spinel structure. The better morphology with well-organized nanocrystals of Cu–Zn–Ni ferrites at x=0 and 0.5 were observed from both FESEM and TEM analysis. The average grain size was 35–46 nm for all prepared nanocrystalline samples. Magnetic properties such as coercivity, saturation, remanence, magnetic squareness, magneto crystalline anisotropy constant (K) and Bohr magneton were measured from the recorded M–H loops. The magnetic saturation and remanence were increased by the incorporation of Cu contents. However, coercivity follow the Stoner-Wolforth model except for x=0.3 which may be due to the site occupancy and replacement of Cu contents from octahedral site. The squareness ratio confirmed the super paramgnetic behaviour of the Cu substituted in Ni–Zn nanocrystalline ferrites. Furthermore, Cu substituted Ni–Zn nanocrystalline ferrites may be suitable for many industrial and domestic applications such as components of transformers, core, switching, and MLCI’s due to variety of the soft magnetic characteristics. - Highlights: • Cu substituted

Low temperature self-assembled growth of rutile TiO2/manganese oxide nanocrystalline films

Science.gov (United States)

Sun, Zhenya; Zhou, Daokun; Du, Jianhua; Xie, Yuxing

2017-10-01

We report formation of rutile TiO2 nanocrystal at low temperature range in the presence of α-MnO2 which self-assembled onto sulfanyl radical activated silicon oxide substrate. SEM, HRTEM, XPS and Raman spectroscopy were used to study the morphology and oxidation state of synthesised crystals. The results showed that when the α-MnO2 was reduced to Mn3O4, it induced the formation of rutile instead of anatase phase in the TiCl4-HCl aqueous system. The finding will promote the understanding of phase transformation mechanism when manganese oxide and titanium oxide co-exist in soil and water environment.

Special cases of martensite compatibility: A near single-variant habit-plane and the martensite of nanocrystalline NiTi

Directory of Open Access Journals (Sweden)

Petersmann Manuel

2015-01-01

Full Text Available Lattice parameters measured near the high temperature (~1000°C bcc α to hcp β transformation in an intermetallic Mo-containing γ-TiAl based alloy indicate a middle valued eigenvalue of the corresponding deformation gradient near 1. Habit-planes calculated under the assumption of a simple slip as lattice invariant shear, agree with experimentally determined orientations of the lens like plates recorded via electron backscattering. By contrast, twinning as invariant lattice shear has been investigated in nanocrystalline NiTi. Here the grain size causes the formation mechanism of the martensite to change from a “herring-bone” morphology faciliting a habit-plane between two twinned laminates and the austenite to a single laminate, which in the nonlinear theory formally cannot form a habit-plane with the austenite. Since this might cause high accommodation strains, the effectiveness of stress accommodation of martensite formed in neighboring grains of a polycrystal is investigated. Subsequent numerical microstructural modeling is outlined. The resulting energetically most favorable transformation sequence yields the transformation kinetics.

Preparation of anatase TiO{sub 2} thin films by vacuum arc plasma evaporation

Energy Technology Data Exchange (ETDEWEB)

Miyata, Toshihiro [Optoelectronic Device System R and D Center, Kanazawa Institute of Technology, 7-1 Ohgigaoka, Nonoichi, Ishikawa 921-8501 (Japan)]. E-mail: tmiyata@neptune.kanazawa-it.ac.jp; Tsukada, Satoshi [Optoelectronic Device System R and D Center, Kanazawa Institute of Technology, 7-1 Ohgigaoka, Nonoichi, Ishikawa 921-8501 (Japan); Minami, Tadatsugu [Optoelectronic Device System R and D Center, Kanazawa Institute of Technology, 7-1 Ohgigaoka, Nonoichi, Ishikawa 921-8501 (Japan)

2006-02-01

Anatase titanium dioxide (TiO{sub 2}) thin films with high photocatalytic activity have been prepared with deposition rates as high as 16 nm/min by a newly developed vacuum arc plasma evaporation (VAPE) method using sintered TiO{sub 2} pellets as the source material. Highly transparent TiO{sub 2} thin films prepared at substrate temperatures from room temperature to 400 deg. C exhibited photocatalytic activity, regardless whether oxygen (O{sub 2}) gas was introduced during the VAPE deposition. The highest photocatalytic activity and photo-induced hydrophilicity were obtained in anatase TiO{sub 2} thin films prepared at 300 deg. C, which correlated to the best crystallinity of the films, as evidenced from X-ray diffraction. In addition, a transparent and conductive anatase TiO{sub 2} thin film with a resistivity of 2.6 x 10{sup -1} {omega} cm was prepared at a substrate temperature of 400 deg. C without the introduction of O{sub 2} gas.

Single-phase DECT with VNCT compared with three-phase CTU in patients with haematuria

Energy Technology Data Exchange (ETDEWEB)

Park, Jung Jae; Park, Byung Kwan; Kim, Chan Kyo [Sungkyunkwan University School of Medicine, Department of Radiology, Samsung Medical Center, Seoul (Korea, Republic of)

2016-10-15

To retrospectively evaluate the diagnostic performance of single-phase dual-energy CT (DECT) with virtual non-contrast CT (VNCT) compared with three-phase CT urography (CTU) in patients with haematuria. A total of 296 patients underwent three-phase CTU (NCT at 120 kVp; nephrographic phase and excretory phase DECTs at 140 kVp and 80 kVp) owing to haematuria. Diagnostic performances of CT scans were compared for detecting urothelial tumours and urinary stones. Dose-length product (DLP) was compared in relation to single-phase DECT and three-phase CTU Dose-length product (DLP) was compared in relation to single-phase DECT and three-phase CTU. Sensitivity and specificity for tumour were 95 % (19/20) and 98.9 % (273/276) on CTU, 95 % (19/20) and 98.2 % (271/276) on nephrographic phase DECT, and 90 % (18/20) and 98.2 % (271/276) on excretory phase DECT (P > 0.1). Of the 148 stones detected on NCT, 108 (73 %) and 100 (67.6 %) were detected on nephrographic phase and excretory phase VNCTs, respectively. The mean size of stones undetected on nephrographic and excretory VNCTs was measured as 1.5 ± 0.5 mm and 1.6 ± 0.6 mm, respectively. The mean DLPs of three-phase CTU, nephrographic phase DECT and excretory phase DECT were 1076 ± 248 mGy . cm, 410 ± 98 mGy . cm, and 360 ± 87 mGy . cm, respectively (P < 0.001). Single-phase DECT has a potential to replace three-phase CTU for detecting tumours with a lower radiation dose. (orig.)

Tailoring and patterning the grain size of nanocrystalline alloys

International Nuclear Information System (INIS)

Detor, Andrew J.; Schuh, Christopher A.

2007-01-01

Nanocrystalline alloys that exhibit grain boundary segregation can access thermodynamically stable or metastable states with the average grain size dictated by the alloying addition. Here we consider nanocrystalline Ni-W alloys and demonstrate that the W content controls the grain size over a very broad range: ∼2-140 nm as compared with ∼2-20 nm in previous work on strongly segregating systems. This trend is attributed to a relatively weak tendency for W segregation to the grain boundaries. Based upon this observation, we introduce a new synthesis technique allowing for precise composition control during the electrodeposition of Ni-W alloys, which, in turn, leads to precise control of the nanocrystalline grain size. This technique offers new possibilities for understanding the structure-property relationships of nanocrystalline solids, such as the breakdown of Hall-Petch strength scaling, and also opens the door to a new class of customizable materials incorporating patterned nanostructures

Protein-modified nanocrystalline diamond thin films for biosensor applications.

Science.gov (United States)

Härtl, Andreas; Schmich, Evelyn; Garrido, Jose A; Hernando, Jorge; Catharino, Silvia C R; Walter, Stefan; Feulner, Peter; Kromka, Alexander; Steinmüller, Doris; Stutzmann, Martin

2004-10-01

Diamond exhibits several special properties, for example good biocompatibility and a large electrochemical potential window, that make it particularly suitable for biofunctionalization and biosensing. Here we show that proteins can be attached covalently to nanocrystalline diamond thin films. Moreover, we show that, although the biomolecules are immobilized at the surface, they are still fully functional and active. Hydrogen-terminated nanocrystalline diamond films were modified by using a photochemical process to generate a surface layer of amino groups, to which proteins were covalently attached. We used green fluorescent protein to reveal the successful coupling directly. After functionalization of nanocrystalline diamond electrodes with the enzyme catalase, a direct electron transfer between the enzyme's redox centre and the diamond electrode was detected. Moreover, the modified electrode was found to be sensitive to hydrogen peroxide. Because of its dual role as a substrate for biofunctionalization and as an electrode, nanocrystalline diamond is a very promising candidate for future biosensor applications.

Synthesis and characterization of electrochemically deposited nanocrystalline CdTe thin films

Energy Technology Data Exchange (ETDEWEB)

Singh, Ragini Raj, E-mail: raginirajsingh@gmail.com [Department of Physics, Bhopal University, Bhopal-462026 (India); Department of Physical Electronics, Iby and Aladar Fleishman Faculty of Engineering, Tel-Aviv University, Tel-Aviv-69978 (Israel); Painuly, Diksha [Centre for Nanoscience and Nanotechnology, University of Kerala, Thiruanantpuram, Kerala (India); Pandey, R.K. [Department of Physics, Bhopal University, Bhopal-462026 (India)

2009-07-15

Electrodeposition is emerging as a method for the synthesis of semiconductor thin films and nanostructures. In this work we prepared the nanocrystalline CdTe thin films on indium tin oxide coated glass substrate from aqueous acidic bath at the deposition temperature 50 {+-} 1 deg. C. The films were grown potentiostatically from -0.60 V to -0.82 V with respect to saturated calomel reference electrode. The structural, compositional, morphological and optical properties were investigated using X-ray diffraction (XRD), energy dispersive analysis by X-rays (EDAX), atomic force microscopy (AFM), and UV-vis spectroscopy respectively and cyclic voltammetery. The structural and optical studies revealed that films are nanocrystalline in nature and possess cubic phase, also the films are preferentially oriented along the cubic (1 1 1) plane. The effect of cadmium composition on the deposited morphology was also investigated. The size dependent blue shift in the experimentally determined absorption edge has been compared with the theoretical predictions based on the effective mass approximation and tight binding approximation. It is shown that the experimentally determined absorption edges depart from the theoretically calculated values.

In vitro corrosion, cytotoxicity and hemocompatibility of bulk nanocrystalline pure iron

International Nuclear Information System (INIS)

Nie, F L; Zheng, Y F; Wei, S C; Hu, C; Yang, G

2010-01-01

Bulk nanocrystalline pure iron rods were fabricated by the equal channel angular pressure (ECAP) technique up to eight passes. The microstructure and grain size distribution, natural immersion and electrochemical corrosion in simulated body fluid, cellular responses and hemocompatibility were investigated in this study. The results indicate that nanocrystalline pure iron after severe plastic deformation (SPD) would sustain durable span duration and exhibit much stronger corrosion resistance than that of the microcrystalline pure iron. The interaction of different cell lines reveals that the nanocrystalline pure iron stimulates better proliferation of fibroblast cells and preferable promotion of endothelialization, while inhibits effectively the viability of vascular smooth muscle cells (VSMCs). The burst of red cells and adhesion of the platelets were also substantially suppressed on contact with the nanocrystalline pure iron in blood circulation. A clear size-dependent behavior from the grain nature deduced by the gradual refinement microstructures was given and well-behaved in vitro biocompatibility of nanocrystalline pure iron was concluded.

Control of Single-Stage Single-Phase PV inverter

DEFF Research Database (Denmark)

Ciobotaru, Mihai; Teodorescu, Remus; Blaabjerg, Frede

2005-01-01

In this paper the issue of control strategies for single-stage photovoltaic (PV) inverter is addressed. Two different current controllers have been implemented and an experimental comparison between them has been made. A complete control structure for the single-phase PV system is also presented......-forward; - and the grid current controller implemented in two different ways, using the classical proportional integral (PI) and the novel proportional resonant (PR) controllers. The control strategy was tested experimentally on 1.5 kW PV inverter....

Theoretical study on recoilless fractions of simple cubic monatomic nanocrystalline particles

International Nuclear Information System (INIS)

Huang Jianping; Wang Luya

2002-01-01

Recoilless fractions of simple cubic monatomic nanocrystalline particles are calculated by using displacement-displacement Green's function. The numerical results show that the recoilless fractions on the surface of monatomic nanocrystalline particles are smaller than those in the inner, and they decrease when the particle size increase, the recoilless fractions of whole monatomic nanocrystalline particles increase when the particle size increase. These effects are more evident when the temperature is higher

Superior sinterability of nano-crystalline gadolinium doped ceria powders synthesized by co-precipitation method

International Nuclear Information System (INIS)

Hari Prasad, D.; Kim, H.-R.; Park, J.-S.; Son, J.-W.; Kim, B.-K.; Lee, H.-W.; Lee, J.-H.

2010-01-01

Reduced sintering temperature of doped ceria can greatly simplify the fabrication process of solid oxide fuel cells (SOFCs) by utilizing the co-firing of all cell components with a single step. In the present study, nano-crystalline gadolinium doped ceria (GDC) powders of high sinterability at lower sintering temperature has been synthesized by co-precipitation at room temperature. The successful synthesis of nano-crystalline GDC was confirmed by XRD, TEM and Raman spectroscopy analysis. Dilatometry studies showed that GDC prepared by this method can be fully densified (97% relative density) at a sintering temperature of 950 o C which is fairly lower than ever before. It has also been found that the sintered samples have a higher ionic conductivity of 1.64 x 10 -2 S cm -1 at 600 o C which is suitable for the intermediate temperature SOFC application.

Magnetic properties of nanocrystalline Fe–10%Ni alloy obtained by planetary ball mills

International Nuclear Information System (INIS)

Hamzaoui, Rabah; Elkedim, Omar

2013-01-01

Highlights: •Solid solution formation accompanied by a grain refinement for nanocrystalline Fe-Ni. •The shock mode process (SMP) prevails when Ω > >ω. •The friction mode process (FMP) is stronger when Ω < <ω. •The FMP leads to the formation of alloys exhibiting a soft magnetic behavior. -- Abstract: Planetary ball mill PM 400 from Retsch (with different milling times for Ω = 400 rpm, ω = 800 rpm) and P4 vario ball mill from Fritsch (with different milling conditions (Ω/ω), Ω and ω being the disc and the vial rotation speeds, respectively) are used for obtaining nanocrystalline Fe–10wt% Ni. The structure and magnetic properties are studied by using X-ray diffraction, SEM and hysteresis measurements, respectively. The bcc-Fe(Ni) phase formation is identified by X-ray diffraction. The higher the shock power and the higher milling time are, the larger the bcc lattice parameter and the lower the grain size. The highest value of the coercivity is 1600 A/m for Fe–10 wt.%Ni (with shock mode (424 rpm/100 rpm) after 36 h of milling), while the lowest value is 189 A/m for (400 rpm/800 rpm) after 72 h of milling. The milling performed in the friction mode has been found to lead the formation of alloys exhibiting a soft magnetic behavior for nanocrystalline Fe–10%Ni

Cyto-genotoxic and DNA methylation changes induced by different crystal phases of TiO{sub 2}-np in bronchial epithelial (16-HBE) cells

Energy Technology Data Exchange (ETDEWEB)

Ghosh, Manosij, E-mail: gmanosij@gmail.com [K.U.Leuven, Department of Public Health and Primary Care, Centre Environment & Health, B-3000 Leuven (Belgium); Öner, Deniz; Duca, Radu-Corneliu [K.U.Leuven, Department of Public Health and Primary Care, Centre Environment & Health, B-3000 Leuven (Belgium); Cokic, Stevan M. [Department of Oral Health Sciences, KU Leuven BIOMAT, 3000 Leuven (Belgium); Seys, Sven [K.U.Leuven, Department of Immunology and Microbiology, Leuven (Belgium); Kerkhofs, Stef [Centre for Surface Chemistry and Catalysis, KU Leuven, Celestijnenlaan 200f, Heverlee, Leuven (Belgium); Van Landuyt, Kirsten [Department of Oral Health Sciences, KU Leuven BIOMAT, 3000 Leuven (Belgium); Hoet, Peter [K.U.Leuven, Department of Public Health and Primary Care, Centre Environment & Health, B-3000 Leuven (Belgium); Godderis, Lode, E-mail: lode.godderis@med.kuleuven.be [K.U.Leuven, Department of Public Health and Primary Care, Centre Environment & Health, B-3000 Leuven (Belgium); Idewe, External Service for Prevention and Protection at Work, B-3001, Heverlee (Belgium)

2017-02-15

Highlights: • Comet and micronucleus (with and without CytB) assays revealed significant genotoxic effect of TiO{sub 2}-np. • TiO{sub 2}-np induces cell cycle arrest in the S-phase. • Anatase form induces more cyto-genotoxic effect compared to rutile and anatase-rutile mixture. • Significant hypomethylation were observed at for anatase, rutile and anatase: rutile mixture. - Abstract: With the increase in use of TiO{sub 2}-np, a better understanding of their safety is important. In the present study the effect of different crystal phases of TiO{sub 2}-np (anatase, rutile and anatase: rutile mixture; 20–26 nm) were studied for cyto-genotoxicity and global DNA methylation and hydroxymethylation. Cytotoxic response was observed at a concentration of 25 μg/ml for the particles tested. Results of comet and micronucleus (with and without CytB) assays revealed significant genotoxic effect of these particles. Flow cytometry revealed cell cycle arrest in the S-phase. Based on the results, toxicity of the particles could be correlated with their physico-chemical properties (i.e. smaller size and hydrodynamic diameter and larger surface area), anatase form being the most toxic. From the results of the cyto-genotoxicity assays, concentrations were determined for the epigenetic study. Effect on global DNA methylation and hydroxymethylation levels were studied at cyto-genotoxic (25 μg/ml), genotoxic (12.5 μg/ml) and sub cyto-genotoxic (3.25 μg/ml) concentrations using LC–MS/MS analysis. Though no significant changes were observed for 3 h treatment schedule; significant hypomethylation were observed at 24 h for anatase (significant at 3.25 and 25 μg/ml), rutile (significant at 3.25 and 25 μg/ml) and anatase: rutile mixture (significant at 25 μg/ml) forms. The results suggest that epigenetic changes could occur at sub cyto-genotoxic concentrations. And hence for complete characterization of nanoparticle toxicity, epigenetic studies should be performed along with

Synthesis of nanocrystalline fluorinated hydroxyapatite

Indian Academy of Sciences (India)

Fluorinated hydroxyapatite; nanocrystalline; microwave synthesis; dissolution. ... HA by the presence of other ions such as carbonate, magnesium, fluoride, etc. ... Fourier transform infrared spectroscopy (FT–IR) and laser Raman spectroscopy.

Nanocrystalline CdSnO3 Based Room Temperature Methanol Sensor

Directory of Open Access Journals (Sweden)

Shanabhau BAGUL

2017-04-01

Full Text Available Synthesis of nanocrystalline CdSnO3 powder by ultrasonic atomizer assisted wet chemical method is reported in this paper. Synthesized CdSnO3 powder was characterized by X-Ray Diffraction (XRD, Field Emission Scanning Electron Microscopy (FESEM and Transmission Electron Microscopy (TEM to examine phase and microstructure. FESEM and TEM analysis reveals that the CdSnO3 powder prepared here is porous monodisperse nanocrystalline in nature, with average particle size of approximately 17 nm or smaller. The material is also characterized by UV-Visible and Photoluminescence (PL spectroscopy. Thick films of synthesized CdSnO3 powder fired at 850 0C are made by using screen printing method. The films surface is modified by using dipping method. CuCl2 (0.005 M dipped (for 2 min thick film shows high response (R= 477 to 100 ppm methanol at room temperature (35 0C. The sensor shows good selectivity and fast response recovery time to methanol. The excellent methanol sensing performance, particularly high response values is observed to be mainly due to porous CdSnO3 surface.

Trojan-Like Internalization of Anatase Titanium Dioxide Nanoparticles by Human Osteoblast Cells.

Science.gov (United States)

Ribeiro, A R; Gemini-Piperni, S; Travassos, R; Lemgruber, L; Silva, R C; Rossi, A L; Farina, M; Anselme, K; Shokuhfar, T; Shahbazian-Yassar, R; Borojevic, R; Rocha, L A; Werckmann, J; Granjeiro, J M

2016-03-29

Dentistry and orthopedics are undergoing a revolution in order to provide more reliable, comfortable and long-lasting implants to patients. Titanium (Ti) and titanium alloys have been used in dental implants and total hip arthroplasty due to their excellent biocompatibility. However, Ti-based implants in human body suffer surface degradation (corrosion and wear) resulting in the release of metallic ions and solid wear debris (mainly titanium dioxide) leading to peri-implant inflammatory reactions. Unfortunately, our current understanding of the biological interactions with titanium dioxide nanoparticles is still very limited. Taking this into consideration, this study focuses on the internalization of titanium dioxide nanoparticles on primary bone cells, exploring the events occurring at the nano-bio interface. For the first time, we report the selective binding of calcium (Ca), phosphorous (P) and proteins from cell culture medium to anatase nanoparticles that are extremely important for nanoparticle internalization and bone cells survival. In the intricate biological environment, anatase nanoparticles form bio-complexes (mixture of proteins and ions) which act as a kind of 'Trojan-horse' internalization by cells. Furthermore, anatase nanoparticles-induced modifications on cell behavior (viability and internalization) could be understand in detail. The results presented in this report can inspire new strategies for the use of titanium dioxide nanoparticles in several regeneration therapies.

Atomistic simulations of nanocrystalline U0.5Th0.5O2 solid solution under uniaxial tension

Directory of Open Access Journals (Sweden)

Hongxing Xiao

2017-12-01

Full Text Available Molecular dynamics simulations were performed to investigate the uniaxial tensile properties of nanocrystalline U0.5Th0.5O2 solid solution with the Born–Mayer–Huggins potential. The results indicated that the elastic modulus increased linearly with the density relative to a single crystal, but decreased with increasing temperature. The simulated nanocrystalline U0.5Th0.5O2 exhibited a breakdown in the Hall–Petch relation with mean grain size varying from 3.0 nm to 18.0 nm. Moreover, the elastic modulus of U1-yThyO2 solid solutions with different content of thorium at 300 K was also studied and the results accorded well with the experimental data available in the literature. In addition, the fracture mode of nanocrystalline U0.5Th0.5O2 was inclined to be ductile because the fracture behavior was preceded by some moderate amount of plastic deformation, which is different from what has been seen earlier in simulations of pure UO2.

Three-dimensional numerical modeling of turbulent single-phase and two-phase flow in curved pipes

International Nuclear Information System (INIS)

Xin, R.C.; Dong, Z.F.; Ebadian, M.A.

1996-01-01

In this study, three-dimensional single-phase and two-phase flows in curved pipes have been investigated numerically. Two different pipe configurations were computed. When the results of the single-phase flow simulation were compared with the experimental data, a fairly good agreement was achieved. A flow-developing process has been suggested in single-phase flow, in which the turbulence is stronger near the outer tube wall than near the inner tube wall. For two-phase flow, the Eulerian multiphase model was used to simulate the phase distribution of a three-dimensional gas-liquid bubble flow in curved pipe. The RNG/κ-ε turbulence model was used to determine the turbulence field. An inlet gas void fraction of 5 percent was simulated. The gas phase effects on the liquid phase flow velocity have been examined by comparing the results of single-phase flow and two-phase flow. The findings show that for the downward flow in the U bend, the gas concentrates at the inner portion of the cross section at φ = π/18 - π/6 in most cases. The results of the phase distribution simulation are compared to experimental observations qualitatively and topologically

[Study of the phase transformation of TiO2 with in-situ XRD in different gas].

Science.gov (United States)

Ma, Li-Jing; Guo, Lie-Jin

2011-04-01

TiO2 sample was prepared by sol-gel method from chloride titanium. The phase transformation of the prepared TiO2 sample was studied by in-situ XRD and normal XRD in different gas. The experimental results showed that the phase transformation temperatures of TiO2 were different under in-situ or normal XRD in different kinds of gas. The transformation of amorphous TiO2 to anatase was controlled by kinetics before 500 degrees C. In-situ XRD showed that the growth of anatase was inhibited, but the transformation of anatase to rutile was accelerated under inactive nitrogen in contrast to air. Also better crystal was obtained under hydrogen than in argon. These all showed that external oxygen might accelerate the growth of TiO2, but reduced gas might partly counteract the negative influence of lack of external oxygen. The mechanism of phase transformation of TiO2 was studied by in-situ XRD in order to control the structure in situ.

Benign Synthesis of Black Microspheres of Anatase TiO2 with Paramagnetic Oxygen Vacancies through NH3 Treatment.

Science.gov (United States)

Maqbool, Qysar; Srivastava, Aasheesh

2017-10-09

Coloured TiO 2 is coveted for its ability to extract energy from the visible region of electromagnetic spectrum. Here a facile synthesis of black anatase titania microspheres (B-TiO 2 ) through a two-step process is reported. In the first step, amorphous white TiO 2 microspheres (W-TiO 2 ) are obtained by hydrolysing titanium tetraisopropoxide by ammonia vapours in ethanol. In the second step, the W-TiO 2 is thermally annealed at 500 °C to obtain B-TiO 2 . The diffuse reflectance analysis showed that B-TiO 2 absorbs across visible spectrum with absorption extending well into NIR region. Raman scattering together with EPR analysis showed compelling evidence of the existence of oxygen deficiency within the crystal in B-TiO 2 that induces black colouration in the sample. The defects present in the black anatase sample were confirmed to be single-electron-trapped (or paramagnetic) oxygen vacancies (V o ⋅) by XPS and EPR studies. The magnetic susceptibility studies showed existence of antiferromagnetic interactions between these unpaired electron spins. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

NH3 adsorption on anatase-TiO2(101)

Science.gov (United States)

Koust, Stig; Adamsen, Kræn C.; Kolsbjerg, Esben Leonhard; Li, Zheshen; Hammer, Bjørk; Wendt, Stefan; Lauritsen, Jeppe V.

2018-03-01

The adsorption of ammonia on anatase TiO2 is of fundamental importance for several catalytic applications of TiO2 and for probing acid-base interactions. Utilizing high-resolution scanning tunneling microscopy (STM), synchrotron X-ray photoelectron spectroscopy, temperature-programmed desorption (TPD), and density functional theory (DFT), we identify the adsorption mode and quantify the adsorption strength on the anatase TiO2(101) surface. It was found that ammonia adsorbs non-dissociatively as NH3 on regular five-fold coordinated titanium surface sites (5f-Ti) with an estimated exothermic adsorption energy of 1.2 eV for an isolated ammonia molecule. For higher adsorbate coverages, the adsorption energy progressively shifts to smaller values, due to repulsive intermolecular interactions. The repulsive adsorbate-adsorbate interactions are quantified using DFT and autocorrelation analysis of STM images, which both showed a repulsive energy of ˜50 meV for nearest neighbor sites and a lowering in binding energy for an ammonia molecule in a full monolayer of 0.28 eV, which is in agreement with TPD spectra.

Enhanced superconductivity and superconductor to insulator transition in nano-crystalline molybdenum thin films

Energy Technology Data Exchange (ETDEWEB)

Sharma, Shilpam; Amaladass, E.P. [Condensed Matter Physics Division, Materials Science Group, Indira Gandhi Centre for Atomic Research, Kalpakkam 603102 (India); Sharma, Neha [Surface & Nanoscience Division, Materials Science Group, Indira Gandhi Centre for Atomic Research, Kalpakkam 603102 (India); Harimohan, V. [Condensed Matter Physics Division, Materials Science Group, Indira Gandhi Centre for Atomic Research, Kalpakkam 603102 (India); Amirthapandian, S. [Materials Physics Division, Materials Science Group, Indira Gandhi Centre for Atomic Research, Kalpakkam 603102 (India); Mani, Awadhesh, E-mail: mani@igcar.gov.in [Condensed Matter Physics Division, Materials Science Group, Indira Gandhi Centre for Atomic Research, Kalpakkam 603102 (India)

2017-06-01

Disorder driven superconductor to insulator transition via intermediate metallic regime is reported in nano-crystalline thin films of molybdenum. The nano-structured thin films have been deposited at room temperature using DC magnetron sputtering at different argon pressures. The grain size has been tuned using deposition pressure as the sole control parameter. A variation of particle sizes, room temperature resistivity and superconducting transition has been studied as a function of deposition pressure. The nano-crystalline molybdenum thin films are found to have large carrier concentration but very low mobility and electronic mean free path. Hall and conductivity measurements have been used to understand the effect of disorder on the carrier density and mobilities. Ioffe-Regel parameter is shown to correlate with the continuous metal-insulator transition in our samples. - Highlights: • Thin films of molybdenum using DC sputtering have been deposited on glass. • Argon background pressure during sputtering was used to tune the crystallite sizes of films. • Correlation in deposition pressure, disorder and particle sizes has been observed. • Disorder tuned superconductor to insulator transition along with an intermediate metallic phase has been observed. • Enhancement of superconducting transition temperature and a dome shaped T{sub C} vs. deposition pressure phase diagram has been observed.

Thermal evolution of nanocrystalline co-sputtered Ni–Zr alloy films: Structural, magnetic and MD simulation studies

International Nuclear Information System (INIS)

Bhattacharya, Debarati; Rao, T.V. Chandrasekhar; Bhushan, K.G.; Ali, Kawsar; Debnath, A.; Singh, S.; Arya, A.; Bhattacharya, S.; Basu, S.

2015-01-01

Monophasic and homogeneous Ni 10 Zr 7 nanocrystalline alloy films were successfully grown at room temperature by co-sputtering in an indigenously developed three-gun DC/RF magnetron sputtering unit. The films could be produced with long-range crystallographic and chemical order in the alloy, thus overcoming the widely acknowledged inherent proclivity of the glass forming Ni–Zr couple towards amorphization. Crystallinity of these alloys is a desirable feature with regard to improved efficacy in applications such as hydrogen storage, catalytic activity and nuclear reactor engineering, to name a few. Thermal stability of this crystalline phase, being vital for transition to viable applications, was investigated through systematic annealing of the alloy films at 473 K, 673 K and 923 K for various durations. While the films were stable at 473 K, the effect of annealing at 673 K was to create segregation into nanocrystalline Ni (superparamagnetic) and amorphous Ni + Zr (non-magnetic) phases. Detailed analyses of the physical and magnetic structures before and after annealing were performed through several techniques effectual in analyzing stratified configurations and the findings were all consistent with each other. Polarized neutron and X-ray reflectometry, grazing incidence x-ray diffraction, time-of-flight secondary ion mass spectroscopy and X-ray photoelectron spectroscopy were used to gauge phase separation at nanometer length scales. SQUID based magnetometry was used to investigate macroscopic magnetic properties. Simulated annealing performed on this system using molecular dynamic calculations corroborated well with the experimental results. This study provides a thorough understanding of the creation and thermal evolution of a crystalline Ni–Zr alloy. - Highlights: • Nanocrystalline Ni 10 Zr 7 alloy thin films deposited successfully by co-sputtering. • Creation of a crystalline alloy in a binary system with a tendency to amorphize. • Quantitative

Thermal evolution of nanocrystalline co-sputtered Ni–Zr alloy films: Structural, magnetic and MD simulation studies

Energy Technology Data Exchange (ETDEWEB)

Bhattacharya, Debarati, E-mail: debarati@barc.gov.in [Solid State Physics Division, Bhabha Atomic Research Centre, Mumbai 400085 (India); Rao, T.V. Chandrasekhar; Bhushan, K.G. [Technical Physics Division, Bhabha Atomic Research Centre, Mumbai 400085 (India); Ali, Kawsar [Material Science Division, Bhabha Atomic Research Centre, Mumbai 400085 (India); Debnath, A. [Technical Physics Division, Bhabha Atomic Research Centre, Mumbai 400085 (India); Singh, S. [Solid State Physics Division, Bhabha Atomic Research Centre, Mumbai 400085 (India); Arya, A. [Material Science Division, Bhabha Atomic Research Centre, Mumbai 400085 (India); Bhattacharya, S. [Technical Physics Division, Bhabha Atomic Research Centre, Mumbai 400085 (India); Basu, S. [Solid State Physics Division, Bhabha Atomic Research Centre, Mumbai 400085 (India)

2015-11-15

Monophasic and homogeneous Ni{sub 10}Zr{sub 7} nanocrystalline alloy films were successfully grown at room temperature by co-sputtering in an indigenously developed three-gun DC/RF magnetron sputtering unit. The films could be produced with long-range crystallographic and chemical order in the alloy, thus overcoming the widely acknowledged inherent proclivity of the glass forming Ni–Zr couple towards amorphization. Crystallinity of these alloys is a desirable feature with regard to improved efficacy in applications such as hydrogen storage, catalytic activity and nuclear reactor engineering, to name a few. Thermal stability of this crystalline phase, being vital for transition to viable applications, was investigated through systematic annealing of the alloy films at 473 K, 673 K and 923 K for various durations. While the films were stable at 473 K, the effect of annealing at 673 K was to create segregation into nanocrystalline Ni (superparamagnetic) and amorphous Ni + Zr (non-magnetic) phases. Detailed analyses of the physical and magnetic structures before and after annealing were performed through several techniques effectual in analyzing stratified configurations and the findings were all consistent with each other. Polarized neutron and X-ray reflectometry, grazing incidence x-ray diffraction, time-of-flight secondary ion mass spectroscopy and X-ray photoelectron spectroscopy were used to gauge phase separation at nanometer length scales. SQUID based magnetometry was used to investigate macroscopic magnetic properties. Simulated annealing performed on this system using molecular dynamic calculations corroborated well with the experimental results. This study provides a thorough understanding of the creation and thermal evolution of a crystalline Ni–Zr alloy. - Highlights: • Nanocrystalline Ni{sub 10}Zr{sub 7} alloy thin films deposited successfully by co-sputtering. • Creation of a crystalline alloy in a binary system with a tendency to amorphize. �

Synthesis, structural and magnetic characterization of soft magnetic nanocrystalline ternary FeNiCo particles

Energy Technology Data Exchange (ETDEWEB)

Toparli, Cigdem [Department of Metallurgical & Materials Eng., Istanbul Technical University, 34469 Istanbul (Turkey); Max-Planck-Institut für Eisenforschung GmbH, Düsseldorf (Germany); Ebin, Burçak [Department of Metallurgical & Materials Eng., Istanbul Technical University, 34469 Istanbul (Turkey); Nuclear Chemistry and Industrial Material Recycling, Department of Chemistry and Chemical Engineering, Chalmers University of Technology, S-412 96 Gothenburg (Sweden); Gürmen, Sebahattin, E-mail: gurmen@itu.edu.tr [Department of Metallurgical & Materials Eng., Istanbul Technical University, 34469 Istanbul (Turkey)

2017-02-01

The present study focuses on the synthesis, microstructural and magnetic properties of ternary FeNiCo nanoparticles. Nanocrystalline ternary FeNiCo particles were synthesized via hydrogen reduction assisted ultrasonic spray pyrolysis method in single step. The effect of precursor concentration on the morphology and the size of particles was investigated. The syntheses were performed at 800 °C. Structure, morphology and magnetic properties of the as-prepared products were characterized through X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and vibrating sample magnetometer (VSM) studies. Scherer calculation revealed that crystallite size of the ternary particles ranged between 36 and 60 nm. SEM and TEM investigations showed that the particle size was strongly influenced by the precursor concentration and Fe, Ni, Co elemental composition of individual particles was homogeneous. Finally, the soft magnetic properties of the particles were observed to be a function of their size. - Highlights: • Ternary FeNiCo alloy nanocrystalline particles were synthesized in a single step. • Cubic crystalline structure and spherical morphology was observed by XRD, SEM and TEM investigations. • The analysis of magnetic properties indicates the soft magnetic features of particles.

Searching for Next Single-Phase High-Entropy Alloy Compositions

Directory of Open Access Journals (Sweden)

David E. Alman

2013-10-01

Full Text Available There has been considerable technological interest in high-entropy alloys (HEAs since the initial publications on the topic appeared in 2004. However, only several of the alloys investigated are truly single-phase solid solution compositions. These include the FCC alloys CoCrFeNi and CoCrFeMnNi based on 3d transition metals elements and BCC alloys NbMoTaW, NbMoTaVW, and HfNbTaTiZr based on refractory metals. The search for new single-phase HEAs compositions has been hindered by a lack of an effective scientific strategy for alloy design. This report shows that the chemical interactions and atomic diffusivities predicted from ab initio molecular dynamics simulations which are closely related to primary crystallization during solidification can be used to assist in identifying single phase high-entropy solid solution compositions. Further, combining these simulations with phase diagram calculations via the CALPHAD method and inspection of existing phase diagrams is an effective strategy to accelerate the discovery of new single-phase HEAs. This methodology was used to predict new single-phase HEA compositions. These are FCC alloys comprised of CoFeMnNi, CuNiPdPt and CuNiPdPtRh, and HCP alloys of CoOsReRu.

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

Science.gov (United States)

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

2015-01-01

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

Precipitation of heterogeneous nanostructures: Metal nanoparticles and dielectric nanocrystallites

International Nuclear Information System (INIS)

Masai, Hirokazu; Takahashi, Yoshihiro; Fujiwara, Takumi; Tokuda, Yomei; Yoko, Toshinobu

2010-01-01

Heterogeneous precipitation of nanocrystallites of metallic Bi and anatase was observed in CaO-Bi 2 O 3 -B 2 O 3 -Al 2 O 3 -TiO 2 glass-ceramics. Addition of AlN reduced the Bi 2 O 3 to Bi metal nanoparticles, which were uniformly dispersed in the glass. After heat-treatment of the Bi-precipitated glass around the glass transition temperature, nanocrystalline anatase precipitated out without aggregation of the Bi metal particles. It was found that the anatase nanocrystal size was affected by the distance between a nanocrystal and a precipitated Bi nanoparticle. The glass-ceramic produced is a functional material containing a random dispersion of different types of nanoparticles with different dielectric constants.

Growth Structure and Properties of Gradient Nanocrystalline Coatings of the Ti-Al-Si-Cu-N System

Science.gov (United States)

Ovchinnikov, S. V.; Pinzhin, Yu. P.

2016-10-01

Methods of electron microprobe analysis, X-ray structure analysis and electron microscopy were used to study the element composition and features of the structure-phase, elastic stress state of nanocrystalline coatings of the Ti- Al- Si- Cu- N system with gradient of copper concentration across their thickness. The authors established the effects of element composition modification, non-monotonous behavior of the lattice constant of alloyed nitride and rise in the bending-torsion value of the crystalline lattice in individual nanocrystals to values of around 400 degrees/μm with increase in copper concentration, whereas the sizes of alloyed nitride crystals remained practically unchanged. Mechanical (hardness), adhesion and tribological properties of coatings were examined. Comparative analysis demonstrates higher values of adhesion characteristics in the case of gradient coatings of the Ti- Al- Si- Cu- N system than in the case of single-layer (with constant element concentration) analogues.

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

Science.gov (United States)

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

2014-01-01

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

Film boiling from spheres in single- and two-phase flow

International Nuclear Information System (INIS)

Liu, C.; Theofanous, T.G.; Yuen, W.W.

1992-01-01

Experimental data on film boiling heat transfer from single, inductively heated, spheres in single- and two-phase flow (saturated water and steam, respectively) are presented. In the single-phase-flow experiments water velocities ranged from 0.1 to 2.0 m/s; in the two-phase-flow experiments superficial water and steam velocities covered 0.1 to 0.6 m/s and 4 to 10 m/s, respectively. All experiments were run at atmospheric pressure and with sphere temperatures from 900C down to quenching. Limited interpretations of the single-phase- flow data are possible, but the two-phase-flow data are new and unique

New route to the fabrication of nanocrystalline diamond films

International Nuclear Information System (INIS)

Varshney, Deepak; Morell, Gerardo; Palomino, Javier; Resto, Oscar; Gil, Jennifer; Weiner, Brad R.

2014-01-01

Nanocrystalline diamond (NCD) thin films offer applications in various fields, but the existing synthetic approaches are cumbersome and destructive. A major breakthrough has been achieved by our group in the direction of a non-destructive, scalable, and economic process of NCD thin-film fabrication. Here, we report a cheap precursor for the growth of nanocrystalline diamond in the form of paraffin wax. We show that NCD thin films can be fabricated on a copper support by using simple, commonplace paraffin wax under reaction conditions of Hot Filament Chemical Vapor Deposition (HFCVD). Surprisingly, even the presence of any catalyst or seeding that has been conventionally used in the state-of-the-art is not required. The structure of the obtained films was analyzed by scanning electron microscopy and transmission electron microscopy. Raman spectroscopy and electron energy-loss spectroscopy recorded at the carbon K-edge region confirm the presence of nanocrystalline diamond. The process is a significant step towards cost-effective and non-cumbersome fabrication of nanocrystalline diamond thin films for commercial production

Iron-rich (Fe1-x-yNixCoy)88Zr7B4Cu1 nanocrystalline magnetic materials for high temperature applications with minimal magnetostriction

Science.gov (United States)

Martone, Anthony; Dong, Bowen; Lan, Song; Willard, Matthew A.

2018-05-01

As inductor technology advances, greater efficiency and smaller components demand new core materials. With recent developments of nanocrystalline magnetic materials, soft magnetic properties of these cores can be greatly improved. FeCo-based nanocrystalline magnetic alloys have resulted in good soft magnetic properties and high Curie temperatures; however, magnetoelastic anisotropies persist as a main source of losses. This investigation focuses on the design of a new Fe-based (Fe,Ni,Co)88Zr7B4Cu1 alloy with reduced magnetostriction and potential for operation at elevated temperatures. The alloys have been processed by arc melting, melt spinning, and annealing in a protective atmosphere to produce nanocrystalline ribbons. These ribbons have been analyzed for structure, hysteresis, and magnetostriction using X-Ray diffraction, vibrating sample magnetometry (VSM), and a home-built magnetostriction system, respectively. In addition, Curie temperatures of the amorphous phase were analyzed to determine the best performing, high-temperature material. Our best result was found for a Fe77Ni8.25Co2.75Zr7B4Cu1 alloy with a 12 nm average crystallite size (determined from Scherrer broadening) and a 2.873 Å lattice parameter determined from the Nelson-Riley function. This nanocrystalline alloy possesses a coercivity of 10 A/m, magnetostrictive coefficient of 4.8 ppm, and amorphous phase Curie temperature of 218°C.

Hybrid Three-Phase/Single-Phase Microgrid Architecture with Power Management Capabilities

DEFF Research Database (Denmark)

Sun, Qiuye; Zhou, Jianguo; Guerrero, Josep M.

2015-01-01

With the fast proliferation of single-phase distributed generation (DG) units and loads integrated into residential microgrids, independent power sharing per phase and full use of the energy generated by DGs have become crucial. To address these issues, this paper proposes a hybrid microgrid...... architecture and its power management strategy. In this microgrid structure, a power sharing unit (PSU), composed of three single-phase back-to-back (SPBTB) converters, is proposed to be installed at the point of common coupling (PCC). The aim of the PSU is mainly to realize the power exchange and coordinated...... control of load power sharing among phases, as well as to allow fully utilization of the energy generated by DGs. Meanwhile, the method combining the modified adaptive backstepping-sliding mode control approach and droop control is also proposed to design the SPBTB system controllers. With the application...

Development of amorphous and nanocrystalline Al65Cu35-xZrx alloys by mechanical alloying

International Nuclear Information System (INIS)

Manna, I.; Chattopadhyay, P.P.; Banhart, F.; Fecht, H.J.

2004-01-01

Mechanical alloying of Al 65 Cu 35-x Zr x (x=5, 15 and 25 at.% Zr) elemental powder blends by planetary ball milling up to 50 h yields amorphous and/or nanocrystalline products. Microstructure of the milled product at different stages of milling has been characterized by X-ray diffraction, (XRD) high-resolution transmission electron microscopy (TEM) and energy dispersive X-ray spectroscopy (EDS). Among the different alloys synthesized by mechanical alloying, Al 65 Cu 20 Zr 15 yields a predominantly amorphous product, while the other two alloys develop a composite microstructure comprising nanocrystalline and amorphous solid solutions in Al 65 Cu 10 Zr 25 and nano-intermetallic phase/compound in Al 65 Cu 30 Zr 5 , respectively. The genesis of solid-state amorphization in Al 65 Cu 20 Zr 15 and Al 65 Cu 10 Zr 25 is investigated

Nanocrystalline functional materials and nanocomposites synthesis through aerosol routes

Directory of Open Access Journals (Sweden)

Milošević Olivera B.

2003-01-01

Full Text Available This paper represents the results of the design of functional nanocrystalline powders and nanocomposites using chemical reactions in aerosols. The process involves ultrasonic aerosol formation (mist generators with the resonant frequencies of 800 kHz, 1.7 and 2.5 MHz from precursor salt solutions and control over the aerosol decomposition in a high-temperature tubular flow reactor. During decomposition, the aerosol droplets undergo evaporation/drying, precipitation and thermolysis in a single-step process. Consequently, spherical, solid, agglomerate-free submicronic particles are obtained. The particle morphology, revealed as a composite structure consisting of primary crystallites smaller than 20 nm was analysed by several methods (XRD, DSC/DTA, SEM, TEM and discussed in terms of precursor chemistry and process parameters. Following the initial attempts, a more detailed aspect of nanocrystalline particle synthesis was demonstrated for the case of nanocomposites based on ZnO-MeO (MeO=Bi Cr+, suitable for electronic applications, as well as an yttrium-aluminum base complex system, suitable for phosphorus applications. The results imply that parts of the material structure responsible for different functional behaviour appear through in situ aerosol synthesis by processes of intraparticle agglomeration, reaction and sintering in the last synthesis stage.

Simultaneous removal of Cr(VI) and 4-chlorophenol through photocatalysis by a novel anatase/titanate nanosheet composite: Synergetic promotion effect and autosynchronous doping

International Nuclear Information System (INIS)

Liu, Wen; Sun, Weiling; Borthwick, Alistair G.L.; Wang, Ting; Li, Fan; Guan, Yidong

2016-01-01

Highlights: • TNS composed of anatase and titanate synthesized via a facile one-step method. • Cr(VI) and 4-CP can be simultaneously removed by TNS through photocatalysis. • Photocatalytic efficiencies of Cr(VI) and 4-CP greatly enhanced when coexisting. • Synergetic promotion effect occurs due to separation of electron-hole pairs. • Autosynchronous doping after Cr(III) adsorption leads to narrowed energy gap. - Abstract: Clean-up of wastewaters with coexisting heavy metals and organic contaminants is a huge issue worldwide. In this study, a novel anatase/titanate nanosheet composite material (labeled as TNS) synthesized through a one-step hydrothermal reaction was demonstrated to achieve the goal of simultaneous removal of Cr(VI) and 4-cholophenol (4-CP) from water. TEM and XRD analyses indicated the TNS was a nano-composite of anatase and titanate, with anatase acting as the primary photocatalysis center and titanate as the main adsorption site. Enhanced photocatalytic removal of co-existent Cr(VI) and 4-CP was observed in binary systems, with apparent rate constants (k_1) for photocatalytic reactions of Cr(VI) and 4-CP about 3.1 and 2.6 times of that for single systems. In addition, over 99% of Cr(VI) and 4-CP was removed within 120 min through photocatalysis by TNS at pH 7 in the binary system. Mechanisms for enhanced photocatalytic efficiency in the binary system are identified as: (1) a synergetic effect on the photo-reduction of Cr(VI) and photo-oxidation of 4-CP due to efficient separation of electron-hole pairs, and (2) autosynchronous doping because of reduced Cr(III) adsorption onto TNS. Furthermore, TNS could be efficiently reused after a simple acid-base treatment.

Simultaneous removal of Cr(VI) and 4-chlorophenol through photocatalysis by a novel anatase/titanate nanosheet composite: Synergetic promotion effect and autosynchronous doping

Energy Technology Data Exchange (ETDEWEB)

Liu, Wen, E-mail: wzl0025@auburn.edu [Jiangsu Key Laboratory of Atmospheric Environment Monitoring and Pollution Control, School of Environmental Science and Engineering, Nanjing University of Information Science and Technology, Nanjing 210044 (China); The Key Laboratory of Water and Sediment Sciences, Ministry of Education, Department of Environmental Engineering, Peking University, Beijing 100871 (China); Environmental Engineering Program, Department of Civil Engineering, Auburn University, Auburn, AL 36849 (United States); Sun, Weiling [The Key Laboratory of Water and Sediment Sciences, Ministry of Education, Department of Environmental Engineering, Peking University, Beijing 100871 (China); Borthwick, Alistair G.L. [School of Engineering, The University of Edinburgh, The King’s Buildings, Edinburgh EH9 3JL (United Kingdom); Wang, Ting [The Key Laboratory of Water and Sediment Sciences, Ministry of Education, Department of Environmental Engineering, Peking University, Beijing 100871 (China); Li, Fan [Environmental Engineering Program, Department of Civil Engineering, Auburn University, Auburn, AL 36849 (United States); Guan, Yidong, E-mail: yidongguan@nuist.edu.cn [Jiangsu Key Laboratory of Atmospheric Environment Monitoring and Pollution Control, School of Environmental Science and Engineering, Nanjing University of Information Science and Technology, Nanjing 210044 (China); Environmental Engineering Program, Department of Civil Engineering, Auburn University, Auburn, AL 36849 (United States)

2016-11-05

Highlights: • TNS composed of anatase and titanate synthesized via a facile one-step method. • Cr(VI) and 4-CP can be simultaneously removed by TNS through photocatalysis. • Photocatalytic efficiencies of Cr(VI) and 4-CP greatly enhanced when coexisting. • Synergetic promotion effect occurs due to separation of electron-hole pairs. • Autosynchronous doping after Cr(III) adsorption leads to narrowed energy gap. - Abstract: Clean-up of wastewaters with coexisting heavy metals and organic contaminants is a huge issue worldwide. In this study, a novel anatase/titanate nanosheet composite material (labeled as TNS) synthesized through a one-step hydrothermal reaction was demonstrated to achieve the goal of simultaneous removal of Cr(VI) and 4-cholophenol (4-CP) from water. TEM and XRD analyses indicated the TNS was a nano-composite of anatase and titanate, with anatase acting as the primary photocatalysis center and titanate as the main adsorption site. Enhanced photocatalytic removal of co-existent Cr(VI) and 4-CP was observed in binary systems, with apparent rate constants (k{sub 1}) for photocatalytic reactions of Cr(VI) and 4-CP about 3.1 and 2.6 times of that for single systems. In addition, over 99% of Cr(VI) and 4-CP was removed within 120 min through photocatalysis by TNS at pH 7 in the binary system. Mechanisms for enhanced photocatalytic efficiency in the binary system are identified as: (1) a synergetic effect on the photo-reduction of Cr(VI) and photo-oxidation of 4-CP due to efficient separation of electron-hole pairs, and (2) autosynchronous doping because of reduced Cr(III) adsorption onto TNS. Furthermore, TNS could be efficiently reused after a simple acid-base treatment.

Nanocrystalline Steels’ Resistance to Hydrogen Embrittlement

Directory of Open Access Journals (Sweden)

Skołek E.

2015-04-01

Full Text Available The aim of this study is to determine the susceptibility to hydrogen embrittlement in X37CrMoV5-1 steel with two different microstructures: a nanocrystalline carbide-free bainite and tempered martensite. The nanobainitic structure was obtained by austempering at the bainitic transformation zone. It was found, that after hydrogen charging, both kinds of microstructure exhibit increased yield strength and strong decrease in ductility. It has been however shown that the resistance to hydrogen embrittlement of X37CrMoV5-1 steel with nanobainitic structure is higher as compared to the tempered martensite. After hydrogen charging the ductility of austempered steel is slightly higher than in case of quenched and tempered (Q&T steel. This effect was interpreted as a result of phase composition formed after different heat treatments.

Doped titanium dioxide nanocrystalline powders with high photocatalytic activity

International Nuclear Information System (INIS)

Castro, A.L.; Nunes, M.R.; Carvalho, M.D.; Ferreira, L.P.; Jumas, J.-C.; Costa, F.M.; Florencio, M.H.

2009-01-01

Doped titanium dioxide nanopowders (M:TiO 2 ; M=Fe, Co, Nb, Sb) with anatase structure were successfully synthesized through an hydrothermal route preceded by a precipitation doping step. Structural and morphological characterizations were performed by powder XRD and TEM. Thermodynamic stability studies allowed to conclude that the anatase structure is highly stable for all doped TiO 2 prepared compounds. The photocatalytic efficiency of the synthesized nanopowders was tested and the results showed an appreciable enhancement in the photoactivity of the Sb:TiO 2 and Nb:TiO 2 , whereas no photocatalytic activity was detected for the Fe:TiO 2 and Co:TiO 2 nanopowders. These results were correlated to the doping ions oxidation states, determined by Moessbauer spectroscopy and magnetization data. - Graphical abstract: Doped titanium dioxide nanopowders (M:TiO 2 ; M=Fe, Co, Nb, Sb) with highly stable anatase structure were successfully synthesized through an hydrothermal route. The photocatalytic efficiencies of the synthesized nanopowders were tested and the results show an appreciable enhancement in the photoactivity of the Sb:TiO 2 and Nb:TiO 2 .

Single-shot quantitative phase microscopy with color-multiplexed differential phase contrast (cDPC.

Directory of Open Access Journals (Sweden)

Zachary F Phillips

Full Text Available We present a new technique for quantitative phase and amplitude microscopy from a single color image with coded illumination. Our system consists of a commercial brightfield microscope with one hardware modification-an inexpensive 3D printed condenser insert. The method, color-multiplexed Differential Phase Contrast (cDPC, is a single-shot variant of Differential Phase Contrast (DPC, which recovers the phase of a sample from images with asymmetric illumination. We employ partially coherent illumination to achieve resolution corresponding to 2× the objective NA. Quantitative phase can then be used to synthesize DIC and phase contrast images or extract shape and density. We demonstrate amplitude and phase recovery at camera-limited frame rates (50 fps for various in vitro cell samples and c. elegans in a micro-fluidic channel.

Influence of surface and finite size effects on the structural and magnetic properties of nanocrystalline lanthanum strontium perovskite manganites

Energy Technology Data Exchange (ETDEWEB)

Žvátora, Pavel [Department of Analytical Chemistry, Institute of Chemical Technology Prague, Technická 5, 166 28 Prague (Czech Republic); Veverka, Miroslav; Veverka, Pavel; Knížek, Karel; Závěta, Karel; Pollert, Emil [Department of Magnetism and Superconductors, Institute of Physics AS CR, Cukrovarnická 10/112, 162 00 Prague (Czech Republic); Král, Vladimír [Department of Analytical Chemistry, Institute of Chemical Technology Prague, Technická 5, 166 28 Prague (Czech Republic); Zentiva Development (Part of Sanofi Group), U Kabelovny 130, 102 37 Prague (Czech Republic); Goglio, Graziella; Duguet, Etienne [CNRS, University of Bordeaux, ICMCB, UPR 9048, 33600 Pessac (France); Kaman, Ondřej, E-mail: kamano@seznam.cz [Department of Magnetism and Superconductors, Institute of Physics AS CR, Cukrovarnická 10/112, 162 00 Prague (Czech Republic); Department of Cell Biology, Faculty of Science, Charles University, Viničná 7, 128 40 Prague (Czech Republic)

2013-08-15

Syntheses of nanocrystalline perovskite phases of the general formula La{sub 1−x}Sr{sub x}MnO{sub 3+δ} were carried out employing sol–gel technique followed by thermal treatment at 700–900 °C under oxygen flow. The prepared samples exhibit a rhombohedral structure with space group R3{sup ¯}c in the whole investigated range of composition 0.20≤x≤0.45. The studies were aimed at the chemical composition including oxygen stoichiometry and extrinsic properties, i.e. size of the particles, both influencing the resulting structural and magnetic properties. The oxygen stoichiometry was determined by chemical analysis revealing oxygen excess in most of the studied phases. The excess was particularly high for the samples with the smallest crystallites (12–28 nm) while comparative bulk materials showed moderate non-stoichiometry. These differences are tentatively attributed to the surface effects in view of the volume fraction occupied by the upper layer whose atomic composition does not comply with the ideal bulk stoichiometry. - Graphical abstract: Evolution of the particle size with annealing temperature in the nanocrystalline La{sub 0.70}Sr{sub 0.30}MnO{sub 3+δ} phase. Display Omitted - Highlights: • The magnetic behaviour of nanocrystalline La{sub 1−x}Sr{sub x}MnO{sub 3+δ} phases was analyzed on the basis of their crystal structure, chemical composition and size of the particles. • Their Curie temperature and magnetization are markedly affected by finite size and surface effects. • The oxygen excess observed in the La{sub 1−x}Sr{sub x}MnO{sub 3+δ} nanoparticles might be generated by the surface layer with deviated oxygen stoichiometry.

MSINDO quantum chemical modeling study of water molecule adsorption at nano-sized anatase TiO2 surfaces

International Nuclear Information System (INIS)

Wahab, Hilal S.; Bredow, Thomas; Aliwi, Salah M.

2008-01-01

In this work, we studied the adsorption of water molecule onto the (1 0 0), (0 1 0) and (0 0 1) surfaces of nano-sized anatase TiO 2 with semiempirical SCF MO method, MSINDO. The anatase TiO 2 particles are modeled with free clusters (TiO 2 ) n, where n = 20-80. Whereas, the surfaces have been modeled with two saturated clusters, Ti 21 O 58 H 32 and Ti 36 O 90 H 36 . The surface lattice fivefold coordinated titanium atoms (Ti 5C ), which represent the Lewis acid sites, are selected as adsorption centers. We also investigated the effect of TiO 2 cluster size on the computed band gap energy. Results reveal that the electronic properties of a cluster in the lowest excited state differ from that of the ground state. Furthermore, the MSINDO band gap energies of 3.68-3.77 eV for the anatase TiO 2 are in a fair accordance with other literature data. In agreement with other computational and experimental studies, the dissociated form of water molecule adsorption on anatase TiO 2 surfaces is always more stabilized than the molecular form

Structural and morphological characterization of TiO{sub 2} powders prepared using Pechini and combustion reaction; Caracterizacao estrutural e morfologica de nanopos de TiO{sub 2} preparados pelo metodo Pechini e por reacao de combustao

Energy Technology Data Exchange (ETDEWEB)

Ribeiro, P.C.; Almeida, E.P.; Costa, A.C.F.M. da; Lira, H.L., E-mail: pollyanacae@yahoo.com.b [Universidade Federal de Campina Grande (UFCG), PB (Brazil). Dept. de Engenharia de Materiais; Kiminami, R.H.G.A. [Universidade Federal de Sao Carlos (UFSCar), SP (Brazil). Dept. de Engenharia de Materiais

2010-07-01

TiO{sub 2} is a semiconductor oxide and polymorphic and can exist in three crystallographic forms: anatase, rutile and broquita, and forms anatase and rutile are the major interests in scientific research. Thus, this study aims to synthesize TiO{sub 2} by Pechini methods and combustion reaction and to evaluate the influence of synthesis methods in structural and morphological characteristics of the samples. The nanopowders were characterized by X-ray diffraction, nitrogen adsorption, and particle size distribution and scanning electron microscopy. The results of X-ray diffraction showed that the samples obtained by the Pechini method showed the single phase anatase with crystallite size of 20 nm and surface area of 49.44 m{sup 2}/g, whereas the samples synthesized by combustion reaction using glycine as fuel showed the rutile phase as major phase and traces of anatase phase, with crystallite size of 65 nm and surface area 4.34 m{sup 2}/g. (author)

Structural and morphological characterization of TiO2 powders prepared using Pechini and combustion reaction

International Nuclear Information System (INIS)

Ribeiro, P.C.; Almeida, E.P.; Costa, A.C.F.M. da; Lira, H.L.; Kiminami, R.H.G.A.

2010-01-01

TiO 2 is a semiconductor oxide and polymorphic and can exist in three crystallographic forms: anatase, rutile and broquita, and forms anatase and rutile are the major interests in scientific research. Thus, this study aims to synthesize TiO 2 by Pechini methods and combustion reaction and to evaluate the influence of synthesis methods in structural and morphological characteristics of the samples. The nanopowders were characterized by X-ray diffraction, nitrogen adsorption, and particle size distribution and scanning electron microscopy. The results of X-ray diffraction showed that the samples obtained by the Pechini method showed the single phase anatase with crystallite size of 20 nm and surface area of 49.44 m 2 /g, whereas the samples synthesized by combustion reaction using glycine as fuel showed the rutile phase as major phase and traces of anatase phase, with crystallite size of 65 nm and surface area 4.34 m 2 /g. (author)

Nanocrystalline Al-based alloys - lightweight materials with attractive mechanical properties

International Nuclear Information System (INIS)

Latuch, J; Cieslak, G; Dimitrov, H; Krasnowski, M; Kulik, T

2009-01-01

In this study, several ways of bulk nanocrystalline Al-based alloys' production by high-pressure compaction of powders were explored. The effect of chemical composition and compaction parameters on the structure, quality and mechanical properties of the bulk samples was studied. Bulk nanocrystalline Al-Mm-Ni-(Fe,Co) alloys were prepared by ball-milling of amorphous ribbons followed by consolidation. The maximum microhardness (540 HV0.1) was achieved for the samples compacted at 275 deg. C under 7.7 GPa (which resulted in an amorphous bulk) and nanocrystallised at 235 deg. C for 20 min. Another group of the produced materials were bulk nanocrystalline Al-Si-(Ni,Fe)-Mm alloys obtained by ball-milling of nanocrystalline ribbons and consolidation. The hardness of these samples achieved the value five times higher (350HV) than that of commercial 4xxx series Al alloys. Nanocrystalline Al-based alloys were also prepared by mechanical alloying followed by hot-pressing. In this group of materials, there were Al-Fe alloys containing 50-85 at.% of Al and ternary or quaternary Al-Fe-(Ti, Si, Ni, Mg, B) alloys. Microhardness of these alloys was in the range of 613 - 1235 HV0.2, depending on the composition.

Single-shot femtosecond-pulsed phase-shifting digital holography.

Science.gov (United States)

Kakue, Takashi; Itoh, Seiya; Xia, Peng; Tahara, Tatsuki; Awatsuji, Yasuhiro; Nishio, Kenzo; Ura, Shogo; Kubota, Toshihiro; Matoba, Osamu

2012-08-27

Parallel phase-shifting digital holography is capable of three-dimensional measurement of a dynamically moving object with a single-shot recording. In this letter, we demonstrated a parallel phase-shifting digital holography using a single femtosecond light pulse whose central wavelength and temporal duration were 800 nm and 96 fs, respectively. As an object, we set spark discharge in atmospheric pressure air induced by applying a high voltage to between two electrodes. The instantaneous change in phase caused by the spark discharge was clearly reconstructed. The reconstructed phase image shows the change of refractive index of air was -3.7 × 10(-4).

Surface properties of nanocrystalline TiO2 coatings in relation to the in vitro plasma protein adsorption

International Nuclear Information System (INIS)

Lorenzetti, M; Kobe, S; Novak, S; Bernardini, G; Santucci, A; Luxbacher, T

2015-01-01

This study reports on the selective adsorption of whole plasma proteins on hydrothermally (HT) grown TiO 2 -anatase coatings and its dependence on the three main surface properties: surface charge, wettability and roughness. The influence of the photo-activation of TiO 2 by UV irradiation was also evaluated. Even though the protein adhesion onto Ti-based substrates was only moderate, better adsorption of any protein (at pH = 7.4) occurred for the most negatively charged and hydrophobic substrate (Ti non-treated) and for the most nanorough and hydrophilic surface (HT Ti3), indicating that the mutual action of the surface characteristics is responsible for the attraction and adhesion of the proteins. The HT coatings showed a higher adsorption of certain proteins (albumin ‘passivation’ layer, apolipoproteins, vitamin D-binding protein, ceruloplasmin, α-2-HS-glycoprotein) and higher ratios of albumin to fibrinogen and albumin to immunoglobulin γ-chains. The UV pre-irradiation affected the surface properties and strongly reduced the adsorption of the proteins. These results provide in-depth knowledge about the characterization of nanocrystalline TiO 2 coatings for body implants and provide a basis for future studies on the hemocompatibility and biocompatibility of such surfaces. (paper)

Effect of annealing and impurity concentration on the TL characteristics of nanocrystalline Mn-doped CaF2

International Nuclear Information System (INIS)

Sahare, P.D.; Singh, Manveer; Kumar, Pratik

2015-01-01

Nanocrystalline samples of Mn-doped CaF 2 were synthesized by chemical coprecipitation method. The impurity concentration was varied in the range of 0.5–4.0 mol%. The structure of the synthesized material was confirmed using powder XRD analysis. TEM images of the nanoparticles show their size occurring mostly in the range of 35–40 nm, with clusters of some impurity phases formed on annealing of the material at higher temperatures. Detailed studies on TL showed that the structures of glow curves depend on Mn concentrations and annealing temperatures. Optimization of the concentration and annealing temperature showed that the sample (doped with 3.0 mol% and annealed at 673 K) has almost a single dosimetric glow peak appearing at around 492 K. EPR and PL spectra were further studied to understand the reasons for changes in the glow curve structures. All detailed studies on TL, PL and EPR showed that the changes in glow curve structures are caused not only by the stress connected with the difference in ionic radii of host Ca 2+ and the guest impurity Mn 3+ /Mn 2+ , but are also governed by other reasons, like diffusion of atmospheric oxygen and formation of impurity aggregates, such as, MnO 2 , Mn 3 O 4 , etc. This is true not only for nanocrystalline CaF 2 :Mn but could also be so for the bulk CaF 2 :Mn (TLD-400) and would thus help in understanding complex glow curve structure, high fading and the loss of reusability on annealing beyond 673 K. - Highlights: • Nanocrystalline material CaF 2 :Mn is prepared by simple coprecipitation method. • The material is studied by XRD, TEM, ESR, TL and PL techniques. • High impurity concentrations give rise to clusters causing material instability. • Changes in ESR and PL and glow curve structures are studied and explained. • Better characteristics than the bulk make the nanophosphor useful for dosimetry

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)

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

TiO{sub 2} nanoparticles obtained by laser ablation in water: Influence of pulse energy and duration on the crystalline phase

Energy Technology Data Exchange (ETDEWEB)

Giorgetti, E., E-mail: emilia.giorgetti@fi.isc.cnr.it [Istituto dei Sistemi Complessi (ISC) CNR, Via Madonna del Piano 10, 50019 Sesto Fiorentino (Italy); Muniz Miranda, M.; Caporali, S. [Dipartimento di Chimica “Ugo Schiff”, Università di Firenze, Via della Lastruccia 3, 50019 Sesto Fiorentino (Italy); Canton, P. [Dipartimento di Scienze Molecolari e Nanosistemi, Università Ca’ Foscari, Via Torino, 30170 Venezia-Mestre (Italy); Marsili, P. [Istituto dei Sistemi Complessi (ISC) CNR, Via Madonna del Piano 10, 50019 Sesto Fiorentino (Italy); Dipartimento di Fisica, Università di Pisa, Largo Bruno Pontecorvo 3, 56127 Pisa (Italy); Vergari, C.; Giammanco, F. [Dipartimento di Fisica, Università di Pisa, Largo Bruno Pontecorvo 3, 56127 Pisa (Italy)

2015-09-15

Highlights: • Laser ablation of Ti in water at 1064 nm and comparison of ns and ps temporal regimes. • Structural and spectroscopic characterization of the colloids: TiO{sub 2} is the predominant phase. • Determination of an energy window where ps ablation produces more anatase than rutile. • Modelling of the experimental dependence of anatase/rutile yield on pulse length and energy. - Abstract: We fabricated Ti oxide nanoparticles by laser ablation of a Ti target in doubly deionized water with ps or ns pulses at a laser wavelength of 1064 nm. Electron microscopy, Raman, X-ray diffraction and X-ray photoelectron spectroscopy showed that, while with ns pulses the dominant oxide phase is rutile, with ps pulses anatase is the most abundant form in an intermediate energy window centered around 25 mJ per pulse. This experimental behavior can be described by a theoretical model which calculates the pressure and temperature evolution of the ablated material and, from this, the rutile and anatase yield.

NATO Advanced Research Workshop on Properties and Applications of Nanocrystalline Alloys from Amorphous Precursors

CERN Document Server

Idzikowski, Bogdan; Miglierini, Marcel

2005-01-01

Metallic (magnetic and non-magnetic) nanocrystalline materials have been known for over ten years but only recent developments in the research into those complex alloys and their metastable amorphous precursors have created a need to summarize the most important accomplishments in the field. This book is a collection of articles on various aspects of metallic nanocrystalline materials, and an attempt to address this above need. The main focus of the papers is put on the new issues that emerge in the studies of nanocrystalline materials, and, in particular, on (i) new compositions of the alloys, (ii) properties of conventional nanocrystalline materials, (iii) modeling and simulations, (iv) preparation methods, (v) experimental techniques of measurements, and (vi) different modern applications. Interesting phenomena of the physics of nanocrystalline materials are a consequence of the effects induced by the nanocrystalline structure. They include interface physics, the influence of the grain boundaries, the aver...

Photocatalytic and magnetic properties of anatase doped with V.theoretical study swig DFT

International Nuclear Information System (INIS)

Cabeza, Gabriela F; Castellani, Norberto J

2008-01-01

The electronic properties and the presence of ferromagnetism in TiO 2 (anatase) doped with vanadium are investigated using calculations of first principles based on the theory of functional density. This work has a double purpose. First, to establish a relationship between the chemical nature of the doping element and the catalytic properties of the volume. Many studies state that anatase is an excellent photocatalytic semiconductor with possible applications in environmental purification and in the photodegradation of organic components. Anatase has a band width of ∼ 3eV, which can be excited only in the presence of ultraviolet light. Doping with transition metals will reduce this and facilitate excitation with visible light. Second, the effect of doping with V on the presence of magnetism in the substrate is clarified. The magnetic moment for an atom isolated from V is known to be 3 mB, while a volume of V is paramagnetic. Studies show that anatase doped with V displays ferromagnetism at room temperature, converting it into a potential diluted magnetic semiconductor (DMS) that may be used in spintronic instruments. The results obtained show that the presence of V produces a narrowing of 27% in the width of the gap favoring the adsorption at greater wave longitudes. Based on an analysis of the states density, the Fermi level does not cross any state indicating that it is an insulant. There are 3d states of the V located in the band width. The spin-up states are next to the Fermi level and the spin-down states are close to the conduction band. The imbalance between both states implies the presence of ferromagnetism. The magnetic moment found is ∼ 1 mB according to the experimental results obtained from the literature

Photoacoustic study of nanocrystalline silicon produced by mechanical grinding

Energy Technology Data Exchange (ETDEWEB)

Poffo, C.M. [Departamento de Engenharia Mecanica, Universidade Federal de Santa Catarina, Campus Universitario Trindade, C.P. 476, 88040-900 Florianopolis, Santa Catarina (Brazil); Lima, J.C. de, E-mail: fsc1jcd@fisica.ufsc.b [Departamento de Fisica, Universidade Federal de Santa Catarina, Campus Trindade, C.P. 476, 88040-900 Florianopolis, Santa Catarina (Brazil); Souza, S.M.; Triches, D.M. [Departamento de Engenharia Mecanica, Universidade Federal de Santa Catarina, Campus Universitario Trindade, C.P. 476, 88040-900 Florianopolis, Santa Catarina (Brazil); Grandi, T.A. [Departamento de Fisica, Universidade Federal de Santa Catarina, Campus Trindade, C.P. 476, 88040-900 Florianopolis, Santa Catarina (Brazil); Biasi, R.S. de [Secao de Engenharia Mecanica e de Materiais, Instituto Militar de Engenharia, 22290-270 Rio de Janeiro, RJ (Brazil)

2011-04-01

Mechanical grinding (MG) was used to produce nanocrystalline silicon and its thermal and transport properties were investigated by photoacoustic absorption spectroscopy (PAS). The experimental results suggest that in as-milled nanocrystalline silicon for 10 h the heat transfer through the crystalline and interfacial components is similar, and after annealed at 470 {sup o}C the heat transfer is controlled by crystalline component.

Photoacoustic study of nanocrystalline silicon produced by mechanical grinding

International Nuclear Information System (INIS)

Poffo, C.M.; Lima, J.C. de; Souza, S.M.; Triches, D.M.; Grandi, T.A.; Biasi, R.S. de

2011-01-01

Mechanical grinding (MG) was used to produce nanocrystalline silicon and its thermal and transport properties were investigated by photoacoustic absorption spectroscopy (PAS). The experimental results suggest that in as-milled nanocrystalline silicon for 10 h the heat transfer through the crystalline and interfacial components is similar, and after annealed at 470 o C the heat transfer is controlled by crystalline component.

Reversal of exchange bias in nanocrystalline antiferromagnetic-ferromagnetic bilayers

International Nuclear Information System (INIS)

Prados, C; Pina, E; Hernando, A; Montone, A

2002-01-01

The sign of the exchange bias in field cooled nanocrystalline antiferromagnetic-ferromagnetic bilayers (Co-O and Ni-O/permalloy) is reversed at temperatures approaching the antiferromagnetic (AFM) blocking temperature. A similar phenomenon is observed after magnetic training processes at similar temperatures. These effects can be explained assuming that the boundaries of nanocrystalline grains in AFM layers exhibit lower transition temperatures than grain cores

Load compensation for single phase system using series active filter

African Journals Online (AJOL)

user

Keywords: Active power filter (APF), current source type of harmonic load ... Single phase active filters could attract less attention than three phase due to its low ..... Generalised single-phase p-q theory for active power filtering: simulation and.

Magnetic Properties of Nanocrystalline FexCu1-x Alloys Prepared by Ball Milling

International Nuclear Information System (INIS)

Yousif, A.; Bouziane, K.; Elzain, M. E.; Ren, X.; Berry, F. J.; Widatallah, H. M.; Al Rawas, A.; Gismelseed, A.; Al-Omari, I. A.

2004-01-01

X-ray diffraction, Moessbauer and magnetization measurements were used to study Fe x Cu 1-x alloys prepared by ball-milling. The X-ray data show the formation of a nanocrystalline Fe-Cu solid solution. The samples with x≥0.8 and x≤0.5 exhibit bcc or fcc phase, respectively. Both the bcc and fcc phases are principally ferromagnetic for x≥0.2, but the sample with x=0.1 remains paramagnetic down to 78 K. The influence of the local environment on the hyperfine parameters and the local magnetic moment are discussed using calculations based on the discrete-variational method in the local density approximation.

Hubbard-U corrected Hamiltonians for non-self-consistent random-phase approximation total-energy calculations

DEFF Research Database (Denmark)

Patrick, Christopher; Thygesen, Kristian Sommer

2016-01-01

In non-self-consistent calculations of the total energy within the random-phase approximation (RPA) for electronic correlation, it is necessary to choose a single-particle Hamiltonian whose solutions are used to construct the electronic density and noninteracting response function. Here we...... investigate the effect of including a Hubbard-U term in this single-particle Hamiltonian, to better describe the on-site correlation of 3d electrons in the transitionmetal compounds ZnS, TiO2, and NiO.We find that the RPA lattice constants are essentially independent of U, despite large changes...... in the underlying electronic structure. We further demonstrate that the non-selfconsistent RPA total energies of these materials have minima at nonzero U. Our RPA calculations find the rutile phase of TiO2 to be more stable than anatase independent of U, a result which is consistent with experiments...

Study of effect of chromium on titanium dioxide phase transformation

Indian Academy of Sciences (India)

Administrator

the other hand, the effect of solution pH in phase stability .... pore size of anatase phase decreases with increase of ... range of 0–200 °C, corresponding to desorption of water .... The correlation revealed a straight line with a slope equal to 1 for ...

Preparation of anatase TiO{sub 2} thin film by low temperature annealing as an electron transport layer in inverted polymer solar cells

Energy Technology Data Exchange (ETDEWEB)

Noh, Hongche [Department of Chemical Engineering, Hanyang University, Seoul 133-791 (Korea, Republic of); Oh, Seong-Geun, E-mail: seongoh@hanyang.ac.kr [Department of Chemical Engineering, Hanyang University, Seoul 133-791 (Korea, Republic of); Im, Seung Soon, E-mail: imss007@hanyang.ac.kr [Department of Organic and Nano Engineering, Hanyang University, Seoul 133-791 (Korea, Republic of)

2015-04-01

Highlights: • Anatase thin film of TiO{sub 2} was prepared by low temperature annealing. • Anatase TiO{sub 2} colloidal solution was obtained from amorphous form through solvothermal process. • Anatase TiO{sub 2} colloidal solution was used to prepare thin film on ITO glass. • Polymer solar cell fabricated on anatase TiO{sub 2} thin film showed 2.6% of PCE. - Abstract: To prepare the anatase TiO{sub 2} thin films on ITO glass, amorphous TiO{sub 2} colloidal solution was synthesized through the simple sol-gel method by using titanium (IV) isopropoxide as a precursor. This amorphous TiO{sub 2} colloidal solution was spread on ITO glass by spin-coating, then treated at 450 °C to obtain anatase TiO{sub 2} film (for device A). For other TiO{sub 2} films, amorphous TiO{sub 2} colloidal solution was treated through solvothermal process at 180 °C to obtain anatase TiO{sub 2} colloidal solution. This anatase TiO{sub 2} colloidal solution was spread on ITO glass by spin coating, and then annealed at 200 °C (for device B) and 130 °C (for device C), respectively. The average particle size of amorphous TiO{sub 2} colloidal solution was about 1.0 nm and that of anatase TiO{sub 2} colloidal solution was 10 nm. The thickness of TiO{sub 2} films was about 15 nm for all cases. When inverted polymer solar cells were fabricated by using these TiO{sub 2} films as an electron transport layer, the device C showed the highest PCE (2.6%) due to the lack of defect, uniformness and high light absorbance of TiO{sub 2} films. The result of this study can be applied for the preparation of inverted polymer solar cell using TiO{sub 2} films as a buffer layer at low temperature on plastic substrate by roll-to roll process.

Ferromagnetism appears in nitrogen implanted nanocrystalline diamond films

Energy Technology Data Exchange (ETDEWEB)

Remes, Zdenek [Institute of Physics ASCR v.v.i., Cukrovarnicka 10, 162 00 Prague 6 (Czech Republic); Sun, Shih-Jye, E-mail: sjs@nuk.edu.tw [Department of Applied Physics, National University of Kaohsiung, Kaohsiung 811, Taiwan (China); Varga, Marian [Department of Applied Physics, National University of Kaohsiung, Kaohsiung 811, Taiwan (China); Chou, Hsiung [Department of Physics, National Sun Yat-Sen University, Kaohsiung 804, Taiwan (China); Hsu, Hua-Shu [Department of Applied Physics, National Pingtung University of Education, Pingtung 900, Taiwan (China); Kromka, Alexander [Department of Applied Physics, National University of Kaohsiung, Kaohsiung 811, Taiwan (China); Horak, Pavel [Nuclear Physics Institute, 250 68 Rez (Czech Republic)

2015-11-15

The nanocrystalline diamond films turn to be ferromagnetic after implanting various nitrogen doses on them. Through this research, we confirm that the room-temperature ferromagnetism of the implanted samples is derived from the measurements of magnetic circular dichroism (MCD) and superconducting quantum interference device (SQUID). Samples with larger crystalline grains as well as higher implanted doses present more robust ferromagnetic signals at room temperature. Raman spectra indicate that the small grain-sized samples are much more disordered than the large grain-sized ones. We propose that a slightly large saturated ferromagnetism could be observed at low temperature, because the increased localization effects have a significant impact on more disordered structure. - Highlights: • Nitrogen implanted nanocrystalline diamond films exhibit ferromagnetism at room temperature. • Nitrogen implants made a Raman deviation from the typical nanocrystalline diamond films. • The ferromagnetism induced from the structure distortion is dominant at low temperature.

Nanocrystalline Aluminum Truss Cores for Lightweight Sandwich Structures

Science.gov (United States)

Schaedler, Tobias A.; Chan, Lisa J.; Clough, Eric C.; Stilke, Morgan A.; Hundley, Jacob M.; Masur, Lawrence J.

2017-12-01

Substitution of conventional honeycomb composite sandwich structures with lighter alternatives has the potential to reduce the mass of future vehicles. Here we demonstrate nanocrystalline aluminum-manganese truss cores that achieve 2-4 times higher strength than aluminum alloy 5056 honeycombs of the same density. The scalable fabrication approach starts with additive manufacturing of polymer templates, followed by electrodeposition of nanocrystalline Al-Mn alloy, removal of the polymer, and facesheet integration. This facilitates curved and net-shaped sandwich structures, as well as co-curing of the facesheets, which eliminates the need for extra adhesive. The nanocrystalline Al-Mn alloy thin-film material exhibits high strength and ductility and can be converted into a three-dimensional hollow truss structure with this approach. Ultra-lightweight sandwich structures are of interest for a range of applications in aerospace, such as fairings, wings, and flaps, as well as for the automotive and sports industries.

Lithium ion intercalation into thin film anatase

International Nuclear Information System (INIS)

Kundrata, I.; Froehlich, K.; Ballo, P.

2015-01-01

The aim of this work is to find the optimal parameters for thin film TiO 2 anatase grown by Atomic layer deposition (ALD) for use as electrode in lithium ion batteries. Two parameters, the optimal film thickness and growth conditions are aimed for. Optimal film thickness for achieving optimum between capacity gained from volume and capacity gained by changing of the intercalation constant and optimal growth conditions for film conformity on structured substrates with high aspect ratio. Here we presents first results from this ongoing research and discuss future outlooks. (authors)

Syntheses of nanocrystalline BaTiO3 and their optical properties

Science.gov (United States)

Yu, J.; Chu, J.; Zhang, M.

Stoichiometric and titanium-excess nanocrystalline barium titanates were synthesized using a hydrothermal process at various hydrothermal temperatures and with further heat treatment at 500 °C and 900 °C. Owing to the different process conditions, the excess titanium exists in different states and configurations within the nanocrystalline BaTiO3 matrix; this was demonstrated by X-ray diffraction, Raman scattering, and photoluminescence. In these nanocrystalline BaTiO3, the 590, 571, 543 and 694 nm light emission bands were observed; mechanisms leading to such emissions were also discussed.

Electrochemistry of Inorganic Nanocrystalline Electrode Materials for Lithium Batteries

Directory of Open Access Journals (Sweden)

C. W. Kwon

2003-01-01

much different from that of traditional crystalline ones because of their significant ‘surface effects’. In connection with that, the nanocrystalline cathode materials are reported to have an enhanced electrochemical activity when the first significative electrochemical step is insertion of Li ions (discharge process. The “electrochemical grafting” concept will be given as a plausible explanation. As illustrative examples, electrochemical behaviors of nanocrystalline manganese oxydes are presented.

Unconventional phase transitions in a constrained single polymer chain

International Nuclear Information System (INIS)

Klushin, L I; Skvortsov, A M

2011-01-01

Phase transitions were recognized among the most fascinating phenomena in physics. Exactly solved models are especially important in the theory of phase transitions. A number of exactly solved models of phase transitions in a single polymer chain are discussed in this review. These are three models demonstrating the second order phase transitions with some unusual features: two-dimensional model of β-structure formation, the model of coil–globule transition and adsorption of a polymer chain grafted on the solid surface. We also discuss models with first order phase transitions in a single macromolecule which admit not only exact analytical solutions for the partition function with explicit finite-size effects but also the non-equilibrium free energy as a function of the order parameter (Landau function) in closed analytical form. One of them is a model of mechanical desorption of a macromolecule, which demonstrates an unusual first order phase transition with phase coexistence within a single chain. Features of first and second order transitions become mixed here due to phase coexistence which is not accompanied by additional interfacial free energy. Apart from that, there exist several single-chain models belonging to the same class (adsorption of a polymer chain tethered near the solid surface or liquid–liquid interface, and escape transition upon compressing a polymer between small pistons) that represent examples of a highly unconventional first order phase transition with several inter-related unusual features: no simultaneous phase coexistence, and hence no phase boundary, non-concave thermodynamic potential and non-equivalence of conjugate ensembles. An analysis of complex zeros of partition functions upon approaching the thermodynamic limit is presented for models with and without phase coexistence. (topical review)

High-pressure structural behaviour of nanocrystalline Ge

International Nuclear Information System (INIS)

Wang, H; Liu, J F; He, Y; Wang, Y; Chen, W; Jiang, J Z; Olsen, J Staun; Gerward, L

2007-01-01

The equation of state and the pressure of the I-II transition have been studied for nanocrystalline Ge using synchrotron x-ray diffraction. The bulk modulus and the transition pressure increase with decreasing particle size for both Ge-I and Ge-II, but the percentage volume collapse at the transition remains constant. Simplified models for the high-pressure structural behaviour are presented, based on the assumption that a large fraction of the atoms reside in grain boundary regions of the nanocrystalline material. The interface structure plays a significant role in affecting the transition pressure and the bulk modulus

Effect of grain size on corrosion of nanocrystalline copper in NaOH solution

International Nuclear Information System (INIS)

Luo Wei; Xu Yimin; Wang Qiming; Shi Peizhen; Yan Mi

2010-01-01

Research highlights: → Coppers display an active-passive-transpassive behaviour with duplex passive film. → Grain size variation has little effect on the overall corrosion behaviour of Cu. → Little effect on corrosion may be due to duplex passivation in NaOH solution. → Bulk nanocrystalline Cu show bamboo-like flake corrosion structure. - Abstract: Effect of grain size on corrosion of bulk nanocrystalline copper was investigated using potentiodynamic polarization measurements in 0.1 M NaOH solution. Bulk nanocrystalline copper was prepared by inert gas condensation and in situ warm compress (IGCWC) method. The grain sizes of all bulk nanocrystalline samples were determined to be 48, 68 and 92 nm using X-ray diffraction (XRD). Results showed that bulk coppers displayed an active-passive-transpassive behaviour with duplex passive films. From polycrystalline to nanocrystalline, grain size variation showed little effect on the overall corrosion resistance of copper samples.

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.

Structure and high photocatalytic activity of (N, Ta)-doped TiO{sub 2} nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Le, N. T. H.; Lam, V. D.; Manh, D. H.; Hong, L. V. [Institute of Materials Science, Vietnam Academy of Science and Technology, 18-Hoang Quoc Viet, Hanoi (Viet Nam); Thanh, T. D., E-mail: thanhxraylab@yahoo.com, E-mail: scyu@cbnu.ac.kr [Institute of Materials Science, Vietnam Academy of Science and Technology, 18-Hoang Quoc Viet, Hanoi (Viet Nam); Department of Physics, Chungbuk National University, Cheongju 28644 (Korea, Republic of); Pham, V.-T. [Center for Quantum Electronics, Institute of Physics, Vietnam Academy of Science and Technology, Hanoi (Viet Nam); Synchrotron SOLEIL, L' Orme des Merisiers, Boîte Postale, 48, 91192 Gif-sur-Yvette Cedex (France); Phan, T. L.; Yu, S. C., E-mail: thanhxraylab@yahoo.com, E-mail: scyu@cbnu.ac.kr [Department of Physics, Chungbuk National University, Cheongju 28644 (Korea, Republic of); Anh, T. X. [Center for Quantum Electronics, Institute of Physics, Vietnam Academy of Science and Technology, Hanoi (Viet Nam); Le, T. K. C. [Institut des Sciences Moleculaires d' Orsay, CNRS, Univ Paris-Sud, 91405 Orsay Cedex (France); Thammajak, N. [Synchrotron Light Research Institute, 111 University Avenue, Muang, Nakhon Ratchasima 30000 (Thailand)

2016-10-14

A hydrothermal method was used to prepare three nano-crystalline samples of TiO{sub 2} (S1), N-doped TiO{sub 2} (S2), and (N, Ta)-codoped TiO{sub 2} (S3) with average crystallite sizes (D) of 13–25 nm. X-ray diffraction studies confirmed a single phase of the samples with a tetragonal/anatase structure. A slight increase in the lattice parameters was observed when N and/or Ta dopants were doped into the TiO{sub 2} host lattice. Detailed analyses of extended X-ray absorption spectra indicated that N- and/or Ta-doping into TiO{sub 2} nanoparticles influenced the co-ordination number and radial distance (R) of Ti ions in the anatase structure. Concerning their absorption spectra, (N, Ta)-doping narrowed the band gap (E{sub g}) of TiO{sub 2} from 3.03 eV for S1 through 2.94 eV for S2 to 2.85 eV for S3. Such results revealed the applicability of these nanoparticles in the photocatalytic field working in the ultraviolet (UV)-visible region. Among these, photocatalytic activity of S3 was the strongest. By using S3 as a catalyst powder, the degradation efficiency of methylene blue solution was about 99% and 93% after irradiation of UV-visible light for 75 min and visible-light for 180 min, respectively.

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.

Amorphous and nanocrystalline phase formation in highly-driven Al-based binary alloys

International Nuclear Information System (INIS)

Kalay, Yunus Eren

2008-01-01

Remarkable advances have been made since rapid solidification was first introduced to the field of materials science and technology. New types of materials such as amorphous alloys and nanostructure materials have been developed as a result of rapid solidification techniques. While these advances are, in many respects, ground breaking, much remains to be discerned concerning the fundamental relationships that exist between a liquid and a rapidly solidified solid. The scope of the current dissertation involves an extensive set of experimental, analytical, and computational studies designed to increase the overall understanding of morphological selection, phase competition, and structural hierarchy that occurs under far-from equilibrium conditions. High pressure gas atomization and Cu-block melt-spinning are the two different rapid solidification techniques applied in this study. The research is mainly focused on Al-Si and Al-Sm alloy systems. Silicon and samarium produce different, yet favorable, systems for exploration when alloyed with aluminum under far-from equilibrium conditions. One of the main differences comes from the positions of their respective T 0 curves, which makes Al-Si a good candidate for solubility extension while the plunging T 0 line in Al-Sm promotes glass formation. The rapidly solidified gas-atomized Al-Si powders within a composition range of 15 to 50 wt% Si are examined using scanning and transmission electron microscopy. The non-equilibrium partitioning and morphological selection observed by examining powders at different size classes are described via a microstructure map. The interface velocities and the amount of undercooling present in the powders are estimated from measured eutectic spacings based on Jackson-Hunt (JH) and Trivedi-Magnin-Kurz (TMK) models, which permit a direct comparison of theoretical predictions. For an average particle size of 10 (micro)m with a Peclet number of ∼0.2, JH and TMK deviate from each other. This

Fabrication and characterization of nanostructured anatase TiO{sub 2} films prepared by electrochemical anodization and their photocatalytic properties

Energy Technology Data Exchange (ETDEWEB)

Yurddaskal, Metin [Dokuz Eylul University, The Graduate School of Natural and Applied Sciences, Buca 35390, Izmir (Turkey); Dokuz Eylul University, Center for Fabrication and Applications of Electronic Materials (EMUM), Buca, 35390, Izmir (Turkey); Dikici, Tuncay, E-mail: tuncay.dikici@ikc.edu.tr [Dokuz Eylul University, The Graduate School of Natural and Applied Sciences, Buca 35390, Izmir (Turkey); Izmir Katip Celebi University, Department of Materials Science and Engineering, Cigli 35620, Izmir (Turkey); Yildirim, Serdar [Dokuz Eylul University, The Graduate School of Natural and Applied Sciences, Buca 35390, Izmir (Turkey); Dokuz Eylul University, Center for Fabrication and Applications of Electronic Materials (EMUM), Buca, 35390, Izmir (Turkey); Yurddaskal, Melis [Celal Bayar University, Department of Mechanical Engineering, Muradiye, 45140 Manisa (Turkey); Toparli, Mustafa; Celik, Erdal [Dokuz Eylul University, Center for Fabrication and Applications of Electronic Materials (EMUM), Buca, 35390, Izmir (Turkey); Dokuz Eylul University, Department of Metallurgical and Materials Engineering, Buca 35390, Izmir (Turkey)

2015-12-05

In this study, nanostructured anatase titanium dioxide (TiO{sub 2}) films were fabricated by electrochemical anodization of titanium first, and then annealed at 500 °C for 2 h. Effect of electrolyte concentration, anodization time and electrolyte temperature on the surface morphology of the resulting TiO{sub 2} thin films were investigated. The phase structures, surface morphology and chemical composition were analyzed using X-ray diffraction (XRD), scanning electron microscope (SEM), atomic force microscopy (AFM) and X-ray photoelectron spectroscopy (XPS). The photocatalytic activity tests of the samples were evaluated by the degradation of aqueous methylene blue (MB) solutions under UV light illumination for different periods of time. The results showed that the structure of nanostructured TiO{sub 2} films depended strongly on the anodization parameters. It was found that there were micro-scale pores (<10 μm) and nano-scale pores (diameter in the range from 40 to 70 nm) on the anodized titanium surfaces. This study indicated that structures, surface morphology, and surface area of the nanostructured anatase TiO{sub 2} films played an important role on their photocatalytic performance. The results clearly proved that nanostructured anatase TiO{sub 2} film prepared with optimum process parameters resulted in enhancement of the photocatalytic activity. - Highlights: • TiO{sub 2} thin films were prepared on titanium substrates by electrochemical anodization at 30 V. • Effect of various anodization parameters on the photocatalytic activity of titanium was investigated. • Micro- and nanoscale TiO{sub 2} pores formed on the titanium by anodizing. • Surface morphology of the TiO{sub 2} films plays an important role on the photocatalytic performance. • The sample anodized for 240 min showed the highest photocatalytic activity.

Synthesis of Mesoporous Nanocrystalline Zirconia by Surfactant-Assisted Hydrothermal Approach.

Science.gov (United States)

Nath, Soumav; Biswas, Ashik; Kour, Prachi P; Sarma, Loka S; Sur, Ujjal Kumar; Ankamwar, Balaprasad G

2018-08-01

In this paper, we have reported the chemical synthesis of thermally stable mesoporous nanocrystalline zirconia with high surface area using a surfactant-assisted hydrothermal approach. We have employed different type of surfactants such as CTAB, SDS and Triton X-100 in our synthesis. The synthesized nanocrystalline zirconia multistructures exhibit various morphologies such as rod, mortar-pestle with different particle sizes. We have characterized the zirconia multistructures by X-ray diffraction study, Field emission scanning electron microscopy, Attenuated total refection infrared spectroscopy, UV-Vis spectroscopy and photoluminescence spectroscopy. The thermal stability of as synthesized zirconia multistructures was studied by thermo gravimetric analysis, which shows the high thermal stability of nanocrystalline zirconia around 900 °C temperature.

Effect of solution composition on anatase to rutile transformation of sprayed TiO{sub 2} thin films

Energy Technology Data Exchange (ETDEWEB)

Juma, Albert Owino, E-mail: albert.juma@ttu.ee [Laboratory of Thin Film Chemical Technologies, Department of Materials Science, Tallinn University of Technology, Ehitajate tee 5, EE-19086 Tallinn (Estonia); Acik, Ilona Oja [Laboratory of Thin Film Chemical Technologies, Department of Materials Science, Tallinn University of Technology, Ehitajate tee 5, EE-19086 Tallinn (Estonia); Mikli, Valdek [Chair of Semiconductor Materials Technology, Department of Materials Science, Tallinn University of Technology, Ehitajate tee 5, EE-19086 Tallinn (Estonia); Mere, Arvo; Krunks, Malle [Laboratory of Thin Film Chemical Technologies, Department of Materials Science, Tallinn University of Technology, Ehitajate tee 5, EE-19086 Tallinn (Estonia)

2015-11-02

Acetylacetone is used as a chelating agent for titanium(IV) isopropoxide to inhibit hydrolysis and stabilize the precursor solution. The effect of the molar ratio between titanium(IV) isopropoxide and acetylacetone of 1:1, 1:2, 1:3 and 1:4 in the precursor solution on the morphological, structural and optical properties of TiO{sub 2} thin film was investigated. These properties were studied using Fourier transformed infrared spectroscopy, scanning electron microscopy, Raman spectroscopy, X-ray diffraction and UV–vis spectroscopy as a function of the molar ratios for the as-deposited thin films and films annealed at temperatures of 700, 800 and 950 °C. Mixed anatase and rutile phases were detected after annealing at 800 °C for 1:1 and 1:2 molar ratios and at 700 °C for 1:3 and 1:4 molar ratios. The optical band gap decreased from 3.45 to 3.02 eV with an increase in the annealing temperature in agreement with corresponding structural changes. - Highlights: • The grain sizes of TiO{sub 2} thin films could be varied over the range of 20 to 210 nm. • TTIP and AcacH ratio affects the transformation process from anatase to rutile. • TiO{sub 2} bandgap decreased from 3.45 to 3.02 eV with an increase in annealing temperature.

Nanocrystalline Ni-Co Alloy Synthesis by High Speed Electrodeposition

OpenAIRE

Idris, Jamaliah; Christian, Chukwuekezie; Gaius, Eyu

2013-01-01

Electrodeposition of nanocrystals is economically and technologically viable production path for the synthesis of pure metals and alloys both in coatings and bulk form. The study presents nanocrystalline Ni-Co alloy synthesis by high speed electrodeposition. Nanocrystalline Ni-Co alloys coatings were prepared by direct current (DC) and deposited directly on steel and aluminum substrates without any pretreatment, using high speed electrodeposition method. The influence of the electrolysis par...

Simulation of the phenomenon of single-phase and two-phase natural circulation

International Nuclear Information System (INIS)

Castrillo, Lazara Silveira

1998-02-01

Natural convection phenomenon is often used to remove the residual heat from the surfaces of bodies where the heat is generated e.g. during accidents or transients of nuclear power plants. Experimental study of natural circulation can be done in small scale experimental circuits and the results can be extrapolated for larger operational facilities. The numerical analysis of transients can be carried out by using large computational codes that simulate the thermohydraulic behavior in such facilities. The computational code RELAP5/MOD2, (Reactor Excursion and Leak Analysis Program) was developed by U.S. Nuclear Regulatory Commissions's. Division of Reactor Safety Research with the objective of analysis of transients and postulated accidents in the light water reactor (LWR) systems, including small and large ruptures with loss of coolant accidents (LOCA's). The results obtained by the simulation of single-phase and two-phase natural circulation, using the RELAP5/MOD2, are presented in this work. The study was carried out using the experimental circuit built at the 'Departamento de Engenharia Quimica da Escola Politecnica da Universidade de Sao Paulo'. In the circuit, two experiments were carried out with different conditions of power and mass flow, obtaining a single-phase regime with a level of power of 4706 W and flow of 5.10 -5 m 3 /s (3 l/min) and a two-phase regime with a level of power of 6536 W and secondary flow 2,33.10 -5 m 3 /s (1,4 l/min). The study allowed tio evaluate the capacity of the code for representing such phenomena as well as comparing the transients obtained theoretically with the experimental results. The comparative analysis shows that the code represents fairly well the single-phase transient, but the results for two-phase transients, starting from the nodalization and calibration used for the case single-phase transient, did not reproduce faithfully some experimental results. (author)

Presence of glassy state and large exchange bias in nanocrystalline BiFeO3

Science.gov (United States)

Srivastav, Simant Kumar; Johari, Anima; Patel, S. K. S.; Gajbhiye, N. S.

2017-11-01

We investigated the static and dynamic aspects of the magnetic properties for single phase nanocrystalline BiFeO3 with average crystallite size of 35 nm. The frequency dependence of the peak is observed in the real part of ac susceptibility χ‧ac vs T measurement and described well by the Vogel-Fulcher law as well as the power law. These analyses indicated the existence of cluster glass state with significant interaction among the spin clusters and results in cluster-glass like cooperative freezing at low temperature. The influence of temperature and magnetic field cooling on the exchange bias effect is investigated. A training effect is also observed. We have reported a significantly high ZFC & FC exchange bias of 200 Oe & 450 Oe at 300 K and 900 Oe & 2100 Oe at 5 K. The obtained results are interpreted in the framework of core-shell model, where the core of the BFO nanoparticles shows antiferromagnetic behavior and surrounded by CG-like ferromagnetic (FM) shell associated to uncompensated surface spins.

Accumulation and recovery of defects in ion-irradiated nanocrystalline gold

Energy Technology Data Exchange (ETDEWEB)

Chimi, Y. E-mail: chimi@popsvr.tokai.jaeri.go.jp; Iwase, A.; Ishikawa, N.; Kobiyama, M.; Inami, T.; Okuda, S

2001-09-01

Effects of 60 MeV {sup 12}C ion irradiation on nanocrystalline gold (nano-Au) are studied. The experimental results show that the irradiation-produced defects in nano-Au are thermally unstable because of the existence of a large volume fraction of grain boundaries. This suggests a possibility of the use of nanocrystalline materials as irradiation-resistant materials.

The exploration of stability of two-dimensional nanocrystalline metallic composites depending on temperature

International Nuclear Information System (INIS)

Poletayev, G.M.; Starostenkov, M.D.; Popova, G.V.; Skakov, M.K.

2004-01-01

Full text: In nanocrystalline compositional materials the borders of phase separation play special role. The detection of stability of the borders of phase separation depending on external conditions, such pressure, temperature of alloying is the important task in the case of nanocrystalline materials. In the current paper the stability of two-dimensional nanocrystal, composite on the basis of Ni-Al system, depending on the structure of compositional material and vacancy availability is studied. Atomic packing in two-dimensional crystal corresponds to the plane (111) of fee crystal structure, or the plane (111) of superstructure L1 2 of intermetallide system Ni-Al. The interaction between atoms is set by pair potential functions of Morse, that consider interatomic bonding in the first six coordinate spheres. The calculated block was expressed in atomic packing in the cell 40x40. Beyond the bounds of the calculated block crystal is repeated with the help of periodical border conditions. Computer modeling is performed according to the method of molecular dynamics, when speeds of atom dislocations depending on temperature are set in accidental way, according to Boltzmann allocation. Two-dimensional material was represented by different packs of phases, clean Ni, Al and intermetallic superstructure NiAl in accordance with concentrations, structures and forms. It was understood that when the concentration in composite of phase of clean Al increases, or when the number of Al atoms in intermetallide rises, the initial temperature of thermo activated diffusing destruction of interphase borders turns out to be very low. On the other hand, when the part of clean nickel increases or when the concentration of clean Ni atoms in the structure (L1 2 ) rises, diffusion stability of interphase borders is observes right up to high temperatures. According to the results, basic diffusion processes take place right on interphase borders

Role of chlorine in the nanocrystalline silicon film formation by rf plasma-enhanced chemical vapor deposition of chlorinated materials

International Nuclear Information System (INIS)

Shirai, Hajime

2004-01-01

We demonstrate the disorder-induced low-temperature crystallization in the nanocrystalline silicon film growth by rf plasma-enhanced chemical vapor deposition of H 2 -diluted SiH 2 Cl 2 and SiCl 4 . The combination of the chemical reactivity of SiCld (d: dangling bond) and SiHCl complexes and the release of the disorder-induced stress near the growing surface tightly correlate with the phase transitionity of SiCld and SiHCl complexes near the growing surface with the aid of atomic hydrogen, which induce higher degree of disorder in the a-Si network. These features are most prominent in the SiCl 4 compared with those of SiH 2 Cl 2 and SiH 4 , which preferentially enhance the nanocrystalline Si formation

Nanocrystalline LiMn2O4 thin film cathode material prepared by polymer spray pyrolysis method for Li-ion battery

International Nuclear Information System (INIS)

Karthick, S.N.; Richard Prabhu Gnanakan, S.; Subramania, A.; Kim, Hee-Je

2010-01-01

Nanocrystalline cubic spinel lithium manganese oxide thin film was prepared by a polymer spray pyrolysis method using lithium acetate and manganese acetate precursor solution and polyethylene glycol-4000 as a polymeric binder. The substrate temperature was selected from the thermogravimetric analysis by finding the complete crystallization temperature of LiMn 2 O 4 precursor sample. The deposited LiMn 2 O 4 thin films were annealed at 450, 500 and 600 o C for 30 min. The thin film annealed at 600 o C was found to be the sufficient temperature to form high phase pure nanocrystalline LiMn 2 O 4 thin film. The formation of cubic spinel thin film was confirmed by X-ray diffraction study. Scanning electron microscopy and atomic force microscopy analysis revealed that the thin film annealed at 600 o C was found to be nanocrystalline in nature and the surface of the films were uniform without any crack. The electrochemical charge/discharge studies of the prepared LiMn 2 O 4 film was found to be better compared to the conventional spray pyrolysed thin film material.

A phenomenological variational multiscale constitutive model for intergranular failure in nanocrystalline materials

KAUST Repository

Siddiq, A.; El Sayed, Tamer S.

2013-01-01

We present a variational multiscale constitutive model that accounts for intergranular failure in nanocrystalline fcc metals due to void growth and coalescence in the grain boundary region. Following previous work by the authors, a nanocrystalline

Biologically inspired rosette nanotubes and nanocrystalline hydroxyapatite hydrogel nanocomposites as improved bone substitutes

International Nuclear Information System (INIS)

Zhang Lijie; Webster, Thomas J; Rodriguez, Jose; Raez, Jose; Myles, Andrew J; Fenniri, Hicham

2009-01-01

Today, bone diseases such as bone fractures, osteoporosis and bone cancer represent a common and significant public health problem. The design of biomimetic bone tissue engineering materials that could restore and improve damaged bone tissues provides exciting opportunities to solve the numerous problems associated with traditional orthopedic implants. Therefore, the objective of this in vitro study was to create a biomimetic orthopedic hydrogel nanocomposite based on the self-assembly properties of helical rosette nanotubes (HRNs), the osteoconductive properties of nanocrystalline hydroxyapatite (HA), and the biocompatible properties of hydrogels (specifically, poly(2-hydroxyethyl methacrylate), pHEMA). HRNs are self-assembled nanomaterials that are formed from synthetic DNA base analogs in water to mimic the helical nanostructure of collagen in bone. In this study, different geometries of nanocrystalline HA were controlled by either hydrothermal or sintering methods. 2 and 10 wt% nanocrystalline HA particles were well dispersed into HRN hydrogels using ultrasonication. The nanocrystalline HA and nanocrystalline HA/HRN hydrogels were characterized by x-ray diffraction, transmission electron microscopy, and scanning electron microscopy. Mechanical testing studies revealed that the well dispersed nanocrystalline HA in HRN hydrogels possessed improved mechanical properties compared to hydrogel controls. In addition, the results of this study provided the first evidence that the combination of either 2 or 10 wt% nanocrystalline HA and 0.01 mg ml -1 HRNs in hydrogels greatly increased osteoblast (bone-forming cell) adhesion up to 236% compared to hydrogel controls. Moreover, this study showed that HRNs stimulated HA nucleation and mineralization along their main axis in a way that is very reminiscent of the HA/collagen assembly pattern in natural bone. In summary, the presently observed excellent properties of the biomimetic nanocrystalline HA/HRN hydrogel composites

Interaction of photoactive cis(CO)-trans(I)-Ru-(4,4‧-dicarboxylate-2,2‧-bipyridine)(CO)2I2 with anatase (1 0 1) surface

Science.gov (United States)

Haukka, Matti; Hirva, Pipsa

2002-06-01

The coordination of cis(CO)-trans(I)-Ru(4,4‧-dicarboxylate-2,2‧-bipyridine)(CO)2I2 on an anatase (1 0 1) surface was investigated using a computational density functional method. The adsorbate is able to interact with the anatase surface by one or two carboxylate substituents of the bipyridine ligand. Three of the studied coordination modes involved a single carboxylate as the binding group, including monodentate (1M), bidentate chelating (1BC) and bidentate bridging (1BB) modes. The possibility of monodentate binding via both carboxylate groups in (2M) was also studied. The results showed that the multidentate binding is clearly preferred over monodentate coordination. The stability of the modes increased in the order 1M, 1BC, 1BB and 2M. The flexibility of the bipyridine ligand was found to be the key factor in the binding via two carboxylate groups.

Mueller matrix spectroscopic ellipsometry study of chiral nanocrystalline cellulose films

Science.gov (United States)

Mendoza-Galván, Arturo; Muñoz-Pineda, Eloy; Ribeiro, Sidney J. L.; Santos, Moliria V.; Järrendahl, Kenneth; Arwin, Hans

2018-02-01

Chiral nanocrystalline cellulose (NCC) free-standing films were prepared through slow evaporation of aqueous suspensions of cellulose nanocrystals in a nematic chiral liquid crystal phase. Mueller matrix (MM) spectroscopic ellipsometry is used to study the polarization and depolarization properties of the chiral films. In the reflection mode, the MM is similar to the matrices reported for the cuticle of some beetles reflecting near circular left-handed polarized light in the visible range. The polarization properties of light transmitted at normal incidence for different polarization states of incident light are discussed. By using a differential decomposition of the MM, the structural circular birefringence and dichroism of a NCC chiral film are evaluated.

Synthesis and sintering of nanocrystalline hydroxyapatite powders by citric acid sol-gel combustion method

International Nuclear Information System (INIS)

Han Yingchao; Li Shipu; Wang Xinyu; Chen Xiaoming

2004-01-01

The citric acid sol-gel combustion method has been used for the synthesis of nanocrystalline hydroxyapatite (HAP) powder from calcium nitrate, diammonium hydrogen phosphate and citric acid. The phase composition of HAP powder was characterized by X-ray powder diffraction analysis (XRD). The morphology of HAP powder was observed by transmission electron microscope (TEM). The HAP powder has been sintered into microporous ceramic in air at 1200 deg. C with 3 h soaking time. The microstructure and phase composition of the resulting HAP ceramic were characterized by scanning electron microscope (SEM) and XRD, respectively. The physical characterization of open porosity and flexural strength have also been carried out

Granular nanocrystalline zirconia electrolyte layers deposited on porous SOFC cathode substrates

International Nuclear Information System (INIS)

Seydel, Johannes; Becker, Michael; Ivers-Tiffee, Ellen; Hahn, Horst

2009-01-01

Thin granular yttria-stabilized zirconia (YSZ) electrolyte layers were prepared by chemical vapor synthesis and deposition (CVD/CVS) on a porous substoichiometric lanthanum-strontium-manganite (ULSM) solid oxide fuel cell cathode substrate. The substrate porosity was optimized with a screen printed fine porous buffer layer. Structural analysis by scanning electron microscopy showed a homogeneous, granular nanocrystalline layer with a microstructure that was controlled via reactor settings. The CVD/CVS gas-phase process enabled the deposition of crack-free granular YSZ films on porous ULSM substrates. The electrolyte layers characterized with impedance spectroscopy exhibited enhanced grain boundary conductivity.

Structure and properties of nanocrystalline soft magnetic composite materials with silicon polymer matrix

International Nuclear Information System (INIS)

Dobrzanski, L.A.; Nowosielski, R.; Konieczny, J.; PrzybyI, A.; WysIocki, J.

2005-01-01

The paper concerns investigation of nanocrystalline composites technology preparation. The composites in the form of rings with rectangular transverse section, and with polymer matrix and nanocrystalline metallic powders fulfillment were made, for obtaining good ferromagnetic properties. The nanocrystalline ferromagnetic powders were manufactured by high-energy ball milling of metallic glasses strips in an as-quenched state. Generally for investigation, Co matrix alloys with the silicon polymer were used. Magnetic properties in the form of hysteresis loop by rings method were measured. Generally composite cores showed lower soft ferromagnetic properties than winded cores of nanocrystalline strips, but composite cores showed interesting mechanical properties. Furthermore, the structure of strips and powders on properties of composites were investigated

Arsenic removal by magnetic nanocrystalline barium hexaferrite

International Nuclear Information System (INIS)

Patel, Hasmukh A.; Byun, Jeehye; Yavuz, Cafer T.

2012-01-01

Nanoscale magnetite (Fe 3 O 4 ) ( 12 O 19 , BHF) is a well-known permanent magnet (i.e., fridge magnets) and attractive due to its low cost in making large quantities. BHF offers a viable alternative to magnetite nanocrystals for arsenic removal since it features surfaces similar to iron oxides but with much enhanced magnetism. Herein, we employ BHF nanocrystalline materials for the first time in arsenic removal from wastewater. Our results show better (75 %) arsenic removal than magnetite of the similar sizes. The BHF nanoparticles, 6.06 ± 0.52 nm synthesized by thermolysis method at 320 °C do not show hexagonal phase, however, subsequent annealing at 750 °C produced pure hexagonal BHF in >200 nm assemblies. By using BHF, we demonstrate that nanoparticle removal is more efficient and fixed bed type cartridge applications are more possible.

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)

Silver film on nanocrystalline TiO{sub 2} support: Photocatalytic and antimicrobial ability

Energy Technology Data Exchange (ETDEWEB)

Vukoje, Ivana D., E-mail: ivanav@vinca.rs [Vinča Institute of Nuclear Sciences, University of Belgrade, P.O. Box 522, 11000 Belgrade (Serbia); Tomašević-Ilić, Tijana D., E-mail: tommashev@gmail.com [Vinča Institute of Nuclear Sciences, University of Belgrade, P.O. Box 522, 11000 Belgrade (Serbia); Zarubica, Aleksandra R., E-mail: zarubica2000@yahoo.com [Department of Chemistry, Faculty of Science and Mathematics, University of Niš, Višegradska 33, 18000 Niš (Serbia); Dimitrijević, Suzana, E-mail: suzana@tmf.bg.ac.rs [Faculty of Technology and Metallurgy, University of Belgrade, Karnegijeva 4, 11000 Belgrade (Serbia); Budimir, Milica D., E-mail: mickbudimir@gmail.com [Vinča Institute of Nuclear Sciences, University of Belgrade, P.O. Box 522, 11000 Belgrade (Serbia); Vranješ, Mila R., E-mail: mila@vinca.rs [Vinča Institute of Nuclear Sciences, University of Belgrade, P.O. Box 522, 11000 Belgrade (Serbia); Šaponjić, Zoran V., E-mail: saponjic@vinca.rs [Vinča Institute of Nuclear Sciences, University of Belgrade, P.O. Box 522, 11000 Belgrade (Serbia); Nedeljković, Jovan M., E-mail: jovned@vinca.rs [Vinča Institute of Nuclear Sciences, University of Belgrade, P.O. Box 522, 11000 Belgrade (Serbia)

2014-12-15

Highlights: • Simple photocatalytic rout for deposition of Ag on nanocrystalline TiO{sub 2} films. • High antibactericidal efficiency of deposited Ag on TiO{sub 2} support. • Improved photocatalytic performance of TiO{sub 2} films in the presence of deposited Ag. - Abstract: Nanocrystalline TiO{sub 2} films were prepared on glass slides by the dip coating technique using colloidal solutions consisting of 4.5 nm particles as a precursor. Photoirradiation of nanocrystalline TiO{sub 2} film modified with alanine that covalently binds to the surface of TiO{sub 2} and at the same time chelate silver ions induced formation of metallic silver film. Optical and morphological properties of thin silver films on nanocrystalline TiO{sub 2} support were studied by absorption spectroscopy and atomic force microscopy. Improvement of photocatalytic performance of nanocrystalline TiO{sub 2} films after deposition of silver was observed in degradation reaction of crystal violet. Antimicrobial ability of deposited silver films on nanocrystalline TiO{sub 2} support was tested in dark as a function of time against Escherichia coli, Staphylococcus aureus, and Candida albicans. The silver films ensured maximum cells reduction of both bacteria, while the fungi reduction reached satisfactory 98.45% after 24 h of contact.

Direct Coating of Nanocrystalline Diamond on Steel

Science.gov (United States)

Tsugawa, Kazuo; Kawaki, Shyunsuke; Ishihara, Masatou; Hasegawa, Masataka

2012-09-01

Nanocrystalline diamond films have been successfully deposited on stainless steel substrates without any substrate pretreatments to promote diamond nucleation, including the formation of interlayers. A low-temperature growth technique, 400 °C or lower, in microwave plasma chemical vapor deposition using a surface-wave plasma has cleared up problems in diamond growth on ferrous materials, such as the surface graphitization, long incubation time, substrate softening, and poor adhesion. The deposited nanocrystalline diamond films on stainless steel exhibit good adhesion and tribological properties, such as a high wear resistance, a low friction coefficient, and a low aggression strength, at room temperature in air without lubrication.

Dislocation/hydrogen interaction mechanisms in hydrided nanocrystalline palladium films

International Nuclear Information System (INIS)

Amin-Ahmadi, Behnam; Connétable, Damien; Fivel, Marc; Tanguy, Döme; Delmelle, Renaud; Turner, Stuart; Malet, Loic; Godet, Stephane; Pardoen, Thomas; Proost, Joris; Schryvers, Dominique

2016-01-01

The nanoscale plasticity mechanisms activated during hydriding cycles in sputtered nanocrystalline Pd films have been investigated ex-situ using advanced transmission electron microscopy techniques. The internal stress developing within the films during hydriding has been monitored in-situ. Results showed that in Pd films hydrided to β-phase, local plasticity was mainly controlled by dislocation activity in spite of the small grain size. Changes of the grain size distribution and the crystallographic texture have not been observed. In contrast, significant microstructural changes were not observed in Pd films hydrided to α-phase. Moreover, the effect of hydrogen loading on the nature and density of dislocations has been investigated using aberration-corrected TEM. Surprisingly, a high density of shear type stacking faults has been observed after dehydriding, indicating a significant effect of hydrogen on the nucleation energy barriers of Shockley partial dislocations. Ab-initio calculations of the effect of hydrogen on the intrinsic stable and unstable stacking fault energies of palladium confirm the experimental observations.

Tuning the Phase and Microstructural Properties of TiO2 Films Through Pulsed Laser Deposition and Exploring Their Role as Buffer Layers for Conductive Films