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Sample records for monoclinic se nanoparticles

  1. Chemical synthesis of Cu2Se nanoparticles at room temperature

    International Nuclear Information System (INIS)

    Rong, Fengxia; Bai, Yan; Chen, Tianfeng; Zheng, Wenjie

    2012-01-01

    Graphical abstract: The Cu 2 Se nanoparticles were synthesized by a simple and rapid method at room temperature. The TEM and SEM images show that the Cu 2 Se nanoparticles were spherical. Highlights: ► Cu 2 Se nanoparticles were synthesized by the reaction of nanoSe 0 sol with Cu + ions. ► The Cu 2 Se nanoparticles were spherical with cubic structure and well crystallized. ► Optical and electrochemical properties of Cu 2 Se nanoparticles were observed. ► The formation mechanism of Cu 2 Se nanoparticles was proposed. -- Abstract: A simple and rapid method has been developed to synthesize cuprous selenide (Cu 2 Se) nanoparticles by the reaction of selenium nanoparticles sol with copper sulfate solution containing ascorbic acid at room temperature. Cu 2 Se nanoparticles were characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), and energy dispersive X-ray analysis (EDX). The results indicated that Cu 2 Se nanoparticles were cubic crystal structure and spherical with the diameter about 75 nm. The ultraviolet–visible absorption spectrum (UV–vis) and cyclic voltammetry of Cu 2 Se nanoparticles were also investigated. The optical band gap energy of Cu 2 Se nanoparticles was 1.94 eV. On the basis of a series of experiments and characterizations, the formation mechanism of Cu 2 Se nanoparticles was discussed.

  2. Optical studies of CdSe/HgSe and CdSe/Ag2Se core/shell nanoparticles embedded in gelatin

    International Nuclear Information System (INIS)

    Azhniuk, Yu M; Dzhagan, V M; Valakh, M Ya; Raevskaya, A E; Stroyuk, A L; Kuchmiy, S Ya; Zahn, D R T

    2008-01-01

    CdSe/HgSe and CdSe/Ag 2 Se core-shell nanoparticles are obtained by colloidal synthesis from aqueous solutions in the presence of gelatin. Optical absorption, luminescence, and Raman spectra of the nanoparticles obtained are measured. The variation of the optical spectra of CdSe/HgSe and CdSe/Ag 2 Se core-shell nanoparticles with the shell thickness is discussed. Sharp non-monotonous variation of the photoluminescence spectra at low shell coverage is observed.

  3. Semiconductor-metal transition of Se in Ru-Se Catalyst Nanoparticles

    Science.gov (United States)

    Babu, P. K.; Lewera, Adam; Oldfield, Eric; Wieckowski, Andrzej

    2009-03-01

    Ru-Se composite nanoparticles are promising catalysts for the oxygen reduction reaction (ORR) in fuel cells. Though the role of Se in enhancing the chemical stability of Ru nanoparticles is well established, the microscopic nature of Ru-Se interaction was not clearly understood. We carried out a combined investigation of ^77Se NMR and XPS on Ru-Se nanoparticles and our results indicate that Se, a semiconductor in elemental form, becomes metallic when interacting with Ru. ^77Se spin-lattice relaxation rates are found to be proportional to T, the well-known Korringa behavior characteristic of metals. The NMR results are supported by the XPS binding energy shifts which suggest that a possible Ru->Se charge transfer could be responsible for the semiconductor->metal transition of Se which also makes Ru less susceptible to oxidation during ORR.

  4. Polybutylcyanoacrylate nanoparticles for the delivery of [75Se]norcholestenol

    International Nuclear Information System (INIS)

    Kreuter, J.; Wilson, C.G.

    1983-01-01

    Polybutylcyanoacrylate nanoparticles have been used for the intravenous and intramuscular administration of a steroidal material ([ 75 Se]norcholestenol) to the rabbit. Whole body profiles of 75 Se, obtained using a gamma camera over a period of 30 days, show that the [ 75 Se]norcholestenol is retained for a longer period of time with the nanoparticle system than for the control system where the drug was dissolved in a micellar system. In vitro dialysis experiments indicate that the thermodynamic activity of the drug can be increased by its incorporation within nanoparticles. This increased activity may affect the distribution of the drug into body tissues. (Auth.)

  5. Optical nonlinear absorption characteristics of Sb2Se3 nanoparticles

    Science.gov (United States)

    Muralikrishna, Molli; Kiran, Aditha Sai; Ravikanth, B.; Sowmendran, P.; Muthukumar, V. Sai; Venkataramaniah, Kamisetti

    2014-04-01

    In this work, we report for the first time, the nonlinear optical absorption properties of antimony selenide (Sb2Se3) nanoparticles synthesized through solvothermal route. X-ray diffraction results revealed the crystalline nature of the nanoparticles. Electron microscopy studies revealed that the nanoparticles are in the range of 10 - 40 nm. Elemental analysis was performed using EDAX. By employing open aperture z-scan technique, we have evaluated the effective two-photon absorption coefficient of Sb2Se3 nanoparticles to be 5e-10 m/W at 532 nm. These nanoparticles exhibit strong intensity dependent nonlinear optical absorption and hence could be considered to have optical power limiting applications in the visible range.

  6. Preparation of PbSe nanoparticles by electron beam irradiation

    Indian Academy of Sciences (India)

    A novel method has been developed by electron beam irradiation to prepare PbSe nanoparticles. 2 MeV 10mA GJ-2-II electronic accelerator was used as radiation source. Nanocrystalline PbSe was prepared rapidly at room temperature under atmospheric pressure without any kind of toxic reagents. The structure and ...

  7. Ag nanoparticle effects on the thermoluminescent properties of monoclinic ZrO2 exposed to ultraviolet and gamma radiation

    International Nuclear Information System (INIS)

    Villa-Sanchez, G; Mendoza-Anaya, D; Gutierrez-Wing, C; Perez-Hernandez, R; Gonzalez-MartInez, P R; Angeles-Chavez, C

    2007-01-01

    The goal of this work was to analyse ZrO 2 in the pure state and when doped with Ag nanoparticles, by electron microscopy, x-ray diffraction and thermoluminescence methods. According to the results obtained, Ag nanoparticles did not modify the morphology or the crystalline structure of the ZrO 2 . The thermoluminescent (TL) response of pure ZrO 2 showed two peaks, one at 334 K and the other at 417 K, when it was exposed to ultraviolet (UV) radiation, and at 342 and 397 K when gamma radiation was used. For ZrO 2 impregnated with Ag nanoparticles a diminished TL intensity due to nanoparticle shielding was observed, but the glow curve shape was similar. However, when Ag nanoparticles were added during the ZrO 2 synthesis, a shift of the TL peaks towards higher temperature values with reference to pure ZrO 2 was observed. A linear dependence of the integrated TL signal as a function of the irradiation dose was observed in all analysed samples. It was possible to determine some kinetic parameters, such as activation energy, kinetic order and frequency factor, using the sequential quadratic programming glow curve deconvolution; it was found that these values are highly dependent on the type of radiation used. Ag nanoparticles present in ZrO 2 also modified the kinetic parameters, mainly when they were added during the synthesis of ZrO 2 . Our results reinforce the possibilities of using pure and doped ZrO 2 as an appropriate dosimetric material in radiation physics

  8. One-pot synthesis of hollow NiSe-CoSe nanoparticles with improved performance for hybrid supercapacitors

    Science.gov (United States)

    Chen, Haichao; Fan, Meiqiang; Li, Chao; Tian, Guanglei; Lv, Chunju; Chen, Da; Shu, Kangying; Jiang, Jianjun

    2016-10-01

    Hollow NiSe-CoSe samples have been synthesized for the first time via a one-pot solvothermal approach. The strategy is robust enough to synthesize NiSe-CoSe nanoparticles with different NiSe to CoSe ratios but with a similar hollow structure. Co ions in the NiSe-CoSe nanoparticles play decisive role for formation of the hollow structure; otherwise, the nanoparticles become solid for the NiSe sample. When used as the positive electroactive materials for energy storage, the NiSe-CoSe samples show excellent electrochemical activity in alkaline electrolyte. Using the synergistic effect between NiSe and CoSe, the electrochemical performance of NiSe-CoSe can be tuned by varying the NiSe to CoSe ratios. The NiSe-CoSe sample with a NiSe to CoSe ratio of 4:2 shows the best electrochemical performance in terms of superior specific capacity, improved rate capability and excellent cycling stability. In addition, the electrochemical performance of NiSe-CoSe sample with a NiSe to CoSe ratio of 4:2 is also evaluated via assembling hybrid supercapacitors with RGO, and the hybrid supercapacitor delivers both high power and energy densities (41.8 Wh kg-1 at 750 W kg-1 and 20.3 Wh kg-1 at 30 kW kg-1).

  9. Preparation of EuSe nanoparticles from Eu(III) complex containing selenides

    International Nuclear Information System (INIS)

    Adachi, Taka-aki; Tanaka, Atsushi; Hasegawa, Yasuchika; Kawai, Tsuyoshi

    2008-01-01

    The EuSe nanoparticles were prepared by the thermal reduction of Europium nitrate with new organic selenium compound, tetraphenylphosphonium diphenylphosphinediselenide (PPh 4 )(Se 2 P(C 6 H 5 ) 2 ), for the first time. EuSe nanoparticles were identified by the X-ray diffraction (XRD), the transmission electron microscope (TEM) and the energy dispersive X-ray spectroscopy (EDX) measurements. The average size of the EuSe nanoparticles was found to be 19 nm. The energy gap in EuSe nanoparticles of 19 nm was estimated by edge of absorption band, giving the energy gap of 1.86 eV

  10. Timely resolved measurements on CdSe nanoparticles

    International Nuclear Information System (INIS)

    Holt, B.E. von

    2006-01-01

    By means of infrared spectroscopy the influence of the organic cover on structure and dynamics of CdSe nanoparticles was studied. First a procedure was developed, which allows to get from the static infrared spectrum informations on the quality of the organic cover and the binding behaviour of the ligands. On qualitatively high-grade and well characterized samples thereafter the dynamics of the lowest-energy electron level 1S e was time-resolvedly meausred in thew visible range. As reference served CdSe TOPO, which was supplemented by samples with the ligands octanthiole, octanic acid, octylamine, naphthoquinone, benzoquinone, and pyridine. The studied nanoparticles had a diameter of 4.86 nm. By means of the excitation-scanning or pump=probe procedure first measurements in the picosecond range were performed. The excitation wavelengths were thereby spectrally confined and so chosen that selectively the transitions 1S 3/2 -1S-e and 1P 3/2 -1P e but not the intermediately lyingt transition 2S 3/2 -1S e were excited. The excitation energies were kept so low that the excitation of several excitons in one crystal could be avoided. The scanning wavelength in the infrared corresponded to the energy difference between the electron levels 1S e and 1P e . The transients in the picosecond range are marked by a steep increasement of the signal, on which a multi-exponential decay follows. The increasement, which reproduces the popiulation of the excited state, isa inependent on the choice of the ligands. The influence of the organic cover is first visible in the different decay times of the excited electron levels. the decay of the measurement signal of CdSe TOPO can be approximatively described by three time constants: a decay constant in the early picosecond region, a time constant around hundert picoseconds, and a time constant of some nanoseconds. At increasing scanning wavelength the decay constants become longer. By directed excitation of the 1S 3/2 -1S e and the 1P 3

  11. Ordered CdSe nanoparticles within self-assembled block copolymer domains on surfaces.

    Science.gov (United States)

    Zou, Shan; Hong, Rui; Emrick, Todd; Walker, Gilbert C

    2007-02-13

    Hierarchical, high-density, ordered patterns were fabricated on Si substrates by self-assembly of CdSe nanoparticles within approximately 20-nm-thick diblock copolymer films in a controlled manner. Surface-modified CdSe nanoparticles formed well-defined structures within microphase-separated polystyrene-b-poly(2-vinylpyridine) (PS-b-P2VP) domains. Trioctylphosphine oxide (TOPO)-coated CdSe nanoparticles were incorporated into PS domains and polyethylene glycol-coated CdSe nanoparticles were located primarily in the P2VP domains. Nearly close-packed CdSe nanoparticles were clearly identified within the highly ordered patterns on Si substrates by scanning electron microscopy (SEM). Contact angle measurements together with SEM results indicate that TOPO-CdSe nanoparticles were partially placed at the air/copolymer interface.

  12. Timely resolved measurements on CdSe nanoparticles; Zeitaufgeloeste Messungen an CdSe Nanopartikeln

    Energy Technology Data Exchange (ETDEWEB)

    Holt, B.E. von

    2006-06-06

    By means of infrared spectroscopy the influence of the organic cover on structure and dynamics of CdSe nanoparticles was studied. First a procedure was developed, which allows to get from the static infrared spectrum informations on the quality of the organic cover and the binding behaviour of the ligands. On qualitatively high-grade and well characterized samples thereafter the dynamics of the lowest-energy electron level 1S{sub e} was time-resolvedly meausred in thew visible range. As reference served CdSe TOPO, which was supplemented by samples with the ligands octanthiole, octanic acid, octylamine, naphthoquinone, benzoquinone, and pyridine. The studied nanoparticles had a diameter of 4.86 nm. By means of the excitation-scanning or pump=probe procedure first measurements in the picosecond range were performed. The excitation wavelengths were thereby spectrally confined and so chosen that selectively the transitions 1S{sub 3/2}-1S-e and 1P{sub 3/2}-1P{sub e} but not the intermediately lyingt transition 2S{sub 3/2}-1S{sub e} were excited. The excitation energies were kept so low that the excitation of several excitons in one crystal could be avoided. The scanning wavelength in the infrared corresponded to the energy difference between the electron levels 1S{sub e} and 1P{sub e}. The transients in the picosecond range are marked by a steep increasement of the signal, on which a multi-exponential decay follows. The increasement, which reproduces the popiulation of the excited state, isa inependent on the choice of the ligands. The influence of the organic cover is first visible in the different decay times of the excited electron levels. the decay of the measurement signal of CdSe TOPO can be approximatively described by three time constants: a decay constant in the early picosecond region, a time constant around hundert picoseconds, and a time constant of some nanoseconds. At increasing scanning wavelength the decay constants become longer. By directed excitation

  13. Synthesis, structural, optical and Raman studies of pure and lanthanum doped ZnSe nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, Pushpendra, E-mail: push.nac@gmail.com [Department of Physics, Faculty of Science, Banaras Hindu University, Varanasi 221005 (India); Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei 11529, Taiwan (China); Singh, Jai [Department of Physics, Faculty of Science, Banaras Hindu University, Varanasi 221005 (India); Department of Materials Science and Engineering, Pusan National University, 30 Jangjeon-dong, Geumjeong-gu, Busan 609-735 (Korea, Republic of); Pandey, Mukesh Kumar [Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei 11529, Taiwan (China); Jeyanthi, C.E. [Research and Development Centre, Bharathiar University, Coimbatore 641 046 (India); Siddheswaran, R. [Department of Materials Science and Engineering, University of Concepcion, Concepcion (Chile); Paulraj, M. [Department of Physics, Faculty of Physical sciences and Mathematics, University of Concepcion, Casilla 160, Concepcion (Chile); Hui, K.N. [Department of Materials Science and Engineering, Pusan National University, 30 Jangjeon-dong, Geumjeong-gu, Busan 609-735 (Korea, Republic of); Hui, K.S., E-mail: kshui@hanyang.ac.kr [Department of Mechanical Engineering, Hanyang University, 17 Haengdang-dong, Seongdong-gu, Seoul 133-791 (Korea, Republic of)

    2014-01-01

    Graphical abstract: - Highlights: • Template-free synthesis of ZnSe and ZnSe:La nanoparticles was developed at low temperature 100 °C. • Cubic ZnSe and ZnSe:La nanoparticles were obtained by chemical route. • As-synthesized ZnSe:La nanoparticles showed higher emission intensity than ZnSe nanoparticles. • Band gap (E{sub g}) of ZnSe nanoparticles was bigger than ZnSe nanoparticles due to nanosized effect. - Abstract: In this work, a simple, effective and reproducible chemical synthetic route for the production of high-quality, pure ZnSe nanoparticles (NPs), and lanthanum-doped ZnSe (ZnSe:La) NPs is presented. The wide bandgap, luminescent pure ZnSe and ZnSe:La NPs has been synthesized at a low temperature (100 °C) in a single template-free step. The size and optical bandgap of the NPs was analyzed from powder X-ray diffraction (XRD), UV–visible (UV–vis) spectroscopy, transmission electron microscopy (TEM), and high resolution transmission electron microscopy (HRTEM). A broad photoluminescence (PL) emission across the visible spectrum has been demonstrated by a systematic blue-shift in emission due to the formation of small nanoparticles. Here, contribution to emission intensity from surface states of NPs increases with La doping. TEM data revealed that the average size of ZnSe and ZnSe:La NPs is 14 and 8 nm, respectively. On the other hand, band gap energy E{sub g} of ZnSe and ZnSe:La NPs were found to be 3.59 eV and 3.65 eV, respectively. Results showed that hydrazine hydrate played multiple roles in the formation of ZnSe and ZnSe:La NPs. A possible reaction mechanism for the growth of NPs is also discussed.

  14. CdSe nanoparticles grown via radiolytic methods in aqueous solutions

    Energy Technology Data Exchange (ETDEWEB)

    Singh, Shalini [Radiation and Photochemistry Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India); Rath, M.C., E-mail: madhab@barc.gov.i [Radiation and Photochemistry Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India); Singh, A.K. [Radiation and Photochemistry Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India); Mukherjee, T. [Chemistry Group, Bhabha Atomic Research Centre, Mumbai 400 085 (India); Jayakumar, O.D.; Tyagi, A.K. [Chemistry Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India); Sarkar, S.K. [Radiation and Photochemistry Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India)

    2011-06-15

    Cadmium selenide, CdSe, nanoparticles have been synthesized in aqueous solution containing equimolar ammoniated CdSO{sub 4} and Na{sub 2}SeSO{sub 3} as the starting materials without any capping agents, using gamma and electron beam irradiation under a reducing condition. The radiolytic processes occurring in water result in the formation of CdSe nanoparticles through the reactions mediated by hydrated electrons, e{sub aq}{sup -}. TEM measurements revealed that the CdSe nanoparticles were found to exist in agglomerates of dimension of about 100 nm, consisting of primary nanoparticles of dimensions within 5 nm. The as-grown nanoparticles were of cubic crystalline phase as supported by the XRD measurements. These bare CdSe nanoparticles exhibit room temperature ferromagnetic (RTFM) behavior. However, the RTFM behavior was found to be 30% higher in the case of CdSe nanoparticles prepared on electron beam irradiation as compared to those obtained by gamma irradiation, which was attributed to their relatively smaller size (2-3 nm) and disordered structures as compared to those obtained in the later case (3-5 nm). -- Research highlights: {yields} CdSe nanoparticles could be synthesized in aqueous solutions containing equimolar ammoniated CdSO{sub 4} and Na{sub 2}SeSO{sub 3} as the starting materials using gamma and electron beam irradiation under a reducing condition. {yields} CdSe nanoparticles were found to exist in agglomerates of dimension of about 100 nm, consisting of primary nanoparticles of dimensions within 5 nm. {yields} CdSe nanoparticles exhibit room temperature ferromagnetic (RTFM) behavior. {yields} The RTFM behavior was found to be 30% higher in the case of CdSe nanoparticles prepared on electron beam irradiation as compared to those obtained by gamma irradiation.

  15. CdSe nanoparticles grown via radiolytic methods in aqueous solutions

    International Nuclear Information System (INIS)

    Singh, Shalini; Rath, M.C.; Singh, A.K.; Mukherjee, T.; Jayakumar, O.D.; Tyagi, A.K.; Sarkar, S.K.

    2011-01-01

    Cadmium selenide, CdSe, nanoparticles have been synthesized in aqueous solution containing equimolar ammoniated CdSO 4 and Na 2 SeSO 3 as the starting materials without any capping agents, using gamma and electron beam irradiation under a reducing condition. The radiolytic processes occurring in water result in the formation of CdSe nanoparticles through the reactions mediated by hydrated electrons, e aq - . TEM measurements revealed that the CdSe nanoparticles were found to exist in agglomerates of dimension of about 100 nm, consisting of primary nanoparticles of dimensions within 5 nm. The as-grown nanoparticles were of cubic crystalline phase as supported by the XRD measurements. These bare CdSe nanoparticles exhibit room temperature ferromagnetic (RTFM) behavior. However, the RTFM behavior was found to be 30% higher in the case of CdSe nanoparticles prepared on electron beam irradiation as compared to those obtained by gamma irradiation, which was attributed to their relatively smaller size (2-3 nm) and disordered structures as compared to those obtained in the later case (3-5 nm). -- Research highlights: → CdSe nanoparticles could be synthesized in aqueous solutions containing equimolar ammoniated CdSO 4 and Na 2 SeSO 3 as the starting materials using gamma and electron beam irradiation under a reducing condition. → CdSe nanoparticles were found to exist in agglomerates of dimension of about 100 nm, consisting of primary nanoparticles of dimensions within 5 nm. → CdSe nanoparticles exhibit room temperature ferromagnetic (RTFM) behavior. → The RTFM behavior was found to be 30% higher in the case of CdSe nanoparticles prepared on electron beam irradiation as compared to those obtained by gamma irradiation.

  16. A study of the conjugation of CdSe nanoparticles with functional polyoxometalates involving aminoacids

    International Nuclear Information System (INIS)

    Gutul, T.

    2013-01-01

    CdSe nanoparticles (CdSe NPs) are regarded as nano markers and an important component for biomedical applications. In this study, CdSe NPs and polyoxometalates were synthesized; surface modification with 1-thioglycerol and (β-Ala) was carried out. Polyoxometalates, which cause an inhibitory effect on cancer cells, were conjugated to the nanoparticles. UV- VIS, IR, XRD, and TEM studies were performed to characterize the resulting CdSe NPs, polyoxometalates, and conjugates. (author)

  17. 'Green' synthesis of starch capped CdSe nanoparticles at room temperature

    International Nuclear Information System (INIS)

    Li Jinhua; Ren Cuiling; Liu Xiaoyan; Hu Zhide; Xue Desheng

    2007-01-01

    The nearly monodisperse starch capped CdSe nanoparticles were successfully synthesized by a simple and 'green' route at room temperature. The as-prepared nanoparticles were characterized by X-ray diffraction (XRD), transmission electron microscope (TEM), UV-vis absorption and photoluminescence (PL) spectra. The XRD analysis showed that the starch capped CdSe nanoparticles were of the cubic structure, the average particle size was calculated to be about 3 nm according to the Debye-Scherrer equation. TEM micrographs exhibited that the starch capped CdSe nanoparticles were well dispersed than the uncapped CdSe nanoparticles, the mean particles size of the capped CdSe was about 3 nm in the TEM image, which was in good agreement with the XRD

  18. Femtosecond Laser-Induced Formation of Wurtzite Phase ZnSe Nanoparticles in Air

    Directory of Open Access Journals (Sweden)

    Hsuan I Wang

    2012-01-01

    Full Text Available We demonstrate an effective method to prepare wurtzite phase ZnSe nanoparticles from zincblende ZnSe single crystal using femtosecond pulse laser ablation. The fabricated ZnSe nanoparticles are in spherical shape and uncontaminated while synthesized under ambient environment. By controlling the laser fluences, the average size of ZnSe nanoparticles can be varied from ~16 nm to ~22 nm in diameter. In Raman spectra, the surface phonon mode becomes dominant in the smaller average particle size with uniform size distribution. The interesting phase transition from the zinc blende structure of ZnSe single crystal to wurtzite structure of ZnSe nanoparticles may have been induced by the ultrahigh ablation pressure at the local area due to the sudden injection of high energy leading to solid-solid transition.

  19. Enhancing Photocatalytic Degradation of Methyl Blue Using PVP-Capped and Uncapped CdSe Nanoparticles

    Directory of Open Access Journals (Sweden)

    Kgobudi Frans Chepape

    2017-01-01

    Full Text Available Quantum confinement of semiconductor nanoparticles is a potential feature which can be interesting for photocatalysis, and cadmium selenide is one simple type of quantum dot to use in the following photocatalytic degradation of organic dyes. CdSe nanoparticles capped with polyvinylpyrrolidone (PVP in various concentration ratios were synthesized by the chemical reduction method and characterized. The transmission electron microscopy (TEM analysis of the samples showed that 50% PVP-capped CdSe nanoparticles were uniformly distributed in size with an average of 2.7 nm and shape which was spherical-like. The photocatalytic degradation of methyl blue (MB in water showed efficiencies of 31% and 48% when using uncapped and 50% PVP-capped CdSe nanoparticles as photocatalysts, respectively. The efficiency of PVP-capped CdSe nanoparticles indicated that a complete green process can be utilized for photocatalytic treatment of water and waste water.

  20. Polybutylcyanoacrylate nanoparticles for the delivery of (/sup 75/Se)norcholesterol

    Energy Technology Data Exchange (ETDEWEB)

    Kreuter, J. (Eidgenoessiches Technische Hochschule, Zurich (Switzerland). Inst. fuer Pharmacie); Mills, S.N.; Davis, S.S. (Nottingham Univ. (UK)); Wilson, C.G. (Nottingham Univ. (UK). Medical School)

    1983-08-01

    Polybutylcyanoacrylate nanoparticles have been used for the intravenous and intramuscular administration of a steroidal material ((/sup 75/Se)norcholesterol) to the rabbit. Whole body profiles of /sup 75/Se, obtained using a gamma camera over a period of 30 days, show that the (/sup 75/Se)norcholesterol is retained for a longer period of time with the nanoparticle system than for the control system where the drug was dissolved in a micellar system. In vitro dialysis experiments indicate that the thermodynamic activity of the drug can be increased by its incorporation within nanoparticles. This increased activity may affect the distribution of the drug into body tissues.

  1. Sintering effect on the optoelectronic characteristics of HgSe nanoparticle films on plastic substrates

    International Nuclear Information System (INIS)

    Byun, Kwangsub; Cho, Kyoungah; Kim, Sangsig

    2010-01-01

    The optoelectronic characteristics of HgSe nanoparticle films spin-coated on flexible plastic substrates are investigated under the illumination of 1.3 μm wavelength light. The sintering process improves the optoelectronic characteristics of the HgSe nanoparticle films. The photocurrent of the sintered HgSe nanoparticle films under the illumination of 1.3 μm wavelength light is approximately 20 times larger in magnitude than that of the non-sintered films in air at room temperature. Moreover, the endurance of the flexible optoelectronic device investigated by the continuous substrate bending test reveals that the photocurrent efficiency changes negligibly up to 250 cycles.

  2. Size and morphology controlled NiSe nanoparticles as efficient catalyst for the reduction reactions

    Energy Technology Data Exchange (ETDEWEB)

    Subbarao, Udumula; Marakatti, Vijaykumar S. [New Chemistry Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur P.O., Bangalore 560064 (India); Amshumali, Mungalimane K. [New Chemistry Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur P.O., Bangalore 560064 (India); Department of Chemistry and Industrial Chemistry, Vijayanagara Sri Krishnadevaraya University, Jnanasagara Campus, Cantonment, Bellary 583105 (India); Loukya, B. [International Center for Materials Science, Jakkur P.O., Bangalore 560064 (India); Singh, Dheeraj Kumar [Chemistry & Physics of Materials Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur P.O., Bangalore 560064 (India); Datta, Ranjan [International Center for Materials Science, Jakkur P.O., Bangalore 560064 (India); Peter, Sebastian C., E-mail: sebastiancp@jncasr.ac.in [New Chemistry Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur P.O., Bangalore 560064 (India)

    2016-12-15

    Facile and efficient ball milling and polyol methods were employed for the synthesis of nickel selenide (NiSe) nanoparticle. The particle size of the NiSe nanoparticle has been controlled mechanically by varying the ball size in the milling process. The role of the surfactants in the formation of various morphologies was studied. The compounds were characterized by powder X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and X-ray energy dispersive spectroscopy (EDS). The efficiency of the NiSe nanoparticle as a catalyst was tested for the reduction of para-nitroaniline (PNA) to para-phenyldiamine (PPD) and para-nitrophenol (PNP) to para-aminophenol (PAP) using NaBH{sub 4} as the reducing agent. Particle size, morphology and the presence of surfactant played a crucial role in the reduction process. - Graphical abstract: NiSe nanoparticles in different size and morphology were synthesized using facile ball milling and polyol methods. Particle size, morphology and the presence of surfactant in these materials played a crucial role in the hydrogenation of PNA and PNP. - Highlights: • NiSe nanoparticles synthesized using ball milling and solution phase methods. • NiSe nanoparticle is an efficient catalyst for the reduction of PNA and PNP. • NiSe is found to be better than the best reported noble metal catalysts.

  3. Size and morphology controlled NiSe nanoparticles as efficient catalyst for the reduction reactions

    International Nuclear Information System (INIS)

    Subbarao, Udumula; Marakatti, Vijaykumar S.; Amshumali, Mungalimane K.; Loukya, B.; Singh, Dheeraj Kumar; Datta, Ranjan; Peter, Sebastian C.

    2016-01-01

    Facile and efficient ball milling and polyol methods were employed for the synthesis of nickel selenide (NiSe) nanoparticle. The particle size of the NiSe nanoparticle has been controlled mechanically by varying the ball size in the milling process. The role of the surfactants in the formation of various morphologies was studied. The compounds were characterized by powder X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and X-ray energy dispersive spectroscopy (EDS). The efficiency of the NiSe nanoparticle as a catalyst was tested for the reduction of para-nitroaniline (PNA) to para-phenyldiamine (PPD) and para-nitrophenol (PNP) to para-aminophenol (PAP) using NaBH 4 as the reducing agent. Particle size, morphology and the presence of surfactant played a crucial role in the reduction process. - Graphical abstract: NiSe nanoparticles in different size and morphology were synthesized using facile ball milling and polyol methods. Particle size, morphology and the presence of surfactant in these materials played a crucial role in the hydrogenation of PNA and PNP. - Highlights: • NiSe nanoparticles synthesized using ball milling and solution phase methods. • NiSe nanoparticle is an efficient catalyst for the reduction of PNA and PNP. • NiSe is found to be better than the best reported noble metal catalysts.

  4. Structural, magnetic, and electronic properties of iron selenide Fe{sub 6-7}Se{sub 8} nanoparticles obtained by thermal decomposition in high-temperature organic solvents

    Energy Technology Data Exchange (ETDEWEB)

    Lyubutin, I. S., E-mail: lyubutinig@mail.ru, E-mail: crlin@mail.npue.edu.tw; Funtov, K. O.; Dmitrieva, T. V.; Starchikov, S. S. [Shubnikov Institute of Crystallography, Russian Academy of Sciences, Moscow 119333 (Russian Federation); Lin, Chun-Rong, E-mail: lyubutinig@mail.ru, E-mail: crlin@mail.npue.edu.tw [Department of Applied Physics, National Pingtung University of Education, Pingtung 90003, Taiwan (China); Siao, Yu-Jhan [Department of Mechanical Engineering, Southern Taiwan University of Science and Technology, Tainan 71005, Taiwan (China); Chen, Mei-Li [Department of Electro-optical Engineering, Southern Taiwan University of Science and Technology, Tainan 71005, Taiwan (China)

    2014-07-28

    Iron selenide nanoparticles with the NiAs-like crystal structure were synthesized by thermal decomposition of iron chloride and selenium powder in a high-temperature organic solvent. Depending on the time of the compound processing at 340 °C, the nanocrystals with monoclinic (M)-Fe{sub 3}Se{sub 4} or hexagonal (H)-Fe{sub 7}Se{sub 8} structures as well as a mixture of these two phases can be obtained. The magnetic behavior of the monoclinic and hexagonal phases is very different. The applied-field and temperature dependences of magnetization reveal a complicated transformation between ferrimagnetic (FRM) and antiferromagnetic (AFM) structures, which can be related to the spin rotation process connected with the redistribution of cation vacancies. From XRD and Mössbauer data, the 3c type superstructure of vacancy ordering was found in the hexagonal Fe{sub 7}Se{sub 8}. Redistribution of vacancies in Fe{sub 7}Se{sub 8} from random to ordered leads to the transformation of the magnetic structure from FRM to AFM. The Mössbauer data indicate that vacancies in the monoclinic Fe{sub 3}Se{sub 4} prefer to appear near the Fe{sup 3+} ions and stimulate the magnetic transition with the rotation of the Fe{sup 3+} magnetic moments. Unusually high coercive force H{sub c} was found in both (H) and (M) nanocrystals with the highest (“giant”) value of about 25 kOe in monoclinic Fe{sub 3}Se{sub 4}. This is explained by the strong surface magnetic anisotropy which is essentially larger than the core anisotropy. Such a large coercivity is rare for materials without rare earth or noble metal elements, and the Fe{sub 3}Se{sub 4}-based compounds can be the low-cost, nontoxic alternative materials for advanced magnets. In addition, an unusual effect of “switching” of magnetization in a field of 10 kOe was found in the Fe{sub 3}Se{sub 4} nanoparticles below 280 K, which can be important for applications.

  5. Preparation of PbSe nanoparticles by electron beam irradiation ...

    Indian Academy of Sciences (India)

    Wintec

    Recently, the synthesis of binary metal selenides of group. IV has been investigated ... Pb(Ac)2 and Se powder reacted ... hol (PVA), potassium hydroxide (KOH), and isopropyl. *Author for ... 40 ml distilled water and reacted adequately. Subse-.

  6. Toxicological implications of selenium nanoparticles with different coatings along with Se4+ on Lemna minor.

    Science.gov (United States)

    Tarrahi, Roshanak; Khataee, Alireza; Movafeghi, Ali; Rezanejad, Farkhondeh; Gohari, Gholamreza

    2017-08-01

    Nanoparticles have potential high risks for living organisms in the environment due to their specific qualities and their easy access. In the present study, selenium nanoparticles (Se NPs) with two different coatings (l-cysteine and tannic acid) were synthesized. The characteristics of particles were analyzed using XRD, FT-IR and SEM. The impact of the nanoparticles besides Se 4+ , on the aquatic higher plant Lemna minor was evaluated and compared. Entrance of l-cysteine and tannic acid capped Se NPs in the roots of Lemna minor was proved by TEM and fluorescence microscopy. Adverse effects of mentioned NPs and differences of these effects from those by sodium selenite as the ionic form were assessed by a range of biophysicochemical tests. Altogether, the results asserted that Lemna minor was notably poisoned by both capped Se NPs and Se 4+ . Thus, growth and photosynthetic pigments were decreased while lipid peroxidation along with total phenol and flavonoid contents were raised. Eventually some changes in enzymatic activities were presented. To sum up the consequences, it can be concluded that all changes occurred due to the plant defense system especially in order to remove reactive oxygen species (ROS) and possible phytotoxicity originated by l- cysteine and tannic acid capped Se NPs in addition to Se 4+ . The influence of tannic acid capped Se NPs after sodium selenite is stronger by the means of antioxidant enzymes activity in comparison with l-cysteine capped Se NPs. Copyright © 2017 Elsevier Ltd. All rights reserved.

  7. Hydrothermal assisted growth of CdSe nanoparticles and study on its dielectric properties

    Science.gov (United States)

    Jamble, Shweta N.; Ghoderao, Karuna P.; Kale, Rohidas B.

    2017-11-01

    In this work, we have synthesized cadmium selenide (CdSe) nanoparticles by using cadmium chloride (CdCl2) as cadmium ion and sodium selenosulfate (Na2SeSO3) as selenium ion sources through a simple, convenient and cost-effective hydrothermal route at 180 °C temperature for 24 h. Aqueous ammonia was employed as a complex reagent to adjust the pH of the solution. Structural analysis of the obtained product was carried out by using x-ray diffractometer, which revealed that the final product has a cubic structure of CdSe with average crystallite size 13.15 nm. The cauliflower-like CdSe nanostructures were confirmed from the scanning electron microscopy and high-resolution transmission electron microscopy. EDS analysis indicates that the obtained product has a good elemental stoichiometric ratio. The electron diffraction pattern reveals the polycrystalline nature of CdSe. From UV-visible absorption spectral analysis, the optical energy bandgap of CdSe nanoparticles was found to be 1.90 eV. XPS spectra presented Cd 3d3/2, Cd 3d5/2 and Se 3d3/2 peaks at 411.04, 404.29 and 53.52 eV respectively. The CdSe nanoparticles exhibit photoluminescence with two distinct emission bands at 632 nm and 720 nm. FTIR study was used towards the understanding of the formation mechanism and bonding on the surface of the resulting nanoparticles. The dielectric properties of a pelletized sample of CdSe nanoparticles were carried out at room temperature.

  8. Enhancing Photocatalytic Degradation of Methyl Blue Using PVP-Capped and Uncapped CdSe Nanoparticles

    OpenAIRE

    Chepape, Kgobudi Frans; Mofokeng, Thapelo Prince; Nyamukamba, Pardon; Mubiayi, Kalenga Pierre; Moloto, Makwena Justice

    2017-01-01

    Quantum confinement of semiconductor nanoparticles is a potential feature which can be interesting for photocatalysis, and cadmium selenide is one simple type of quantum dot to use in the following photocatalytic degradation of organic dyes. CdSe nanoparticles capped with polyvinylpyrrolidone (PVP) in various concentration ratios were synthesized by the chemical reduction method and characterized. The transmission electron microscopy (TEM) analysis of the samples showed that 50% PVP-capped Cd...

  9. Vapor-phase synthesis and characterization of ZnSe nanoparticles

    Science.gov (United States)

    Sarigiannis, D.; Pawlowski, R. P.; Peck, J. D.; Mountziaris, T. J.; Kioseoglou, G.; Petrou, A.

    2002-06-01

    Compound semiconductor nanoparticles are an exciting class of materials whose unique optical and electronic properties can be exploited in a variety of applications, including optoelectronics, photovoltaics, and biophotonics. The most common route for synthesizing such nanoparticles has been via liquid-phase chemistry in reverse micelles. This paper discusses a flexible vapor-phase technique for synthesis of crystalline compound semiconductor nanoparticles using gas-phase condensation reactions near the stagnation point of a counterflow jet reactor. ZnSe nanoparticles were formed by reacting vapors of dimethylzinc: triethylamine adduct and hydrogen selenide at 120Torr and room temperature (28°C). No attempt was made to passivate the surface of the particles, which were collected as random aggregates on silicon wafers or TEM grids placed downstream of the reaction zone. Particle characterization using TEM, electron diffraction, Raman and EDAX revealed that the aggregates consisted of polycrystalline ZnSe nanoparticles, almost monodisperse in size (with diameters of ~40nm). The polycrystalline nanoparticles appear to have been formed by coagulation of smaller single-crystalline nanoparticles with characteristic size of 3-5 run.

  10. Simple synthesis of ZnSe nanoparticles by thermal treatment and their characterization

    Directory of Open Access Journals (Sweden)

    Aeshah Salem

    Full Text Available A simple thermal treatment was used to synthesize ZnSe nanoparticles at different calcination temperatures in a nitrogen flowing. The samples of ZnSe nanoparticles were prepared by reacting zinc nitrate (source of zinc and selenium powder with Polyvinylpyrrolidone (capping agent. Analysis of their X-ray diffraction patterns suggested the formation of an amorphous phase of the unheated material before calcination, which then transformed into a cubic crystalline structure of ZnSe nanoparticles after calcination. The phase analyses using energy-dispersive X-ray spectroscopy and Fourier-transform infrared spectroscopy confirmed the presence of Zn and Se as the original compounds of prepared ZnSe nanoparticle samples. The average particle size of the samples increased from 7 ± 5 to 18 ± 3 nm as the calcination temperature was increased from 450 to 700 °C, which is also supported by the transmission electron microscopy results. Diffuse UV–visible reflectance spectra were used to determine the optical band gap through the Kubelka–Munk equation; the energy band gap was found to decrease from 4.24 to 3.95 eV with increasing calcination temperature. Keywords: Metals, Calcination, Differential thermal analysis (DTA, Fourier transform infrared spectroscopy (FTIR

  11. A monoclinic polymorph of theophylline

    Directory of Open Access Journals (Sweden)

    Shuo Zhang

    2011-12-01

    Full Text Available A monoclinic polymorph of theophylline, C7H8N4O2, has been obtained from a chloroform/methanol mixture by evaporation under ambient conditions. The new polymorph crystallizes with two molecules in the asymmetric unit. The structure features intermolecular N—H...O hydrogen bonds, resulting in the formation of dimers between two crystallographically different molecules; each molecule acts as both donor and acceptor.

  12. Electronic-level interactions of tungsten oxide with unsupported Se/Ru electrocatalytic nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Lewera, Adam; Miecznikowski, Krzysztof [Department of Chemistry, University of Warsaw, Pasteura 1, 02-093 Warsaw (Poland); Hunger, Ralf [Institute of Materials Science, Darmstadt University of Technology, Darmstadt (Germany); Kolary-Zurowska, Aneta [Department of Chemistry, University of Warsaw, Pasteura 1, 02-093 Warsaw (Poland); Wieckowski, Andrzej [Department of Chemistry, University of Illinois at Urbana-Champaign, Urbana, IL (United States); Kulesza, Pawel J., E-mail: pkulesza@chem.uw.edu.p [Department of Chemistry, University of Warsaw, Pasteura 1, 02-093 Warsaw (Poland)

    2010-11-01

    Se/Ru nanoparticles - a potent non-platinum catalyst towards oxygen reduction reaction - were modified by hydrated WO{sub 3} and investigated using the rotating disk/ring electrode methods and by synchrotron X-ray photoelectron spectroscopy. The modification resulted in an enhanced catalytic activity towards oxygen reduction reaction (ORR). Our data indicate that the oxygen reduction current starts ca. 70 mV more positive and formation of undesirable hydrogen peroxide has significantly decreased following the modification of Se/Ru with WO{sub 3}. X-ray photoelectron spectroscopy reveals that WO{sub 3} interacts electronically with Se/Ru as the W 4f and Se 3d line-shapes change. We therefore conclude that the electronic interactions between Se/Ru and WO{sub 3} are primarily responsible for the increase in activity and selectivity of the WO{sub 3}-modified Se/Ru towards ORR.

  13. Electronic-level interactions of tungsten oxide with unsupported Se/Ru electrocatalytic nanoparticles

    International Nuclear Information System (INIS)

    Lewera, Adam; Miecznikowski, Krzysztof; Hunger, Ralf; Kolary-Zurowska, Aneta; Wieckowski, Andrzej; Kulesza, Pawel J.

    2010-01-01

    Se/Ru nanoparticles - a potent non-platinum catalyst towards oxygen reduction reaction - were modified by hydrated WO 3 and investigated using the rotating disk/ring electrode methods and by synchrotron X-ray photoelectron spectroscopy. The modification resulted in an enhanced catalytic activity towards oxygen reduction reaction (ORR). Our data indicate that the oxygen reduction current starts ca. 70 mV more positive and formation of undesirable hydrogen peroxide has significantly decreased following the modification of Se/Ru with WO 3 . X-ray photoelectron spectroscopy reveals that WO 3 interacts electronically with Se/Ru as the W 4f and Se 3d line-shapes change. We therefore conclude that the electronic interactions between Se/Ru and WO 3 are primarily responsible for the increase in activity and selectivity of the WO 3 -modified Se/Ru towards ORR.

  14. Oxygen reduction reaction on carbon-supported CoSe2 nanoparticles in an acidic medium

    International Nuclear Information System (INIS)

    Feng Yongjun; He Ting; Alonso-Vante, Nicolas

    2009-01-01

    We investigated the effect of CoSe 2 /C nanoparticle loading rate on oxygen reduction reaction (ORR) activity and H 2 O 2 production using the rotating disk electrode and the rotating ring-disk electrode techniques. We prepared carbon-supported CoSe 2 nanoparticles with different nominal loading rates and evaluated these samples by means of powder X-ray diffraction. All the catalysts had an OCP value of 0.81 V vs. RHE. H 2 O 2 production during the ORR process decreased with an increase in catalytic layer thickness. This decrease was related to the CoSe 2 loading on the disk electrode. H 2 O 2 production also decreased with increasing catalytic site density, a phenomenon related to the CoSe 2 loading rate on the carbon substrate. The cathodic current density significantly increased with increasing catalytic layer thickness, but decreased with increasing catalytic site density. In the case of 20 wt% CoSe 2 /C nanoparticles at 22 μg cm -2 , we determined that the transfer process involves about 3.5 electrons.

  15. Spectroscopic studies on the interaction between ZnSe nanoparticles with bovine serum albumin

    International Nuclear Information System (INIS)

    Chen, Zhi; Wu, Dudu

    2012-01-01

    The interaction between ZnSe nanoparticles (NPs) and bovine serum albumin (BSA) was studied by UV–vis, fluorescence spectroscopic techniques. The results showed that the fluorescence of BSA was strongly quenched by ZnSe NPs and the quenching mechanism was discussed to be a static quenching procedure, which was proved by quenching constant (K q ). The recorded UV–vis data and the fluorescence data quenching by the ZnSe NPs showed that the interaction between them leads to the formation of ZnSe–BSA complex. Based on the synchronous fluorescence spectra, it was established that the conformational change of BSA was induced by the interaction of ZnSe with the tyrosine micro-region of the BSA molecules. Furthermore, the temperature effects on the structural and spectroscopic properties of individual ZnSe NPs and protein and their bioconjugates (ZnSe–BSA) were also researched. It was found that, compared to the monotonic decrease of the individual ZnSe NPs fluorescence intensity, the temperature dependence of the ZnSe–BSA emission had a much more complex behavior, which was highly sensitive to the conformational changes of the protein. - Highlights: ►Interaction between bovine serum albumin (BSA) and ZnSe nanoparticles was studied. ► UV–vis data and fluorescence data demonstrated the formation of ZnSe–BSA complex. ► Temperature dependence of ZnSe–BSA emission was sensitive to the conformational changes of protein.

  16. Synthesis and photoluminescence of Cr-, Ni-, Co-, and Ti-doped ZnSe nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Huy, Bui The [Anastro Laboratory, Department of Chemistry, Changwon National University, Changwon 641-773 (Korea, Republic of); Nhatrang Institute of Technology and Research Application, 2 Hungvuong, Nhatrang (Viet Nam); Seo, Min-Ho; Kumar, Avvaru Praveen [Anastro Laboratory, Department of Chemistry, Changwon National University, Changwon 641-773 (Korea, Republic of); Jeong, Hyuk [Department of Chemistry, Sookmyung Women’s University, Seoul 140-742 (Korea, Republic of); Lee, Yong-Ill, E-mail: yilee@changwon.ac.kr [Anastro Laboratory, Department of Chemistry, Changwon National University, Changwon 641-773 (Korea, Republic of)

    2014-03-05

    Highlights: • The chain length, structure of surfactants operated the size nanoparticles. • Ni{sup 2+}, Co{sup 2+}, Cr{sup 3+}, and Ti{sup 3+} did not create any new centers in the structure of ZnSe. • Doping may have influenced the nanoparticles size because of the Zn replacement. • The TM ions change in ligand field caused the influence on fluorescence intensity. -- Abstract: We developed a facile strategy to synthesize transition metal (TM; Ni, Cr, Co, and Ti)-doped ZnSe nanoparticles (NPs) in aqueous media using a chemical co-precipitation method. Co-precipitation was performed in the presence of one of four different surfactants, namely mercaptoacetic acid (MAA), 3-mercaptopropionic acid (MPA), thioglycerol (TGC), or (3-mercaptopropyl) trimethoxysilane (MPTMS). Surface morphology, chemical, and crystalline properties of the TM-doped ZnSe NPs were studied by transmission electron microscopy (TEM) and X-ray diffraction (XRD). Optical features were characterized by UV–visible and photoluminescence spectroscopies. The influence of various experimental parameters, including the amount of TM and the ratio of precursors, as well as different types of surfactants on the photoluminescence properties of TM-doped ZnSe NPs was investigated systematically. TM-doped ZnSe NPs were excited in the UV region and exhibited photoluminescence in the visible region. Intensity was affected by the concentration of the TM. The results showed that MPA had a stronger influence on photoluminescence than MAA, TGC, and MPTMS. The photoluminescence intensity of TM-doped ZnSe NPs was 30% higher than that of undoped ZnSe NPs.

  17. Structural and optical properties of Ni doped ZnSe nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Yadav, Kanta; Dwivedi, Y.; Jaggi, Neena, E-mail: neena_jaggi@rediffmail.com

    2015-02-15

    In the present work synthesis of ZnSe:Ni nanoparticles using a simple solvothermal method has been discussed. The structural characterizations of as synthesized materials were done by powder X-ray diffraction (XRD), Transmission electron microscope (TEM) and High resolution transmission microscope (HRTEM) imaging techniques, which revealed formation of core–shell nanoparticles with crystallite size 2–4 nm. The structural parameters such as lattice constants, internal strain, dislocation density etc. of ZnSe and Ni doped ZnSe nanocrystals were estimated. Nickel doping in ZnSe host is verified by the Raman spectroscopy. Optical properties were diagnosed by UV–vis absorption and photoluminescence (PL) techniques. The observed blue-shift in UV–vis absorption edge of the prepared sample of ZnSe as compared to its value for the bulk counterpart indicates formation of nanosized particles. PL spectra of Ni{sup 2+} doped samples indicate red-shift and improved emission intensity. - Highlights: • Synthesis of core shell structures of the ZnSe by simple approach. • Enhancement of the photoluminescence emission with the increase in the concentration of Ni a transition metal into the host material. • Increase in the dislocation density and strain with decrease in grain size.

  18. Ligand mediated synthesis of AgInSe2 nanoparticles with tetragonal/orthorhombic crystal phases

    International Nuclear Information System (INIS)

    Abazović, Nadica D.; Čomor, Mirjana I.; Mitrić, Miodrag N.; Piscopiello, Emanuela; Radetić, Tamara; Janković, Ivana A.; Nedeljković, Jovan M.

    2012-01-01

    Nanosized AgInSe 2 particles (d ∼ 7–25 nm) were synthesized using colloidal chemistry method at 270 °C. As solvents/surface ligands 1-octadecene, trioctylphosphine, and oleylamine were used. It was shown that choice of ligand has crucial impact not only on final crystal phase of nanoparticles, but also at mechanism of crystal growth. X-ray diffraction and TEM/HRTEM techniques were used to identify obtained crystal phases and to measure average size and shape of nanoparticles. UV/Vis data were used to estimate band-gap energies of obtained samples. It was shown that presented routes can provide synthesis of nanoparticles with desired crystal phase (tetragonal and/or orthorhombic), with band-gap energies in the range from 1.25 to 1.53 eV.

  19. Colloidal-chemistry based synthesis of quantized CuInS2/Se2 nanoparticles

    Directory of Open Access Journals (Sweden)

    Abazović Nadica D.

    2012-01-01

    Full Text Available Ternary chalcogenide nanoparticles, CuInS2 and CuInSe2, were synthesized in high- temperature boiling organic non-polar solvent. The X-ray diffraction analysis revealed that both materials have tetragonal (chalcopyrite crystal structure. Morphology of the obtained materials was revealed by using transmission electron microscopy. Agglomerated spherical CuInS2 nanoparticles with broad size distribution in the range from 2 to 20 nm were obtained. In the case of CuInSe2, isolated particles with spherical or prismatic shape in the size range from 10 to 25 nm were obtained, as well as agglomerates consisting of much smaller particles with diameter of about 2-5 nm. The particles with the smallest diameters of both materials exhibit quantum size effect.

  20. Molten-droplet synthesis of composite CdSe hollow nanoparticles

    KAUST Repository

    Gullapalli, Sravani; Grider, Jason M.; Bagaria, Hitesh G.; Lee, Kyusung; Cho, Minjung; Colvin, Vicki L.; Jabbour, Ghassan E.; Wong, Michael

    2012-01-01

    Many colloidal synthesis routes are not scalable to high production rates, especially for nanoparticles of complex shape or composition, due to precursor expense and hazards, low yields, and the large number of processing steps. The present work describes a strategy to synthesize hollow nanoparticles (HNPs) out of metal chalcogenides, based on the slow heating of a low-melting-point metal salt, an elemental chalcogen, and an alkylammonium surfactant in octadecene solvent. The synthesis and characterization of CdSe HNPs with an outer diameter of 15.6 ± 3.5 nm and a shell thickness of 5.4 ± 0.9 nm are specifically detailed here. The HNP synthesis is proposed to proceed with the formation of alkylammonium-stabilized nano-sized droplets of molten cadmium salt, which then come into contact with dissolved selenium species to form a CdSe shell at the droplet surface. In a reaction-diffusion mechanism similar to the nanoscale Kirkendall effect it is speculated that the cadmium migrates outwardly through this shell to react with more selenium, causing the CdSe shell to thicken. The proposed CdSe HNP structure comprises a polycrystalline CdSe shell coated with a thin layer of amorphous selenium. Photovoltaic device characterization indicates that HNPs have improved electron transport characteristics compared to standard CdSe quantum dots, possibly due to this selenium layer. The HNPs are colloidally stable in organic solvents even though carboxylate, phosphine, and amine ligands are absent; stability is attributed to octadecene-selenide species bound to the particle surface. This scalable synthesis method presents opportunities to generate hollow nanoparticles with increased structural and compositional variety. © 2012 IOP Publishing Ltd.

  1. Molten-droplet synthesis of composite CdSe hollow nanoparticles

    KAUST Repository

    Gullapalli, Sravani

    2012-11-16

    Many colloidal synthesis routes are not scalable to high production rates, especially for nanoparticles of complex shape or composition, due to precursor expense and hazards, low yields, and the large number of processing steps. The present work describes a strategy to synthesize hollow nanoparticles (HNPs) out of metal chalcogenides, based on the slow heating of a low-melting-point metal salt, an elemental chalcogen, and an alkylammonium surfactant in octadecene solvent. The synthesis and characterization of CdSe HNPs with an outer diameter of 15.6 ± 3.5 nm and a shell thickness of 5.4 ± 0.9 nm are specifically detailed here. The HNP synthesis is proposed to proceed with the formation of alkylammonium-stabilized nano-sized droplets of molten cadmium salt, which then come into contact with dissolved selenium species to form a CdSe shell at the droplet surface. In a reaction-diffusion mechanism similar to the nanoscale Kirkendall effect it is speculated that the cadmium migrates outwardly through this shell to react with more selenium, causing the CdSe shell to thicken. The proposed CdSe HNP structure comprises a polycrystalline CdSe shell coated with a thin layer of amorphous selenium. Photovoltaic device characterization indicates that HNPs have improved electron transport characteristics compared to standard CdSe quantum dots, possibly due to this selenium layer. The HNPs are colloidally stable in organic solvents even though carboxylate, phosphine, and amine ligands are absent; stability is attributed to octadecene-selenide species bound to the particle surface. This scalable synthesis method presents opportunities to generate hollow nanoparticles with increased structural and compositional variety. © 2012 IOP Publishing Ltd.

  2. Blinking and spectral diffusion of CdSe/ZnS nanoparticles

    Science.gov (United States)

    Lorke, Axel; Braam, Daniel; Mölleken, Andreas; Offer, Matthias; Prinz, Günther; Geller, Martin

    2012-02-01

    Even though the tunable optical properties of colloidal nanoparticles have been studied extensively, their luminescent behaviour is still not fully understood. The random emission intermittency and the power-law of on- and off-times as well as shifts in the emission wavelength still lack a comprehensive understanding [1]. We investigate the excitonic structure of CdSe/ZnS core/shell nanoparticles using a micro-photoluminescence (PL) setup with confocal as well as imaging optics. The nanoparticles are dispersed in toluene with 1% PMMA and deposited by spin-coating on different substrates (bare Si/SiO2 as well as Si/SiO2 covered with different rough metallic layers). Depending on the substrate, we observe emission intermittency or nearly blinking-free emission with spectral jumps of 25 meV in the emission energy. Both can be assigned to excitonic transitions affected by additional charge inside or outside the nanoparticle [2]. Furthermore, we observe a phonon replica of 25 meV and smaller (<10 meV) energetic shifts of the emission lines, which are likely caused random charge variations in the environment of the nanoparticle. [4pt] [1] P. Frantsuzov et al., Nature 4, 519 (2008). [0pt] [2] A. Efros, Nature Mat. 7, 612 (2008)

  3. Hole transfer from CdSe nanoparticles to TQ1 polymer in hybrid solar cell device

    Science.gov (United States)

    Sohail, Muhammad; Shah, Zawar Hussain; Saeed, Shomaila; Bibi, Nasreen; Shahbaz, Sadia; Ahmed, Safeer; Shabbir, Saima; Siddiq, Muhammad; Iqbal, Azhar

    2018-05-01

    In view of realizing the economic viability, we fabricate a solar cell device containing low band gap and easily processable polymer 5-yl-8-(thiophene-2,5-diyl)-2,3-bis(3-(octyloxy)phenyl) quinoxaline (TQ1) and CdSe nanoparticles (NPs) and investigate its charge transport properties. When the TQ1 is combined with the CdSe NPs a strong photoluminescence quenching and shortening of photoluminescence lifetime of the TQ1 is observed indicating exciton transfer from TQ1 to the CdSe NPs. The time-resolved photoluminescence further reveals that the exciton transfer from the polymer to CdSe NPs is very efficient (68%) and it occurs in solar cell as compared to polymer only device. These observations suggest the importance of other II-VI semiconductor NPs to achieve higher efficiency for photovoltaic devices containing TQ1 polymer.

  4. A simple and facile synthesis of MPA capped CdSe and CdSe/CdS core/shell nanoparticles

    Science.gov (United States)

    Sukanya, D.; Sagayaraj, P.

    2015-06-01

    II-VI semiconductor nanostructures, in particular, CdSe quantum dots have drawn a lot of attention because of their promising potential applications in biological tagging, photovoltaic, display devices etc. due to their excellent optical properties, high emission quantum yield, size dependent emission wavelength and high photostability. In this paper, we describe the synthesis and properties of mercaptopropionic acid capped CdSe and CdSe/CdS nanoparticles through a simple and efficient co-precipitation method followed by hydrothermal treatment. The growth process, characterization and the optical absorption as a function of wavelength for the synthesized MPA capped CdSe and CdSe/CdS nanoparticles have been determined using X-ray diffraction study (XRD), Ultraviolet-Visible spectroscopy (UV-Vis), Fourier transform infrared spectroscopy (FT-IR) and High Resolution Transmission Electron Microscopy (HRTEM).

  5. A simple and facile synthesis of MPA capped CdSe and CdSe/CdS core/shell nanoparticles

    International Nuclear Information System (INIS)

    Sukanya, D.; Sagayaraj, P.

    2015-01-01

    II-VI semiconductor nanostructures, in particular, CdSe quantum dots have drawn a lot of attention because of their promising potential applications in biological tagging, photovoltaic, display devices etc. due to their excellent optical properties, high emission quantum yield, size dependent emission wavelength and high photostability. In this paper, we describe the synthesis and properties of mercaptopropionic acid capped CdSe and CdSe/CdS nanoparticles through a simple and efficient co-precipitation method followed by hydrothermal treatment. The growth process, characterization and the optical absorption as a function of wavelength for the synthesized MPA capped CdSe and CdSe/CdS nanoparticles have been determined using X-ray diffraction study (XRD), Ultraviolet-Visible spectroscopy (UV-Vis), Fourier transform infrared spectroscopy (FT-IR) and High Resolution Transmission Electron Microscopy (HRTEM)

  6. In vivo formation of natural HgSe nanoparticles in the liver and brain of pilot whales

    DEFF Research Database (Denmark)

    Gajdosechova, Z.; Lawan, M. M.; Urgast, D. S.

    2016-01-01

    Se) nanoparticles in the liver and brain of long-finned pilot whales are attached to Se-rich structures and possibly act as a nucleation point for the formation of large Se-Hg clusters, which can grow with age to over 5 μm in size. The detoxification mechanism is fully developed from the early age of the animals...

  7. Study on growth kinetics of hexadecylamine capped CdSe nanoparticles using its electronic properties

    Energy Technology Data Exchange (ETDEWEB)

    Oluwafemi, S.O., E-mail: tobi_55@yahoo.co [Department of Chemistry, University of Zululand, Private Bag X1001, Kwadlangezwa 3886 (South Africa); Revaprasadu, N. [Department of Chemistry, University of Zululand, Private Bag X1001, Kwadlangezwa 3886 (South Africa)

    2009-05-01

    The growth kinetics of hexadecylamine (HDA) capped CdSe synthesised via a novel, mild, effective, and facile non-organometallic route was studied using its electronic properties. The emission and optical maxima of all the nanoparticles synthesised are blue-shifted as the reaction time increases indicating decrease in particle size. The UV spectra show distinct excitonic features which can be attributed to the first electronic transition [1S{sub 3/2}(h)-1S(e)] occurring in CdSe nanoparticles with band-edge luminescence in their emission spectra. The extinction coefficient was determined for convenient and accurate measurements of the concentration of the nanocrystals. Nucleation is very fast and well separated from particle growth under this reaction condition. Two distinguishable stages of growth were observed: an early stage 0-10 min characterised by fast growth, with narrow size distribution and the late stage characterised by slow growth with slight defocusing of size distribution and large particle sizes. The diameter of the size ranges from 2.2 to 3.0 nm. About 94% of the available monomer concentration was consumed during the growth and the solubility of 3.0 nm CdSe in hexadecylamine is measured to be 9.216x10{sup -7} M{sup 2} at 433 deg. K.

  8. Microbial Precipitation of Cr(III)-Hydroxide and Se(0) Nanoparticles During Anoxic Bioreduction of Cr(VI)- and Se(VI)-Contaminated Water.

    Science.gov (United States)

    Kim, Yumi; Oh, Jong-Min; Roh, Yul

    2017-04-01

    This study examined the microbial precipitations of Cr(III)-hydroxide and Se(0) nanoparticles during anoxic bioreductions of Cr(VI) and Se(VI) using metal-reducing bacteria enriched from groundwater. Metal-reducing bacteria enriched from groundwater at the Korea Atomic Energy Research Institute (KAERI) Underground Research Tunnel (KURT), Daejeon, S. Korea were used. Metal reduction and precipitation experiments with the metal-reducing bacteria were conducted using Cr(VI)- and Se(VI)-contaminated water and glucose as a carbon source under an anaerobic environment at room temperature. XRD, SEM-EDX, and TEM-EDX analyses were used to characterize the mineralogy, crystal structure, chemistry, shape, and size distribution of the precipitates. The metal-reducing bacteria reduced Cr(VI) of potassium chromate (K₂CrO₄) to Cr(III) of chromium hydroxide [Cr(OH)3], and Se(VI) of sodium selenate (Na₂SeO₄) to selenium Se(0), with changes of color and turbidity. XRD, SEM-EDX, and TEM-EDX analyses revealed that the chromium hydroxide [Cr(OH)₃] was formed extracellularly with nanoparticles of 20–30 nm in size, and elemental selenium Se(0) nanoparticles had a sphere shape of 50–250 nm in size. These results show that metal-reducing bacteria in groundwater can aid or accelerate precipitation of heavy metals such as Cr(VI) and Se(VI) via bioreduction processes under anoxic environments. These results may also be useful for the recovery of Cr and Se nanoparticles in natural environments.

  9. Quantitative size-dependent structure and strain determination of CdSe nanoparticles using atomic pair distribution function analysis

    Energy Technology Data Exchange (ETDEWEB)

    Masadeh, A S; Bozin, E S; Farrow, C L; Paglia, G; Juhas, P; Billinge, S J. L.; Karkamkar, A; Kanatzidis, M G [Department of Physics and Astronomy, Michigan State University, East Lansing, Michigan 48824-1116 (United States); Department of Chemistry, Michigan State University, East Lansing, Michigan 48824-1116 (United States)

    2007-09-15

    The size-dependent structure of CdSe nanoparticles, with diameters ranging from 2 to 4 nm, has been studied using the atomic pair distribution function (PDF) method. The core structure of the measured CdSe nanoparticles can be described in terms of the wurtzite atomic structure with extensive stacking faults. The density of faults in the nanoparticles is {approx}50%. The diameter of the core region was extracted directly from the PDF data and is in good agreement with the diameter obtained from standard characterization methods, suggesting that there is little surface amorphous region. A compressive strain was measured in the Cd-Se bond length that increases with decreasing particle size being 0.5% with respect to bulk CdSe for the 2 nm diameter particles. This study demonstrates the size-dependent quantitative structural information that can be obtained even from very small nanoparticles using the PDF approach.

  10. Exploring the Behavior and Metabolic Transformations of SeNPs in Exposed Lactic Acid Bacteria. Effect of Nanoparticles Coating Agent

    Directory of Open Access Journals (Sweden)

    Maria Palomo-Siguero

    2017-08-01

    Full Text Available The behavior and transformation of selenium nanoparticles (SeNPs in living systems such as microorganisms is largely unknown. To address this knowledge gap, we examined the effect of three types of SeNP suspensions toward Lactobacillus delbrueckii subsp. bulgaricus LB-12 using a variety of techniques. SeNPs were synthesized using three types of coating agents (chitosan (CS-SeNPs, hydroxyethyl cellulose (HEC-SeNPs and a non-ionic surfactant, surfynol (ethoxylated-SeNPs. Morphologies of SeNPs were all spherical. Transmission electron microscopy (TEM was used to locate SeNPs in the bacteria. High performance liquid chromatography (HPLC on line coupled to inductively coupled plasma mass spectrometry (ICP-MS was applied to evaluate SeNP transformation by bacteria. Finally, flow cytometry employing the live/dead test and optical density measurements at 600 nm (OD600 were used for evaluating the percentages of bacteria viability when supplementing with SeNPs. Negligible damage was detected by flow cytometry when bacteria were exposed to HEC-SeNPs or CS-SeNPs at a level of 10 μg Se mL−1. In contrast, ethoxylated-SeNPs were found to be the most harmful nanoparticles toward bacteria. CS-SeNPs passed through the membrane without causing damage. Once inside, SeNPs were metabolically transformed to organic selenium compounds. Results evidenced the importance of capping agents when establishing the true behavior of NPs.

  11. CdSe Nanoparticles with Clean Surfaces: Gas Phase Synthesis and Optical Properties

    Directory of Open Access Journals (Sweden)

    Zhang Hongwei

    2015-01-01

    Full Text Available CdSe nanoparticles (NPs were generated in gas phase with a magnetron plasma gas aggregation cluster beam source. Coagulation-free CdSe nanocrystals with very clean particle surface and interface, as well as a fairly uniform spatial distribution were obtained. The deposited NPs have a good dispersity with a mean diameter of about 4.8nm. A strong photoluminescence band corresponding to the near- band-edge transition of the CdSe NPs was observed. The CdSe NP films show a significant photoconductance induced by laser irradiation. With an applied bias voltage of 10V, the photo- induced current can be as high as 0.4mA under 0.01mW/mm2 405nm laser illumination. Our approach offers an alternative method for CdSe NP synthesis, which has the advantages such as high purity, good process and product control, as well as mass production, as compared to the existing methods.

  12. Controllable synthesis, growth mechanism and optical properties of the ZnSe quantum dots and nanoparticles with different crystalline phases

    Energy Technology Data Exchange (ETDEWEB)

    Feng, Bo [Key Laboratory of Excited State Physics, Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences, 3888 Eastern Nan-Hu Road, Changchun 130033 (China); Graduate School of the Chinese Academy of Sciences, Beijing 100049 (China); Institute of Condensed State Physics, Jilin Normal University, Siping 136000 (China); Yang, Jinghai, E-mail: jhyang1@jlnu.edu.cn [Institute of Condensed State Physics, Jilin Normal University, Siping 136000 (China); Cao, Jian; Yang, Lili; Gao, Ming; Wei, Maobin; Liu, Yang [Institute of Condensed State Physics, Jilin Normal University, Siping 136000 (China); Song, Hang [Key Laboratory of Excited State Physics, Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences, 3888 Eastern Nan-Hu Road, Changchun 130033 (China)

    2013-03-15

    Graphical abstract: The ZnSe quantum dots (3.5 nm) with the wurtzite structure exhibited a strong near band-edge emission (NBE) peak centered at 422 nm. The zinc blende ZnSe nanoparticles (21 nm) exhibited near-band-edge luminescence peak centered at 472 nm. Highlights: ► The results of TEM showed that the ZnSe quantum dots were about 3.5 nm. ► The ZnSe quantum dots exhibited a near band-edge emission peak centered at 422 nm. ► The ZnSe nanoparticles exhibited near-band-edge luminescence peak centered at 472 nm. - Abstract: ZnSe precursors were prepared by a solvothermal method at 180 °C without any surface-active agents. ZnSe quantum dots and nanoparticles were obtained by annealing the precursors at 300 °C for 2 h in argon atmosphere. The ZnSe quantum dots were about 3.5 nm, while the ZnSe nanoparticles were about 21 nm, as observed using TEM. The growth mechanisms for the two samples were discussed; this proved that the high coordination ability of ethylenediamine to zinc played an important role in the final phase of the products. The ZnSe quantum dots with the wurtzite structure exhibited a strong near band-edge emission (NBE) peak centered at 422 nm, which was blue-shifted in comparison to that of the bulk ZnSe, which was mainly caused by the quantum confinement effect. However, the zinc blende ZnSe nanoparticles exhibited a near-band-edge luminescence peak centered at 472 nm.

  13. CuInGaSe{sub 2} nanoparticles by pulsed laser ablation in liquid medium

    Energy Technology Data Exchange (ETDEWEB)

    Mendivil, M.I.; García, L.V. [Facultad de Ingeniería Mecánica y Eléctrica, Universidad Autónoma de Nuevo León, San Nicolás de los Garza, Nuevo León, 66455 (Mexico); Krishnan, B. [Facultad de Ingeniería Mecánica y Eléctrica, Universidad Autónoma de Nuevo León, San Nicolás de los Garza, Nuevo León, 66455 (Mexico); CIIDIT—Universidad Autónoma de Nuevo León, Apodaca, Nuevo León (Mexico); Avellaneda, D. [Facultad de Ingeniería Mecánica y Eléctrica, Universidad Autónoma de Nuevo León, San Nicolás de los Garza, Nuevo León, 66455 (Mexico); and others

    2015-12-15

    Highlights: • CIGS nanocolloids were synthesized using PLAL technique. • Characterized their morphology, structure, composition and optical properties. • Morphologies were dependent on ablation wavelength and liquid medium. • Optical absorption and bandgap of these nanocolloids were tunable. - Abstract: Pulsed laser ablation in liquid medium (PLALM) is a nanofabrication technique to produce complex nanostructures. CuInGaSe{sub 2} (CIGS) is an alloy with applications in photovoltaic industry. In this work, we studied the effects of laser ablation wavelength, energy fluence and liquid medium on the properties of the CIGS nanoparticles synthesized by PLALM. The nanoparticles obtained were analyzed by transmission electron microscopy (TEM), energy dispersive X-ray spectroscopy (EDX), selected area electron diffraction (SAED), X-ray photoelectron spectroscopy (XPS) and UV–vis absorption spectroscopy. XPS results confirmed the chemical states and composition of the ablated products. TEM analysis showed different morphologies for the nanomaterials obtained in different liquid media and ablation wavelengths. The optical properties for these CIGS nanocolloids were analyzed using UV–vis absorption spectroscopy. The results demonstrated the use of PLALM as a useful synthesis technique for nanoparticles of quaternary photovoltaic materials.

  14. Influence of temperature and precursor concentration on the synthesis of HDA-capped Ag{sub 2}Se nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Mlambo, M. [Department of Chemistry, Vaal University of Technology, Private Bag X021, Vanderbijlpark 1900 (South Africa); Molecular Science Institute, School of Chemistry, University of the Witwatersrand, Private Bag 3, Wits 2050 (South Africa); Moloto, M.J., E-mail: makwenam@vut.ac.za [Department of Chemistry, Vaal University of Technology, Private Bag X021, Vanderbijlpark 1900 (South Africa); Moloto, N. [Molecular Science Institute, School of Chemistry, University of the Witwatersrand, Private Bag 3, Wits 2050 (South Africa); Mdluli, P.S. [Nanotechnology Innovation Centre, Advanced Materials Division, Mintek, Private Bag X3015, Randburg 2125 (South Africa)

    2013-06-01

    Graphical abstract: The temperature effect on the growth and size of silver selenide nanoparticles with the size distribution and XRD patterns. Highlights: ► The HDA-capped Ag{sub 2}Se nanoparticles were synthesized via the colloidal route. ► Temperature and monomer concentration of the reaction were varied. ► The concentration as a factor influenced particles with a decrease observed as the amount of Ag{sup +} ion source is increased. ► Temperature has expected influence on the growth of particles resulting in increase as the temperature is increased. ► TEM images shows spherical particles and their orthorhombic phase from structural analysis by XRD. - Abstract: The size dependent of temperature and precursor concentration on the synthesis of hexadecylamine capped Ag{sub 2}Se nanoparticles via the colloidal route were studied using the combination of optical and structural analysis. The as-prepared Ag{sub 2}Se nanoparticles showed the quantum confinement with all the obtained absorption band edges blue-shifted from the bulk and their corresponding emission maxima displaying a red-shift from band edges characterised by UV–vis absorption and photoluminescence spectroscopy. The particle sizes were obtained from transmission electron microscopy analysis. The increase in precursor concentration resulted in a decrease in nanoparticle sizes. The increase in reaction temperature showed an increase in the nanoparticle sizes, when the critical temperature at 160 °C was reached, the nanoparticle sizes decreased.

  15. Fingerprint detection and using intercalated CdSe nanoparticles on non-porous surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Algarra, Manuel, E-mail: malgarra67@gmail.com [Centro de Geología da Universidade do Porto, Departamento de Geociências, Ambiente e Ordenamemto do Territorio do Porto, Faculdade de Ciências, Universidade do Porto, Rua do Campo Alegre 687, 4169-007 Porto (Portugal); Radotić, Ksenija; Kalauzi, Aleksandar; Mutavdžić, Dragosav; Savić, Aleksandar [Institute for Multidisciplinary Research, University of Belgrade, Kneza Višeslava 1, 11000 Beograd (Serbia); Jiménez-Jiménez, José; Rodríguez-Castellón, Enrique [Departamento de Química Inorgánica, Facultad de Ciencias, Universidad de Málaga, Campus de Teatinos s/n, 29071Málaga (Spain); Silva, Joaquim C.G. Esteves da [Centro de Investigação em Química (CIQ-UP). Faculdade de Ciências da Universidade do Porto, Rua do Campo Alegre 687, 4169-007 Porto (Portugal); Guerrero-González, Juan José [Policía Científica, Cuerpo Nacional de Policía, Málaga (Spain)

    2014-02-17

    Graphical abstract: -- Highlights: •Fluorescent nanocomposite based on the inclusion of CdSe quantum dots in porous phosphate heterostructures. •Characterized by FTIR, XRD and fluorescence spectroscopies. •Deconvolution of the emission spectra was confirmed by using multivariate curve resolution (MCR) method. •Application for fingerprint detection and analysis on different non-porous surfaces. -- Abstract: A fluorescent nanocomposite based on the inclusion of CdSe quantum dots in porous phosphate heterostructures, functionalized with amino groups (PPH-NH{sub 2}@CdSe), was synthesized, characterized and used for fingerprint detection. The main scopes of this work were first to develop a friendly chemical powder for detecting latent fingerprints, especially in non-porous surfaces; their further intercalation in PPH structure enables not to spread the fluorescent nanoparticles, for that reason very good fluorescent images can be obtained. The fingerprints, obtained on different non-porous surfaces such as iron tweezers, mobile telephone screen and magnetic band of a credit card, treated with this powder emit a pale orange luminescence under ultraviolet excitation. A further image processing consists of contrast enhancement that allows obtaining positive matches according to the information supplied from a police database, and showed to be more effective than that obtained with the non-processed images. Experimental results illustrate the effectiveness of proposed methods.

  16. Fingerprint detection and using intercalated CdSe nanoparticles on non-porous surfaces

    International Nuclear Information System (INIS)

    Algarra, Manuel; Radotić, Ksenija; Kalauzi, Aleksandar; Mutavdžić, Dragosav; Savić, Aleksandar; Jiménez-Jiménez, José; Rodríguez-Castellón, Enrique; Silva, Joaquim C.G. Esteves da; Guerrero-González, Juan José

    2014-01-01

    Graphical abstract: -- Highlights: •Fluorescent nanocomposite based on the inclusion of CdSe quantum dots in porous phosphate heterostructures. •Characterized by FTIR, XRD and fluorescence spectroscopies. •Deconvolution of the emission spectra was confirmed by using multivariate curve resolution (MCR) method. •Application for fingerprint detection and analysis on different non-porous surfaces. -- Abstract: A fluorescent nanocomposite based on the inclusion of CdSe quantum dots in porous phosphate heterostructures, functionalized with amino groups (PPH-NH 2 @CdSe), was synthesized, characterized and used for fingerprint detection. The main scopes of this work were first to develop a friendly chemical powder for detecting latent fingerprints, especially in non-porous surfaces; their further intercalation in PPH structure enables not to spread the fluorescent nanoparticles, for that reason very good fluorescent images can be obtained. The fingerprints, obtained on different non-porous surfaces such as iron tweezers, mobile telephone screen and magnetic band of a credit card, treated with this powder emit a pale orange luminescence under ultraviolet excitation. A further image processing consists of contrast enhancement that allows obtaining positive matches according to the information supplied from a police database, and showed to be more effective than that obtained with the non-processed images. Experimental results illustrate the effectiveness of proposed methods

  17. Photorefractive performance of polymer composite sensitized by CdSe nanoparticles passivated by 1-hexadecylamine

    Science.gov (United States)

    Aslam, Farzana; Binks, David J.; Rahn, Mark D.; West, David P.; O'Brien, Paul; Pickett, Nigel

    2005-07-01

    The performance of a photorefractive polymer composite sensitized by 1-hexadecylamine capped CdSe nanoparticles is reported. The polymer composite also comprises the charge transporting matrix poly(N-vinylcarbazole) and the electro-optic chromophore 1-(2-ethylhexyloxy)-2,5-dimethyl-4-(4-nitrophenylazo) benzene. At an applied field of 70?V?µ m-1 two beam coupling gain of 13.2?cm-1 was observed, confirming the photorefractive nature of the induced grating. At the same field, a holographic contrast of 9.12×10-4±6×10-6, a photorefractive sensitivity of 5.1×10-4 ±0.2×10-4?cm3?J-1 and a space-charge field rise time of 13±1?s were obtained.

  18. Influence of growth and photocatalytic properties of copper selenide (CuSe) nanoparticles using reflux condensation method

    Energy Technology Data Exchange (ETDEWEB)

    Sonia, S. [Department of Nanoscience and Technology, Bharathiar University, Coimbatore 641046 (India); Kumar, P. Suresh [Thin Film and Nanomaterials Laboratory, Department of Physics, Bharathiar University, Coimbatore 641046 (India); Mangalaraj, D., E-mail: dmraj800@yahoo.com [Department of Nanoscience and Technology, Bharathiar University, Coimbatore 641046 (India); Ponpandian, N.; Viswanathan, C. [Department of Nanoscience and Technology, Bharathiar University, Coimbatore 641046 (India)

    2013-10-15

    Influence of reaction conditions on the synthesis of copper selenide (CuSe) nanoparticles and their photo degradation activity is studied. Nearly monodispersed uniform size (23–44 nm) nanoparticles are synthesized by varying the reaction conditions using reflux condensation method. The obtained nanoparticles are characterized by X-ray diffraction, field emission scanning electron microscopy, transmission electron microscopy and UV–visible absorption spectroscopy. The X-ray diffraction analysis of the sample shows the formation of nanoparticles with hexagonal CuSe structure. The result indicates that on increasing the reaction time from 4 to 12 h, the particle size decreases from 44 to 23 nm, but an increase in the reaction temperature increases the particle size. The calculated band gap E{sub g} is ranging from 2.34 to 3.05 eV which is blue shifted from the bulk CuSe (2.2 eV). The photocatalytic degradation efficiency of the CuSe nanoparticles on two organic dyes Methylene blue (MB) and Rhodamine-B (RhB) in aqueous solution under UV region is calculated as 76 and 87% respectively.

  19. Magnetic and dielectric study of Fe-doped CdSe nanoparticles

    Science.gov (United States)

    Das, Sayantani; Banerjee, Sourish; Bandyopadhyay, Sudipta; Sinha, Tripurari Prasad

    2018-01-01

    Nanoparticles of cadmium selenide (CdSe) and Fe (5% and 10%) doped CdSe have been synthesized by soft chemical route and found to have cubic structure. The magnetic field dependent magnetization measurement of the doped samples indicates the presence of anti-ferromagnetic order. The temperature dependent magnetization (M-T) measurement under zero field cooled and field cooled conditions has also ruled out the presence of ferromagnetic component in the samples at room temperature as well as low temperature. In order to estimate the anti-ferromagnetic coupling among the doped Fe atoms, an M-T measurement at 500 Oe has been carried out, and the Curie-Weiss temperature θ of the samples has been estimated from the inverse of susceptibility versus temperature plots. The dielectric relaxation peaks are observed in the spectra of imaginary part of dielectric constant. The temperature dependent relaxation time is found to obey the Arrhenius law having activation energy 0.4 eV for Fe doped samples. The frequency dependent conductivity spectra are found to obey the power law. [Figure not available: see fulltext.

  20. CdSe nanorod/TiO2 nanoparticle heterojunctions with enhanced solar- and visible-light photocatalytic activity

    Directory of Open Access Journals (Sweden)

    Fakher Laatar

    2017-12-01

    Full Text Available CdSe nanorods (NRs with an average length of ≈120 nm were prepared by a solvothermal process and associated to TiO2 nanoparticles (Aeroxide® P25 by annealing at 300 °C for 1 h. The content of CdSe NRs in CdSe/TiO2 composites was varied from 0.5 to 5 wt %. The CdSe/TiO2 heterostructured materials were characterized by XRD, TEM, SEM, XPS, UV–visible spectroscopy and Raman spectroscopy. TEM images and XRD patterns show that CdSe NRs with wurtzite structure are associated to TiO2 particles. The UV–visible spectra demonstrate that the narrow bandgap of CdSe NRs serves to increase the photoresponse of CdSe/TiO2 composites until ≈725 nm. The CdSe (2 wt %/TiO2 composite exhibits the highest photocatalytic activity for the degradation of rhodamine B in aqueous solution under simulated sunlight or visible light irradiation. The enhancement in photocatalytic activity likely originates from CdSe sensitization of TiO2 and the heterojunction between these materials which facilitates electron transfer from CdSe to TiO2. Due to its high stability (up to ten reuses without any significant loss in activity, the CdSe/TiO2 heterostructured catalysts show high potential for real water decontamination.

  1. Synthesis of CdSe nanoparticles and their effect on the antioxidant activity of Spirulina platensis and Porphyridium cruentum cells

    International Nuclear Information System (INIS)

    Rudic, V.; Cepoi, L.; Rudi, L.; Chiriac, T.; Nicorici, A.; Todosiciuc, A.; Gutsul, T.

    2011-01-01

    Single-crystalline cadmium selenide nanoparticles were obtained using high-temperature solution phase synthesis (HTSPS) synthesis. X-Ray powder diffraction and transmission electron microscopy were used to confirm the crystallinity and morphology of the resulting nanoparticles. To study the action of CdSe on antioxidant activity, we selected two biotechnological important strains of microalgae: cyanobacteria Spirulina platensis and red microalgae Porphyridium cruentum. In the case of Porphyridium cruentum, the obtained results demonstrated an increase in the productivity. For Spirulina platensis, the presence of the compound in the cultivating medium decreased the productivity of cyanobacteria.

  2. The influence of CdSe and ZnSe nanoparticles on the optical properties of Sm"3"+ ions in lead borate glasses

    International Nuclear Information System (INIS)

    Mallur, Saisudha B.; Heidorn, William D.; Fatokun, Stephen O.; Joshi, Krishna D.; Bista, Sandip S.; Babu, Panakkattu K.

    2017-01-01

    The effect of glass composition and the presence of CdSe/ZnSe nanoparticles (NPs) on the optical absorption and fluorescence of Sm-doped lead borate glasses are studied. Three sets of glass samples xPbO:(99.5-x) B_2O_3:0.5Sm_2O_3, x = 29.5–69.5 mol%, xPbO:(96.5-x) B_2O_3:0.5Sm_2O_3: 3CdSe/ZnSe, x = 36.5, and 56.5 mol% are prepared. NPs are grown by annealing these glasses just below the glass transition temperature. Average size of both types of NPs increases with annealing time; however, CdSe NPs grew to a larger size range (2 to 20 nm) compared to ZnSe NPs (1 to 16 nm). We analyzed the hypersensitive transition, intensity parameters, radiative transition probability, stimulated emission cross section (σ_p), and the area ratio of the electric dipole/magnetic dipole transitions of Sm"3"+. The intensity parameters show a minimum at 11 h annealing for 36.5 mol% and a maximum for the same annealing duration in 56.5 mol% PbO containing CdSe NPs. The σ_p for 56.5 mol% of PbO with CdSe NPs is found to be a maximum when the average NP size is around 14 nm. ZnSe NPs containing glasses also show significant changes in σ_p when the average particle size is ~16 nm, for 36.5 mol% PbO. Our results suggest that the optical properties of Sm"3"+ in lead borate glasses are sensitive to its electronic environment which can be modified by varying the base glass composition and/or incorporating large NPs of CdSe/ZnSe. The large σ_p values that we observe for some of the glass compositions make them attractive materials for photonic devices and photovoltaic applications.

  3. The influence of CdSe and ZnSe nanoparticles on the optical properties of Sm{sup 3+} ions in lead borate glasses

    Energy Technology Data Exchange (ETDEWEB)

    Mallur, Saisudha B.; Heidorn, William D.; Fatokun, Stephen O.; Joshi, Krishna D.; Bista, Sandip S.; Babu, Panakkattu K., E-mail: PK-Babu@wiu.edu [Western Illinois University, Department of Physics (United States)

    2017-03-15

    The effect of glass composition and the presence of CdSe/ZnSe nanoparticles (NPs) on the optical absorption and fluorescence of Sm-doped lead borate glasses are studied. Three sets of glass samples xPbO:(99.5-x) B{sub 2}O{sub 3}:0.5Sm{sub 2}O{sub 3}, x = 29.5–69.5 mol%, xPbO:(96.5-x) B{sub 2}O{sub 3}:0.5Sm{sub 2}O{sub 3}: 3CdSe/ZnSe, x = 36.5, and 56.5 mol% are prepared. NPs are grown by annealing these glasses just below the glass transition temperature. Average size of both types of NPs increases with annealing time; however, CdSe NPs grew to a larger size range (2 to 20 nm) compared to ZnSe NPs (1 to 16 nm). We analyzed the hypersensitive transition, intensity parameters, radiative transition probability, stimulated emission cross section (σ{sub p}), and the area ratio of the electric dipole/magnetic dipole transitions of Sm{sup 3+}. The intensity parameters show a minimum at 11 h annealing for 36.5 mol% and a maximum for the same annealing duration in 56.5 mol% PbO containing CdSe NPs. The σ{sub p} for 56.5 mol% of PbO with CdSe NPs is found to be a maximum when the average NP size is around 14 nm. ZnSe NPs containing glasses also show significant changes in σ{sub p} when the average particle size is ~16 nm, for 36.5 mol% PbO. Our results suggest that the optical properties of Sm{sup 3+} in lead borate glasses are sensitive to its electronic environment which can be modified by varying the base glass composition and/or incorporating large NPs of CdSe/ZnSe. The large σ{sub p} values that we observe for some of the glass compositions make them attractive materials for photonic devices and photovoltaic applications.

  4. Antibacterial Activity Of ternary semiconductor compounds AgInSe2 Nanoparticles Synthesized by Simple Chemical Method

    Science.gov (United States)

    Shehab, A. A.; Fadaam, S. A.; Abd, A. N.; Mustafa, M. H.

    2018-05-01

    In this objective AgInSe2Nanoparticles (AgInSe2 NPs) were prepared by a simple chemical method (SCM). The optica structural l and morphological properties of the synthesized AgInSe2 NPs swere investigated by using UVVI absorption atomic force microscopy AFMmf, Fourier Transform Infrared Spectroscopy and x-ray diffraction. The resistance of bacteria represents a trouble and the outlook for the use of antibiotics in the future until now uncertain. Measures must be taken to decrease this problem. Antibacterial activity of the AgInSe2 nanoparticles were exposed against several pathogenic bacteriaa including Klebsiella pneumonia KPa, Staphylococcus aureus, Bacillus subtili, Enterobacter Cloacae and Esherichia Coliby. Using a good spread method the results showed that AgInSe2 NPs had inhibitory effect versus some pathogenic bacteria with suppression area 18, 14 and 17 mm for SAgInSe2 NPs had an inhibitory effect against S Bacillus Subtilis 11 mm K EnterobactercCloacae 12 mm.

  5. Monodispersed spherical shaped selenium nanoparticles (SeNPs) synthesized by Bacillus subtilis and its toxicity evaluation in zebrafish embryos

    Science.gov (United States)

    Chandramohan, Subburaman; Sundar, Krishnan; Muthukumaran, Azhaguchamy

    2018-02-01

    Selenium is one of the essential elements involved in antioxidative and antiinflammatory effects in human body. By naturally, selenium ions are metabolised and converted into nano selenium. Now a days there is an increasing attention on applications of nanoparticles in therapeutic field. In the present study Bacillus subtilis was used to convert sodium selenite to SeNPs. The synthesized SeNPs were characterized by Fourier Transform Infrared Spectroscopy (FTIR), X Ray Diffraction (XRD) and Scanning Electron Microscopy (SEM) coupled with Energy Dispersive X ray spectroscopy (EDX). The presence of SeNPs was confirmed by the formation of red colour. The bands were sharp with broad absorption peaks at 3562 cm-1 and 1678-1 cm in FTIR which showed that the bacterial proteins were responsible for the reduction of sodium selenite to SeNPs. The average size of the SeNPs was 334 nm and were spherical in shape with uniform distribution. The XRD data confirmed that SeNPs were of amorphous in nature. The zeta potential of SeNPs was negative in charge which indicated high stability. In the present study zebrafish embryos were used to study the toxicity of SeNPs and the results showed that the concentration beyond 10 μg ml-1 leads to toxic effects in embryos/hatchlings. The lesser concentration of SeNPs can be useful in various biomedical applications.

  6. Development of a hydrothermal method to synthesize spherical ZnSe nanoparticles: Appropriate templates for hollow nanostructures

    Directory of Open Access Journals (Sweden)

    S. Gharibe

    2014-01-01

    Full Text Available Hydrothermal method was used to synthesize pure ZnSe nanosphere materials. The effects of the reducing agent amount, the reaction time and temperature were investigated on the purity of ZnSe. Also, the effects of surfactants such as sodium dodecyl sulfate (SDS (anionic and cetyl trimethylammonium bromide (CTAB (cationic were studied on the morphology of ZnSe. The prepared nanospheres were characterized using XRD, SEM, TEM and UV-Vis spectroscopy. Through these techniques, it was found that the pure ZnSe nanoparticles have a zinc blend structure and in a spherical form with average diameter of 30 nm. DOI: http://dx.doi.org/10.4314/bcse.v28i1.5

  7. Fluency over the monoclinic zirconia indentation

    International Nuclear Information System (INIS)

    Pereira, A.S.; Jornada, J.A.H. da

    1992-01-01

    It was investigated the environment and the time dependence of the Vickers microhardness of monoclinic zirconia single-crystals. The samples were kept at room temperature and the identifications were performed for different environments (air, toluene and water). An indentation creep process was observed for the samples indented is moist media, indicating for a water activated plastic relaxation mechanism. The possible influence of such effect in the fatigue and phase transformations mechanisms of zirconia based ceramics is discussed. (author)

  8. Nonvolatile flexible organic bistable devices fabricated utilizing CdSe/ZnS nanoparticles embedded in a conducting poly N-vinylcarbazole polymer layer

    International Nuclear Information System (INIS)

    Son, Dong-Ick; Kim, Ji-Hwan; Park, Dong-Hee; Choi, Won Kook; Li, Fushan; Ham, Jung Hun; Kim, Tae Whan

    2008-01-01

    The bistable effects of CdSe/ZnS nanoparticles embedded in a conducting poly N-vinylcarbazole (PVK) polymer layer by using flexible poly-vinylidene difluoride (PVDF) and polyethylene terephthalate (PET) substrates were investigated. Transmission electron microscopy (TEM) images revealed that CdSe/ZnS nanoparticles were formed inside the PVK polymer layer. Current-voltage (I-V) measurement on the Al/[CdSe/ZnS nanoparticles+ PVK]/ITO/PVDF and Al/[CdSe/ZnS nanoparticles+ PVK ]/ITO/PET structures at 300 K showed a nonvolatile electrical bistability behavior with a flat-band voltage shift due to the existence of the CdSe/ZnS nanoparticles, indicative of trapping, storing and emission of charges in the electronic states of the CdSe nanoparticles. A bistable behavior for the fabricated organic bistable device (OBD) structures is described on the basis of the I-V results. These results indicate that OBDs fabricated by embedding inorganic CdSe/ZnS nanoparticles in a conducting polymer matrix on flexible substrates are prospects for potential applications in flexible nonvolatile flash memory devices

  9. Synthesis and analysis of ZnO and CdSe nanoparticles

    Indian Academy of Sciences (India)

    Introduction. Semiconductor nanoparticles is a very important topic in the ongoing research ac- ... Zinc oxide is attracting tremendous attention due to its interesting properties like ... Size selective precipitation was carried out using acetone as.

  10. Syntheses and characterization of thin films of Te94Se6 nanoparticles for semiconducting and optical devices

    International Nuclear Information System (INIS)

    Salah, Numan; Habib, Sami S.; Memic, Adnan; Alharbi, Najlaa D.; Babkair, Saeed S.; Khan, Zishan H.

    2013-01-01

    Thin films of Te 94 Se 6 nanoparticles were synthesized using the physical vapor condensation technique at different argon (Ar) pressures. The samples were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive spectroscopy, absorption spectrum, photoluminescence (PL) and Raman spectroscopy. XRD results show that the as-grown films have a polycrystalline structure. SEM images display uniform nanoparticles in these films where the size increases from ∼ 12 to about 60 nm by decreasing Ar pressure from 667 to 267 Pa. These as-grown thin films were found to have direct band gaps, whose value decreases with increasing particle size. The absorption and extinction coefficients for these films were also investigated. PL emission spectra exhibit three bands peaking at 666, 718 and 760 nm, while Raman spectra displayed three bands located at 123, 143 and 169 cm −1 . No significant changes are observed in positions or intensities of these bands by decreasing the Ar pressure, except that of the last band of PL; where the intensity increases. The obtained results on this Te 94 Se 6 nanomaterial especially its controlled direct bandgap might be useful for development of optical disks and other semiconducting devices. - Highlights: ► Thin films of Te 94 Se 6 nanoparticles were grown at different argon (Ar) pressures. ► Size of the nanoparticles increased by decreasing Ar pressure. ► They have direct band gap, whose value decreases by increasing the particle size. ► These nanomaterials might be useful for development of semiconducting devices

  11. Facile synthesis, growth mechanism, and optical properties of CdSe nanoparticles in self-assembled micellar media and their efficient conjugation with proteins

    Energy Technology Data Exchange (ETDEWEB)

    Mehta, S. K., E-mail: skmehta@pu.ac.in; Chaudhary, Savita; Kumar, Sanjay; Singh, Sukhjinder [Panjab University, Department of Chemistry and Centre of Advanced Studies in Chemistry (India)

    2010-06-15

    This article demonstrates the influence of various surfactants of different polarities-anionic, sodium dodecyl sulfate, cationic, hexadecyltrimethylammonium bromide and non-ionic, and polyoxyethylene iso-octyl phenyl ether (TX-100)-on the formation of CdSe nanoparticles in aqueous solutions. The surfactant-stabilizing effect has been monitored using transmission electron microscopy. Spectral properties of CdSe nanoparticles have been investigated; the structure of the long-wave edge of the fundamental absorption band of CdSe nanoparticles has been analyzed. It has been shown that the variation of the synthesizing conditions (stabilizer's nature and concentration, CdSe concentration, etc.) allows the tailoring of the CdSe nanoparticle size in the range of 8-17 nm. Lifshitz-Slyrzov-Wagner kinetic analysis has also been performed using the size variation according to ripening temperature and time period. The differences in the stabilization ability of tested substances are discussed with respect to their structure and possible mechanism of the surface interaction with the nanoparticles. The flexible surface chemistry of the CdSe-micelles causes them to be water soluble and allows their further conjugation with protein molecules through electrostatic attraction. The interaction between functionalized CdSe nanoparticles with protein molecules have been investigated using fluorescence spectroscopy.

  12. SILAR controlled CdSe nanoparticles sensitized ZnO nanorods photoanode for solar cell application: Electrolyte effect.

    Science.gov (United States)

    Nikam, Pratibha R; Baviskar, Prashant K; Majumder, Sutripto; Sali, Jaydeep V; Sankapal, Babasaheb R

    2018-08-15

    Controlled growth of different sizes of cadmium selenide (CdSe) nanoparticles over well aligned ZnO nanorods have been performed using successive ionic layer adsorption and reaction (SILAR) technique at room temperature (27 °C) in order to form nano heterostructure solar cells. Deposition of compact layer of zinc oxide (ZnO) by SILAR technique on fluorine doped tin oxide (FTO) coated glass substrate followed by growth of vertically aligned ZnO nanorods array using chemical bath deposition (CBD) at low temperature (SILAR cycles for CdSe and with use of different electrolytes have been recorded as J-V characteristics and the maximum conversion efficiency of 0.63% have been attained with ferro/ferri cyanide electrolyte for 12 cycles CdSe coating over 1-D ZnO nanorods. Copyright © 2018 Elsevier Inc. All rights reserved.

  13. Electrochemiluminescent detection of Pb{sup 2+} by graphene/gold nanoparticles and CdSe quantum dots

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Liping, E-mail: lipinglu@bjut.edu.cn; Guo, Linqing; Li, Jiao; Kang, Tianfang; Cheng, Shuiyuan

    2016-12-01

    Highlights: • An ECL sensor was fabricated based on the distance dependent between CdSe QDs and gold nanoparticles. • The ssDNA strands rich in G bases adopt the G4 conformation when Pb{sup 2+} is present in detection system. • AuNPs/RGO composite improved the performance of electron transfer of sensor. • The ECL sensor was used to detect Pb{sup 2+} concentration in an actual water sample with high sensitivity and selectivity. - Abstract: A highly sensitive electrochemiluminescent detection method for lead ions (Pb(II)) was fabricated based on the distance-dependent quenching of the electrochemiluminescence from CdSe quantum dots by nanocomposites of graphene and gold nanoparticles. Graphene/gold nanoparticles were electrochemically deposited onto a glassy carbon electrode through the constant potential method. Thiol-labeled DNA was then assembled on the surface of the electrode via gold−sulfur bonding, following which the amino-labeled terminal of the DNA was linked to carboxylated CdSe quantum dots by the formation of amide bonds. The 27-base aptamer was designed with two different domains: the immobilization and detection sequences. The immobilization sequence was paired with 12 complementary bases and immobilized on the gold electrode; the single-stranded detection sequence, rich in G bases, formed a G-quadruplex (G4) structure in the presence of Pb{sup 2+}. The formation of G4 shortens the distance between the CdSe quantum dots and the Au electrode, which decreases the electrochemiluminescent intensity in a linear fashion, proportional to the concentration of Pb(II). The linear range of the sensor was 10{sup −10} to 10{sup −8} mol/L (R = 0.9819) with a detection limit of 10{sup −10} mol/L. This sensor detected Pb(II) in real water samples with satisfactory results.

  14. Study of de-aggregation of mechanochemically synthesized ZnSe nanoparticles by re-milling in the presence of ZnCl2 solution

    Directory of Open Access Journals (Sweden)

    Marcela Achimovičová

    2013-12-01

    Full Text Available Conventional mechanochemical synthesis of zinc selenide, ZnSe nanoparticles was performed in a planetary ball mill by high-energy milling of zinc (Zn and selenium (Se powders. Mechanochemically synthesized ZnSe was subsequently re-milled in circulation mill in ZnCl2 solution in order to study de-aggregation, physical-chemical and optical properties of ZnSe nanoparticles. The mechanochemically synthesized and re-milled samples were characterized by X-ray diffraction analysis (XRD that confirmed the presence of cubic and hexagonal ZnSe phases. Size of crystallites calculated from XRD patterns has decreased from 50 to 19 nm for cubic ZnSe phase and from 145 to 2.5 nm for hexagonal ZnSe phase after re-milling for 110 min in ZnCl2 solution. Size, phase composition, morphology, and crystallinity of ZnSe nanoparticles were studied by transmission electron microscopy (TEM and selected area electron diffraction (SAED. UV-Vis optical spectroscopy has provided an evidence of blue shift of the re-milled nanocrystalline ZnSe particles from the direct band gap of 2.67 eV characteristic of bulk ZnSe crystals. Colloidal stability of ZnSe nanoparticles dispersions was studied by ? �potential measurements.

  15. Synthesis and characterization of manganese diselenide nanoparticles (MnSeNPs): Determination of capsaicin by using MnSeNP-modified glassy carbon electrode.

    Science.gov (United States)

    Sukanya, Ramaraj; Sakthivel, Mani; Chen, Shen-Ming; Chen, Tse-Wei; Al-Hemaid, Fahad M A; Ajmal Ali, M; Elshikh, Mohamed Soliman

    2018-06-02

    A new type of manganese diselenide nanoparticles (MnSeNPs) was synthesized by using a hydrothermal method. Their surface morphology, crystallinity and elemental distribution were characterized by using transmission electron microscopy, X-ray diffraction, energy dispersive X-ray spectroscopy, and X-ray photoelectron spectroscopy which scrutinize the formation of the NPs. The NPs were coated on a glassy carbon electrode (GCE), and electrochemical impedance spectroscopy, cyclic voltammetry and differential pulse voltammetry were applied to study the electroanalytical properties towards the oxidation of the food additive capsaicin. The modified GCE displays lower charge transfer resistance (R ct  = 29.52 Ω), a larger active surface area (0.089 cm 2 /g, and more efficient electrochemical oxidation of capsaicin compared to a MnS 2 /GCE and a bare GCE. The oxidation peak potential is 0.43 V (vs. Ag/AgCl) which is lower than that of previously reported GCEs. The sensor has a detection limit as low as 0.05 μM and an electrochemical sensitivity of 2.41 μA μM -1  cm -2 . The method was applied to the determination of capsaicin in pepper samples. Graphical abstract Electrochemical determination of capsaicin in pepper extract by using MnSeNPs modified electrode.

  16. The monoclinic polymorph of dimethylarsinic acid

    Directory of Open Access Journals (Sweden)

    Richard Betz

    2011-08-01

    Full Text Available The title compound, C2H7AsO2 or [As(CH32O(OH], is an organic derivative of arsinic acid, and is also known by its trivial name cacodylic acid. In contrast to the first polymorph (triclinic, space group Poverline{1}, Z = 2, the current study revealed monoclinic symmetry (space group C2/c, Z = 8 for the second polymorph. The configuration of the tetrahedral molecule shows approximate Cs symmetry. Strong O—H...O hydrogen bonds connect the molecules to infinite zigzag chains along [010], which are further connected by weak intermolecular C—H...O contacts into a three-dimensional network.

  17. Structural, optical, and photoluminescence characterization of electron beam evaporated ZnS/CdSe nanoparticles thin films

    Science.gov (United States)

    Mohamed, S. H.; Ali, H. M.

    2011-01-01

    Structural, optical, and photoluminescence investigations of ZnS capped with CdSe films prepared by electron beam evaporation are presented. X-ray diffraction analysis revealed that the ZnS/CdSe nanoparticles films contain cubic cadmium selenide and hexagonal zinc sulfide crystals and the ZnS grain sizes increased with increasing ZnS thickness. The refractive index was evaluated in terms of envelope method, which has been suggested by Swanepoel in the transparent region. The refractive index values were found to increase with increasing ZnS thickness. However, the optical band gap and the extinction coefficient were decreased with increasing ZnS thickness. Photoluminescence (PL) investigations revealed the presence of two broad emission bands. The ZnS thickness significantly influenced the PL intensities.

  18. Role of Mn2+ concentration in the linear and nonlinear optical properties of Ni1-xMnxSe nanoparticles

    Science.gov (United States)

    Anugop, B.; Prasanth, S.; Rithesh Raj, D.; Vineeshkumar, T. V.; Pranitha, S.; Mahadevan Pillai, V. P.; Sudarsanakumar, C.

    2016-12-01

    Ni1-xMnxSe nanoparticles (x = 0.1, 0.3, 0.5, 0.7, 0.9) were successfully synthesized by chemical co-precipitation method and their structural and optical properties were studied using X-ray diffraction, transmission electron microscopy, UV-Visible absorption and photo luminescence spectroscopy. XRD pattern reveals the hexagonal structure of the particles and the peak positions were shifted to higher 2θ values with increase in Mn2+ concentration. The average particle size determined from XRD varies from 6 to 11 nm. The UV-Visible absorption spectrum shows absorption edge around the blue region and is red-shifted with increasing Mn2+ concentration consequently the optical bandgap energy is decreasing. The PL emission spectrum shows a broad emission around 380 nm, and the intensity of the emission decreases with increase in Mn2+ concentration. The nonlinear optical properties of the samples were analysed using Z-scan technique and the samples show optical limiting behaviour and the 2 PA coefficient increases with increasing Mn2+ concentration. Overall, manganese concentration influences the linear and nonlinear optical properties of Ni1-xMnxSe nanoparticles.

  19. Synthesis of single phase chalcopyrite CuIn1−xGaxSe2 (0 ≤ x ≤ 1) nanoparticles by one-pot method

    International Nuclear Information System (INIS)

    Han, Zhaoxia; Zhang, Dawei; Chen, Qinmiao; Hong, Ruijin; Tao, Chunxian; Huang, Yuanshen; Ni, Zhengji; Zhuang, Songlin

    2014-01-01

    Graphical abstract: - Highlights: • A facile and rapid one-pot synthesis method is presented. • The effects of various Ga contents are investigated. • Single phase chalcopyrite CuIn 1−x Ga x Se 2 nanoparticles can be easily synthesized. • The phase formation sequence is from CuSe to CuGaSe 2 , then to CuIn 1−x Ga x Se 2 . • The possible reaction mechanism of CuIn 1−x Ga x Se 2 nanoparticles is proposed. - Abstract: Single phase chalcopyrite and near stoichiometric CuIn 1−x Ga x Se 2 (0 ≤ x ≤ 1) nanoparticles were successfully synthesized by using a facile and rapid one-pot method. The effects of various Ga contents on crystal phase, morphology, element composition and absorption spectrum of the as-synthesized CuIn 1−x Ga x Se 2 nanoparticles were investigated in detail. The XRD and Raman patterns indicated that the as-synthesized nanoparticles had a single phase chalcopyrite structure, and the diffraction peaks shifted toward larger diffraction angles or higher frequencies with increasing Ga content. The FE-SEM images showed that the as-synthesized nanoparticles were polydispersed in both size and shape, and the nanoparticles with higher Ga content were more prone to aggregate. The Vis–IR absorption spectra showed strong absorption in the entire visible light region. The estimated band gap increased from 1.00 eV to 1.68 eV as Ga content increasing

  20. 2-(4-Fluorobenzylidenepropanedinitrile: monoclinic polymorph

    Directory of Open Access Journals (Sweden)

    Ahmed M. El-Agrody

    2013-04-01

    Full Text Available The title compound, C10H5FN2, is a monoclinic (P21/c polymorph of the previously reported triclinic (P-1 form [Antipin et al. (2003. J. Mol. Struct. 650, 1–20]. The 13 non-H atoms in the title polymorph are almost coplanar (r.m.s. deviation = 0.020 Å; a small twist between the fluorobenzene and dinitrile groups [C—C—C—C torsion angle = 175.49 (16°] is evident in the triclinic polymorph. In the crystal, C—H...N interactions lead to supramolecular layers parallel to (-101; these are connected by C—F...π interactions.

  1. Investigating uptake of water-dispersible CdSe/ZnS quantum dot nanoparticles by Arabidopsis thaliana plants

    International Nuclear Information System (INIS)

    Navarro, Divina A.; Bisson, Mary A.; Aga, Diana S.

    2012-01-01

    Graphical abstract: This study highlights the importance of quantum dot (QD) structural stability in preventing phytotoxicity. Overall, there is no evidence that Arabidopsis thaliana plants can internalize intact QDs within 1–7 days of exposure, with or without humic acids. Highlights: ► Potential uptake of water-dispersible CdSe/ZnS QDs by Arabidopsis was demonstrated. ► QDs were not internalized by Arabidopsis as intact particles. ► Plants exposed to Cd-, Se-, and QD + HA suspensions experienced oxidative stress. ► An effective LC–MS method proves detection of low levels of glutathione in plants. ► Uptake of Cd and/or Se leached from QDs is of major concern. - Abstract: Interest on the environmental impacts of engineered nanomaterials has rapidly increased over the past years because it is expected that these materials will eventually be released into the environment. The present work investigates the potential root uptake of water-dispersible CdSe/ZnS quantum dots (QDs) by the model plant species, Arabidopsis thaliana. Experiments revealed that Arabidopsis exposed to QDs that are dispersed in Hoagland's solution for 1–7 days did not internalize intact QDs. Analysis of Cd and Se concentrations in roots and leaves by inductively-coupled plasma mass spectrometry indicated that Cd and Se from QD-treated plants were not translocated into the leaves, and remained in the root system of Arabidopsis. Furthermore, fluorescence microscopy showed strong evidence that the QDs were generally on the outside surfaces of the roots, where the amount of QDs adsorbed is dependent on the stability of the QDs in suspension. Despite no evidence of nanoparticle internalization, the ratio of reduced glutathione levels (GSH) relative to the oxidized glutathione (GSSG) in plants decreased when plants were exposed to QD dispersions containing humic acids, suggesting that QDs caused oxidative stress on the plant at this condition.

  2. Langmuir-Blodgett films of alkane chalcogenice (S, Se, Te) stabilized gold nanoparticles

    DEFF Research Database (Denmark)

    Brust, M.; Stuhr-Hansen, N.; Norgaard, K.

    2001-01-01

    Gold nanoparticles stabilized by alkanethiolates, alkaneselenides, and alkanetellurides have been prepared by analogous methods. Chloroform solutions of thiolate and selenide stabilized particles were spread and evaporated on the water/air interface where the particles formed well-defined Langmuir...... films. The films were transferred to solid supports of freshly cleaved mica and were studied by atomic force microscopy (AFM). The particles were found to have an average core diameter of 2 nm. The stability of the particles under ambient conditions increased in the order Te

  3. Direct growth of CdSe nanorods on ITO substrates by co-anchoring of ZnO nanoparticles and ethylenediamine

    International Nuclear Information System (INIS)

    Pan Shangke; Xu Tingting; Venkatesan, Swaminathan; Qiao Qiquan

    2012-01-01

    To grow CdSe nanorods directly onto indium tin oxide (ITO) substrates, a ZnO buffer layer composed of nanoparticles with diameter of ∼30–40 nm was prepared by spin coating ZnO sol–gel solution onto the ITO substrates. CdSe nanorods were then successfully in situ grown onto ITO substrates with diameter of ∼30–40 nm and length of ∼120–160 nm using solvothermal method in which CdSe·0.5en (en = ethylenediamine) acted as solution precursor. The in situ synthesized CdSe nanorods were conformed and characterized by atomic force microscope and electron microscopy. The mechanism of such in situ CdSe growth was understood as ZnO nanoparticles anchored en onto ITO substrates, while en linked CdSe with ZnO.

  4. A Novel DNA Nanosensor Based on CdSe/ZnS Quantum Dots and Synthesized Fe3O4 Magnetic Nanoparticles

    Directory of Open Access Journals (Sweden)

    Roozbeh Hushiarian

    2014-04-01

    Full Text Available Although nanoparticle-enhanced biosensors have been extensively researched, few studies have systematically characterized the roles of nanoparticles in enhancing biosensor functionality. This paper describes a successful new method in which DNA binds directly to iron oxide nanoparticles for use in an optical biosensor. A wide variety of nanoparticles with different properties have found broad application in biosensors because their small physical size presents unique chemical, physical, and electronic properties that are different from those of bulk materials. Of all nanoparticles, magnetic nanoparticles are proving to be a versatile tool, an excellent case in point being in DNA bioassays, where magnetic nanoparticles are often used for optimization of the hybridization and separation of target DNA. A critical step in the successful construction of a DNA biosensor is the efficient attachment of biomolecules to the surface of magnetic nanoparticles. To date, most methods of synthesizing these nanoparticles have led to the formation of hydrophobic particles that require additional surface modifications. As a result, the surface to volume ratio decreases and nonspecific bindings may occur so that the sensitivity and efficiency of the device deteriorates. A new method of large-scale synthesis of iron oxide (Fe3O4 nanoparticles which results in the magnetite particles being in aqueous phase, was employed in this study. Small modifications were applied to design an optical DNA nanosensor based on sandwich hybridization. Characterization of the synthesized particles was carried out using a variety of techniques and CdSe/ZnS core-shell quantum dots were used as the reporter markers in a spectrofluorophotometer. We showed conclusively that DNA binds to the surface of ironoxide nanoparticles without further surface modifications and that these magnetic nanoparticles can be efficiently utilized as biomolecule carriers in biosensing devices.

  5. Phosphonic acids aid composition adjustment in the synthesis of Cu_2_+_xZn_1_−_xSnSe_4_−_y nanoparticles

    International Nuclear Information System (INIS)

    Ibáñez, Maria; Berestok, Taisiia; Dobrozhan, Oleksandr; LaLonde, Aaron; Izquierdo-Roca, Victor; Shavel, Alexey; Pérez-Rodríguez, Alejandro; Snyder, G. Jeffrey; Cabot, Andreu

    2016-01-01

    The functional properties of quaternary I_2–II–IV–VI_4 nanomaterials, with potential interest in various technological fields, are highly sensitive to compositional variations, which is a challenging parameter to adjust. Here we demonstrate the presence of phosphonic acids to aid controlling the reactivity of the II element monomer to be incorporated in quaternary Cu_2ZnSnSe_4 nanoparticles and thus to provide a more reliable way to adjust the final nanoparticle metal ratios. Furthermore, we demonstrate the composition control in such multivalence nanoparticles to allow modifying charge carrier concentrations in nanomaterials produced from the assembly of these building blocks.

  6. On the role of Pb0 atoms on the nucleation and growth of PbSe and PbTe nanoparticles

    International Nuclear Information System (INIS)

    Garcia-Gutierrez, Domingo I.; Leon-Covian, Lina M. De; Garcia-Gutierrez, Diana F.; Treviño-Gonzalez, M.; Garza-Navarro, M. A.; Sepulveda-Guzman, S.

    2013-01-01

    In this contribution, a nucleation and growth mechanism of PbSe and PbTe nanoparticles are proposed. The formation and growth of PbSe and PbTe nanoparticles during their reaction synthesis were studied and followed using transmission electron microscopy, and their related techniques. In the synthesis method, trioctylphosphine-selenide and telluride were used as the chalcogen precursors, while lead oleate was employed as the lead precursor. Different synthesis conditions were tested to assess the effect of varying the reaction time, lead to chalcogen ratio, reaction temperature, and lead oleate concentration. The synthesized nanoparticles were characterized by means of electron diffraction, energy dispersive X-ray spectroscopy, scanning transmission electron microscopy, and electron energy loss spectroscopy, to obtain information related to their morphology, crystal structure, and composition. The experimental results suggest that the growth of the lead chalcogenide nanoparticles greatly relies on the reduction of Pb 2+ ions to Pb 0 atoms at early reaction times; this reduction of the lead precursor is evidenced by the formation of Pb nanoparticles with sizes between 1 and 3 nm under certain synthesis conditions. These Pb nanoparticles gradually disappear as the reaction progresses, suggesting that the reduced Pb 0 atoms are able to contribute to the growth of the PbSe and PbTe nanoparticles, reaching sizes between 8 and 18 nm. The current results contribute to a better understanding of the nucleation and growth mechanisms of lead chalcogenide nanoparticles, which will enable the definition of more efficient synthesis routes of these types of nanostructures.

  7. On the role of Pb{sup 0} atoms on the nucleation and growth of PbSe and PbTe nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Garcia-Gutierrez, Domingo I., E-mail: domingo.garciagt@uanl.edu.mx; Leon-Covian, Lina M. De; Garcia-Gutierrez, Diana F. [Universidad Autonoma de Nuevo Leon, UANL, Facultad de Ingenieria Mecanica y Electrica, FIME (Mexico); Trevino-Gonzalez, M. [Centro de Innovacion, Investigacion y Desarrollo en Ingenieria y Tecnologia, CIIDIT, Universidad Autonoma de Nuevo Leon, UANL (Mexico); Garza-Navarro, M. A.; Sepulveda-Guzman, S. [Universidad Autonoma de Nuevo Leon, UANL, Facultad de Ingenieria Mecanica y Electrica, FIME (Mexico)

    2013-05-15

    In this contribution, a nucleation and growth mechanism of PbSe and PbTe nanoparticles are proposed. The formation and growth of PbSe and PbTe nanoparticles during their reaction synthesis were studied and followed using transmission electron microscopy, and their related techniques. In the synthesis method, trioctylphosphine-selenide and telluride were used as the chalcogen precursors, while lead oleate was employed as the lead precursor. Different synthesis conditions were tested to assess the effect of varying the reaction time, lead to chalcogen ratio, reaction temperature, and lead oleate concentration. The synthesized nanoparticles were characterized by means of electron diffraction, energy dispersive X-ray spectroscopy, scanning transmission electron microscopy, and electron energy loss spectroscopy, to obtain information related to their morphology, crystal structure, and composition. The experimental results suggest that the growth of the lead chalcogenide nanoparticles greatly relies on the reduction of Pb{sup 2+} ions to Pb{sup 0} atoms at early reaction times; this reduction of the lead precursor is evidenced by the formation of Pb nanoparticles with sizes between 1 and 3 nm under certain synthesis conditions. These Pb nanoparticles gradually disappear as the reaction progresses, suggesting that the reduced Pb{sup 0} atoms are able to contribute to the growth of the PbSe and PbTe nanoparticles, reaching sizes between 8 and 18 nm. The current results contribute to a better understanding of the nucleation and growth mechanisms of lead chalcogenide nanoparticles, which will enable the definition of more efficient synthesis routes of these types of nanostructures.

  8. Integration of plasmonic Ag nanoparticles as a back reflector in ultra-thin Cu(In,Ga)Se_2 solar cells

    International Nuclear Information System (INIS)

    Yin, Guanchao; Steigert, Alexander; Andrae, Patrick; Goebelt, Manuela; Latzel, Michael; Manley, Phillip; Lauermann, Iver; Christiansen, Silke; Schmid, Martina

    2015-01-01

    Graphical abstract: Plasmonic Ag nanoparticles as a back reflector in ultra-thin Cu(In,Ga)Se_2 (CIGSe) solar cells are investigated. Ag diffusion is successfully passivated by reducing the substrate temperature and introducing a 50 nm atomic layer deposition (ALD) prepared Al_2O_3 film. This clears the thermal obstacle in incorporating Ag nanoparticles in CIGSe solar cells. Simulations show that Ag nanoparticles have the potential to greatly enhance the light absorption in ultra-thin CIGSe solar cells. - Highlights: • Ag nanoparticles are able to diffuse through ITO substrate into CIGSe absorber even at a low substrate temperature of 440 °C. • The direction (inserting a dielectric passivation layer) to thermally block the Ag diffusion and the requirements for the passivation layer are indicated and generalized. • An atomic layer deposited Al_2O_3 layer is experimentally proved to be able to thermally passivate the Ag nanoparticles, which clears the thermal obstacle in using Ag nanoparticles as a back reflector in ultra-thin CIGSe solar cells. • It is theoretically proved that the Ag nanoparticles as a back reflector have the potential to effectively enhance the absorption in ultra-thin CIGSe solar cells. - Abstract: Integration of plasmonic Ag nanoparticles as a back reflector in ultra-thin Cu(In,Ga)Se_2 (CIGSe) solar cells is investigated. X-ray photoelectron spectroscopy results show that Ag nanoparticles underneath a Sn:In_2O_3 back contact could not be thermally passivated even at a low substrate temperature of 440 °C during CIGSe deposition. It is shown that a 50 nm thick Al_2O_3 film prepared by atomic layer deposition is able to block the diffusion of Ag, clearing the thermal obstacle in utilizing Ag nanoparticles as a back reflector in ultra-thin CIGSe solar cells. Via 3-D finite element optical simulation, it is proved that the Ag nanoparticles show the potential to contribute the effective absorption in CIGSe solar cells.

  9. Photonic sintering of thin film prepared by dodecylamine capped CuIn{sub x}Ga{sub 1−x}Se{sub 2} nanoparticles for printed photovoltaics

    Energy Technology Data Exchange (ETDEWEB)

    Singh, Manjeet, E-mail: msitbhu@gmail.com; Jiu, Jinting; Sugahara, Tohru; Suganuma, Katsuaki

    2014-08-28

    In this paper, we report solution phase large scale synthesis of monodisperse phase pure CuIn{sub x}Ga{sub 1−x}Se{sub 2} (CIGS) nanoparticles by using dodecylamine as solvent and dispersant. Various compositions of CIGS nanoparticles with different Ga content are synthesized by simply adding different amounts of Ga precursors. The band gap of CIGS nanoparticles can be tuned by changing Ga content. Effort is given to understand the formation pathway of CIGS phase so as to make the synthesis easier for the desired product. High intensity pulsed light technique, which provides extreme local heating, is used to sinter the thin film prepared using these nanoparticles on a Mo–glass surface. A uniformly conductive and dense CIGS film can be prepared by adjusting the energy of light and exposure time. The high intensity light irradiation of the CIGS film leads to diffusion of smaller CIGS nanoparticles to form a particle with larger grain size and thus enables sintering of particles without using high temperature processing. - Highlights: • Large scale synthesis of CuIn{sub x}Ga{sub 1−x}Se{sub 2} (CIGS) is reported. • Dodecylamine is used as surfactant and solvent. • CIGS phase formation mechanism is described. • High intensity pulsed light technique is used to sinter the CIGS film.

  10. Electrophoretic deposition of Cu2ZnSn(S0.5Se0.5)4 films using solvothermal synthesized nanoparticles

    Science.gov (United States)

    Badkoobehhezaveh, Amir Masoud; Abdizadeh, Hossein; Golobostanfard, Mohammad Reza

    2018-01-01

    In this paper, a simple, practical, and fast solvothermal route is presented for synthesizing the Cu2ZnSn(S0.5Se0.5)4 nanoparticles (CZTSSe). In this method, the precursors were dissolved in triethylenetetramine and placed in an autoclave at 240 °C for 1 h under controlled pressure and constant stirring. After washing the samples for several times with absolute ethanol, the obtained CZTSSe nanoparticles were successfully deposited on fluorine doped tin oxide substrates by convenient electrophoretic deposition (EPD) using colloidal nanoparticles. The most appropriate parameters for EPD of pre-synthesized CZTSSe nanoparticles which result in proper surface properties, controlled thickness, and high film quality are investigated by adjusting applied voltage, pH, and deposition time. X-ray diffraction pattern and Raman spectroscopy of the pre-synthesized nanoparticles show kesterite structure formation. The particle size of the CZTSSe nanoparticles is in the range of 100 to 400 nm and for some agglomerates, it is about 2 µm confirmed by scanning electron microscope. The deposited film with optimized parameter has acceptable quality without any crack in it with the thickness of about 4-5 µm. Energy-dispersive X-ray spectroscopy confirms that the chemical composition of the samples is in near stoichiometric Cu-poor and Zn-rich region, which guarantees the p-type character of the film. The diffuse reflectance spectroscopy also demonstrates that the optical band gap of the sample is about 1.2 eV.

  11. Structural studies of mechano-chemically synthesized CuIn1-xGaxSe2 nanoparticles

    International Nuclear Information System (INIS)

    Vidhya, B.; Velumani, S.; Arenas-Alatorre, Jesus A.; Morales-Acevedo, Arturo; Asomoza, R.; Chavez-Carvayar, J.A.

    2010-01-01

    CuInGaSe 2 is a I-III-VI 2 semiconducting material of tetragonal chalcopyrite structure. It is a very prominent absorber layer for photovoltaic devices. Particle-based coating process for CIGS is considered to be promising technique with relatively simple procedures and low initial investment. In the present work CIGS nanoparticle precursors suitable for screen-printing ink has been prepared by ball milling. High purity elemental copper granules, selenium and indium powders and fine chips of gallium were used as starting materials. First the ball milling was carried out for CuIn 1-x Ga x Se 2 (x = 0.5) with (i) 10 ml of ethyl alcohol (ii) 5 ml of tetra ethylene glycol (wet) and (iii) 1 ml of ethylene diamine (semi-dry) for a milling time of 3 h and the results are not stoichiometric. In order to obtain an improved stoichiometric composition dry ball milling of elemental sources for three different compositions of CuIn 1-x Ga x Se 2 (x = 0.25, 0.5 and 0.75) has been carried out. X-ray diffraction analysis revealed the presence of (1 1 2), (2 2 0)/(2 0 4), (3 1 2)/(1 1 6), (4 0 0) and (3 3 2) reflections for all the milled powders. These reflections correspond to chalcopyrite structure of CIGS. Shift in peaks towards higher value of 2θ is observed with the increase in Ga composition. Average grain size calculated by Scherrer's formula is found to be around 13 nm for the dry samples milled for 1.5 h and 7-8 nm for the samples wet milled for 3 h. Lattice constants 'a' and 'c' are found to decrease with the increase in concentration of Gallium. FESEM analysis revealed a strong agglomeration of the particles and the particle size varied from 11 to 30 nm for the dry-milled samples. Composition of milled powders has been studied by energy dispersive X-ray analysis. TEM analysis revealed the presence of nanocrystalline particles and SAED pattern corresponds to (1 1 2), (2 2 0)/(2 0 4), (5 1 2)/(4 1 7) and (6 2 0)/(6 0 4) diffraction peaks of CIGS. From the HRTEM analysis

  12. Dynamic equilibrium of endogenous selenium nanoparticles in selenite-exposed cancer cells: a deep insight into the interaction between endogenous SeNPs and proteins.

    Science.gov (United States)

    Bao, Peng; Chen, Song-Can; Xiao, Ke-Qing

    2015-12-01

    Elemental selenium (Se) was recently found to exist as endogenous nanoparticles (i.e., SeNPs) in selenite-exposed cancer cells. By sequestrating critical intracellular proteins, SeNPs appear capable of giving rise to multiple cytotoxicity mechanisms including inhibition of glycolysis, glycolysis-dependent mitochondrial dysfunction, microtubule depolymerization and inhibition of autophagy. In this work, we reveal a dynamic equilibrium of endogenous SeNP assembly and disassembly in selenite-exposed H157 cells. Endogenous SeNPs are observed both in the cytoplasm and in organelles. There is an increase in endogenous SeNPs between 24 h and 36 h, and a decrease between 36 h and 72 h according to transmission electron microscopy results and UV-Vis measurements. These observations imply that elemental Se in SeNPs could be oxidized back into selenite by scavenging superoxide radicals and ultimately re-reduced into selenide; then the assembly and disassembly of SeNPs proceed simultaneously with the sequestration and release of SeNP high-affinity proteins. There is also a possibility that the reduction of elemental Se to selenide pathway may lie in selenite-exposed cancer cells, which results in the assembly and disassembly of endogenous SeNPs. Genome-wide expression analysis results show that endogenous SeNPs significantly altered the expression of 504 genes, compared to the control. The endogenous SeNPs induced mitochondrial impairment and decreasing of the annexin A2 level can lead to inhibition of cancer cell invasion and migration. This dynamic flux of endogenous SeNPs amplifies their cytotoxic potential in cancer cells, thus provide a starting point to design more efficient intracellular self-assembling systems for overcoming multidrug resistance.

  13. Optical studies on Zn-doped lead chalcogenide (PbSe){sub 100−x}Zn{sub x} thin films composed of nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Ashraf, Md. Tanweer [Department of Applied Sciences and Humanities, Jamia Millia Islamia (JMI), New Delhi-25 (India); Salah, Numan A. [Center of Nanotechnology, King Abdulaziz University, Jeddah (Saudi Arabia); Rafat, M. [Department of Applied Sciences and Humanities, Jamia Millia Islamia (JMI), New Delhi-25 (India); Zulfequar, M. [Department of Physics, Jamia Millia Islamia, New Delhi-25 (India); Khan, Zishan H., E-mail: zishan_hk@yahoo.co.in [Department of Applied Sciences and Humanities, Jamia Millia Islamia (JMI), New Delhi-25 (India)

    2016-08-01

    The effect of laser-Irradiation on the optical properties of Zn-doped PbSe thin films composed of nanoparticles has been studied. Scanning electron microscope (SEM) investigations suggest the formation of nanoparticles of average size of 50 nm for all the studied Zn compositions. XRD studies show that the as-prepared thin films are polycrystalline in nature. The formation of nanoparticles of Zn-doped PbSe has been confirmed by indexing the crystal planes as observed in the XRD spectra. The addition of Zn in (PbSe){sub 100−x}Zn{sub x} thin films result in the blue shift in photoluminescence spectra, this blue shift is associated with the narrowing of the band gap. Optical absorption measurements reveal a direct band gap for the present samples, which decreases on increasing the Zn content. The same trend has also been observed for the samples irradiated with laser. Further, the calculated values of Urbach energy are found to increase with the increase in Zn contents for the as-prepared as well as laser-irradiated samples. All the above observations agree well with the results of optical band gap and suggest that the decrease in band gap may be due to increase in band tails, defects and particle size. - Highlights: • Nanoparticles of Zn doped (PbSe){sub 100−x}Zn{sub x} lead chalcogenides have been synthesized. • Effect of laser irradiation on optical properties of (PbSe){sub 100−x}Zn{sub x} has been studied. • A blue shift in PL spectra is obtained on Zn incorporation.

  14. Using reduced graphene oxide-Ca:CdSe nanocomposite to enhance photoelectrochemical activity of gold nanoparticles functionalized tungsten oxide for highly sensitive prostate specific antigen detection.

    Science.gov (United States)

    Wang, Xueping; Xu, Rui; Sun, Xu; Wang, Yaoguang; Ren, Xiang; Du, Bin; Wu, Dan; Wei, Qin

    2017-10-15

    An ultrasensitive sandwich-type photoelectrochemical (PEC) immunosensor was constructed for the detection of prostate specific antigen (PSA). In this work, Au-nanoparticle-loaded tungsten oxide (WO 3 -Au) hybrid composites was applied as PEC sensing platform, while Ca ions doped CdSe equipped on the conducting framework of reduced graphene oxide (rGO-Ca:CdSe) nanocomposites were employed as the signal amplification probe. As for WO 3 -Au, massive Au nanoparticles were formed on the surface of WO 3 without any additional reducing agent, providing a novel nanocarriers for anchoring plenty of the primary antibodies due to the large specific surface area and good biocompatibility by chemical bonding between Au nanoparticles and -NH 2 of antibodies. Besides, the incorporation of the rGO and the doping of Ca ions could improve the conductivity and hinder the recombination of electron-hole pairs of CdSe nanoparticles effectively, thereby enhancing the photocurrent conversion efficiency. Based on the sandwich immunoreaction, the primary antibody was immobilized onto WO 3 -Au substrate, after the formed rGO-Ca:CdSe labels were captured onto the electrode surface via the specific antibody-antigen interaction, the photocurrent intensity could be further enhanced due to the sensitization effect. Under the optimal conditions, the proposed PEC immunosensor shows a linear relationship between photocurrent variation and the logarithm of PSA concentration in the wide range of 5pgmL -1 to 50ngmL -1 with a low detection limit of 2.6pgmL -1 (S/N=3). Moreover, it also presented good stability and acceptable specificity, indicating the potential applications in clinical diagnostics. Copyright © 2017 Elsevier B.V. All rights reserved.

  15. Facile synthesis of CuSe nanoparticles and high-quality single-crystal two-dimensional hexagonal nanoplatelets with tunable near-infrared optical absorption

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Yimin [State Key Laboratory of Silicon Materials, School of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Korolkov, Ilia [Laboratory of Glasses and Ceramics, Institute of Chemistry, CNRS-Université de Rennes I, Campus de Beaulieu, 35042 Rennes Cedex (France); Qiao, Xvsheng [State Key Laboratory of Silicon Materials, School of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Zhang, Xianghua [Laboratory of Glasses and Ceramics, Institute of Chemistry, CNRS-Université de Rennes I, Campus de Beaulieu, 35042 Rennes Cedex (France); Wan, Jun; Fan, Xianping [State Key Laboratory of Silicon Materials, School of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China)

    2016-06-15

    A rapid injection approach is used to synthesize the copper selenide nanoparticles and two-dimensional single crystal nanoplates. This technique excludes the use of toxic or expensive materials, increasing the availability of two-dimensional binary chalcogenide semiconductors. The structure of the nanocrystals has been studied and the possible formation mechanism of the nanoplates has been proposed. The optical absorption showed that the nanoplates demonstrated wide and tuneable absorption band in the visible and near infrared region. These nanoplates could be interesting for converting solar energy and for nanophotonic devices operating in the near infrared. - Graphical abstract: TEM images of the copper selenides nanoparticles and nanoplates synthesized at 180 °C for 0 min, 10 min, 60 min. And the growth mechanism of the copper selenide nanoplates via the “oriented attachment”. Display Omitted - Highlights: • CuSe nanoparticles and nanoplates are synthesized by a rapid injection approach. • CuSe band gap can be widely tuned simply by modifying the synthesized time. • Al{sup 3+} ions have a significant impact on the growth rate of the nanoplates. • Growth mechanism of the CuSe nanoplates is based on the “oriented attachment”.

  16. Syntheses and characterization of thin films of Te{sub 94}Se{sub 6} nanoparticles for semiconducting and optical devices

    Energy Technology Data Exchange (ETDEWEB)

    Salah, Numan, E-mail: nsalah@kau.edu.sa [Center of Nanotechnology, King Abdulaziz University, Jeddah-21589 (Saudi Arabia); Habib, Sami S.; Memic, Adnan [Center of Nanotechnology, King Abdulaziz University, Jeddah-21589 (Saudi Arabia); Alharbi, Najlaa D. [Center of Nanotechnology, King Abdulaziz University, Jeddah-21589 (Saudi Arabia); Sciences Faculty for Girls, King Abdulaziz University, Jeddah-21589 (Saudi Arabia); Babkair, Saeed S. [Center of Nanotechnology, Department of Physics, Faculty of Science, King Abdulaziz University, Jeddah-21589 (Saudi Arabia); Khan, Zishan H. [Department of Applied Sciences and Humanities, Jamia Millia Islamia (Central University), New Delhi-110025 (India)

    2013-03-01

    Thin films of Te{sub 94}Se{sub 6} nanoparticles were synthesized using the physical vapor condensation technique at different argon (Ar) pressures. The samples were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive spectroscopy, absorption spectrum, photoluminescence (PL) and Raman spectroscopy. XRD results show that the as-grown films have a polycrystalline structure. SEM images display uniform nanoparticles in these films where the size increases from ∼ 12 to about 60 nm by decreasing Ar pressure from 667 to 267 Pa. These as-grown thin films were found to have direct band gaps, whose value decreases with increasing particle size. The absorption and extinction coefficients for these films were also investigated. PL emission spectra exhibit three bands peaking at 666, 718 and 760 nm, while Raman spectra displayed three bands located at 123, 143 and 169 cm{sup −1}. No significant changes are observed in positions or intensities of these bands by decreasing the Ar pressure, except that of the last band of PL; where the intensity increases. The obtained results on this Te{sub 94}Se{sub 6} nanomaterial especially its controlled direct bandgap might be useful for development of optical disks and other semiconducting devices. - Highlights: ► Thin films of Te{sub 94}Se{sub 6} nanoparticles were grown at different argon (Ar) pressures. ► Size of the nanoparticles increased by decreasing Ar pressure. ► They have direct band gap, whose value decreases by increasing the particle size. ► These nanomaterials might be useful for development of semiconducting devices.

  17. Microwave-assisted synthesis of CuInSe{sub 2} nanoparticles in low-absorbing solvents

    Energy Technology Data Exchange (ETDEWEB)

    Oleksak, Richard P.; Flynn, Brendan T.; Herman, Gregory S. [School of Chemical, Biological and Environmental Engineering, Oregon State University, Corvallis, OR (United States); Schut, David M. [Voxtel Inc., Eugene, OR (United States)

    2014-01-15

    Copper indium diselenide (CIS) nanoparticles were synthesized using a microwave-assisted one-pot solvothermal approach. For these studies high microwave-absorbing precursors were used in combination with low microwave absorbing solvents tri-n-octylphosphine (TOP) and oleic acid (OA) to investigate the effect of selective heating of the precursors on nanoparticle synthesis. High-resolution transmission electron microscopy (TEM) results indicated that the nanoparticles were spherical, crystalline and 4-5 nm in diameter. X-ray diffraction (XRD) results indicated that the nanoparticles had a body-centered tetragonal structure with planar defects that decreased in concentration with increasing reaction temperature and reaction time. The nanoparticle compositions varied depending on the reaction conditions and the compositions were found to approach stoichiometry for increased reaction times. Fourier transform infrared (FTIR) spectroscopy indicated both solvents adsorbed to the nanoparticle surface and energy dispersive spectroscopy indicated that these ligands became chlorinated during the reaction. The uniform temperature profile offered by the microwave heating allowed for highly reproducible batch-to-batch reactions, allowing for tight control over composition and defect concentration. (copyright 2014 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  18. Spectroscopic studies of dynamically compacted monoclinic ZrO2

    NARCIS (Netherlands)

    Maczka, M.; Lutz, E.T.G.; Verbeek, H.J.; Oskam, K.; Meijerink, A.; Hanuza, J.; Stuivinga, M.E.C.

    1999-01-01

    The properties of dynamically compacted monoclinic zirconia have been studied by X-ray powder diffraction, IR, Raman, EPR and luminescence spectroscopy. Compaction introduces a large number of defects into the sample, which leads to a broadening of the X-ray lines, and IR and Raman bands. Besides,

  19. A rapid and universal bacteria-counting approach using CdSe/ZnS/SiO2 composite nanoparticles as fluorescence probe.

    Science.gov (United States)

    Fu, Xin; Huang, Kelong; Liu, Suqin

    2010-02-01

    In this paper, a rapid, simple, and sensitive method was described for detection of the total bacterial count using SiO(2)-coated CdSe/ZnS quantum dots (QDs) as a fluorescence marker that covalently coupled with bacteria using glutaraldehyde as the crosslinker. Highly luminescent CdSe/ZnS were prepared by applying cadmium oxide and zinc stearate as precursors instead of pyrophoric organometallic precursors. A reverse-microemulsion technique was used to synthesize CdSe/ZnS/SiO(2) composite nanoparticles with a SiO(2) surface coating. Our results showed that CdSe/ZnS/SiO(2) composite nanoparticles prepared with this method possessed highly luminescent, biologically functional, and monodispersive characteristics, and could successfully be covalently conjugated with the bacteria. As a demonstration, it was found that the method had higher sensitivity and could count bacteria in 3 x 10(2) CFU/mL, lower than the conventional plate counting and organic dye-based method. A linear relationship of the fluorescence peak intensity (Y) and the total bacterial count (X) was established in the range of 3 x 10(2)-10(7) CFU/mL using the equation Y = 374.82X-938.27 (R = 0.99574). The results of the determination for the total count of bacteria in seven real samples were identical with the conventional plate count method, and the standard deviation was satisfactory.

  20. Enhanced photocatalytic reduction of CO2 to methanol by ZnO nanoparticles deposited on ZnSe nanosheet

    Science.gov (United States)

    Zhang, Shuangfang; Yin, Xiaohong; Zheng, Yinan

    2018-02-01

    In this work ZnO/ZnSe composites were successfully synthesized via solvothermal method and characterized by a series of experiments for investigating into their compositions, morphologies, microstructures and the activities of photocatalytic reduction of CO2. The methanol rates of bare ZnO and ZnSe respectively were 763.9 μmol/gcat/h and 503.88 μmol/gcat/h. However, the sample of 3 wt% ZnO/ZnSe performed better photocatalytic activity up 1581.82 μmol/gcat/h compared to bare ZnO and ZnSe. In the as-prepared photocatalyst the nanosheet of ZnSe benefited the light harvest; suitable deposition of ZnO on the ZnSe nanosheet constructed a type II heterojunction for transferring the photo-generated electron to reduce CO2.

  1. Effects of processing parameters on the morphology, structure, and magnetic properties of Cu{sub 1−x}Fe{sub x}Cr{sub 2}Se{sub 4} nanoparticles synthesized with chemical methods

    Energy Technology Data Exchange (ETDEWEB)

    Ivantsov, R.D. [Kirensky Institute of Physics, Russian Academy of Sciences, Krasnoyarsk, 660036 (Russian Federation); Edelman, I.S., E-mail: ise@iph.krasn.ru [Kirensky Institute of Physics, Russian Academy of Sciences, Krasnoyarsk, 660036 (Russian Federation); Zharkov, S.M.; Velikanov, D.A. [Kirensky Institute of Physics, Russian Academy of Sciences, Krasnoyarsk, 660036 (Russian Federation); Siberian Federal University, Krasnoyarsk, 660041 (Russian Federation); Petrov, D.A. [Kirensky Institute of Physics, Russian Academy of Sciences, Krasnoyarsk, 660036 (Russian Federation); Ovchinnikov, S.G. [Kirensky Institute of Physics, Russian Academy of Sciences, Krasnoyarsk, 660036 (Russian Federation); Siberian Federal University, Krasnoyarsk, 660041 (Russian Federation); Lin, Chun-Rong [National Pingtung University, Pingtung City, Pingtung County, 90003, Taiwan (China); Li, Oksana [Siberian Federal University, Krasnoyarsk, 660041 (Russian Federation); National Pingtung University, Pingtung City, Pingtung County, 90003, Taiwan (China); Tseng, Yaw-Teng [National Pingtung University, Pingtung City, Pingtung County, 90003, Taiwan (China)

    2015-11-25

    Cu{sub 1−x}Fe{sub x}Cr{sub 2}Se{sub 4} nanoparticles with x = 0, 0.2, and 0.4 were synthesized via thermal decomposition of metal nitrate or chloride salts and selenium powder using different precursor compositions and processing details. Single crystalline nano-belts or nano-rods coexist in the synthesized powder samples with hexagon-shaped plates in dependence on the precursor composition. The belts gathered into conglomerates forming “hierarchical” particles. Visible magnetic circular dichroism (MCD) of Cu{sub 1−x}Fe{sub x}Cr{sub 2}Se{sub 4} nanoparticles embedded into a transparent matrix was investigated for the first time. The similarity of the MCD spectra of all samples showed the similarity of the nanoparticles electronic structure independent of their morphology. Basing on the MCD spectral maxima characteristics, electron transitions from the ground to the excited states were identified with the help of the conventional band theory and the multi-electron approach. - Highlights: • Single crystalline Cu{sub 1−x}Fe{sub x}Cr{sub 2}Se{sub 4} nanoparticles with x = 0, 0.2, 0.4 were synthesized. • Correlation between synthesis conditions and nanoparticles morphology were obtained. • The nanoparticles magnetization behavior was studied. • Visible MCD of the Cu{sub 1−x}Fe{sub x}Cr{sub 2}Se{sub 4} nanoparticles were studied for the first time.

  2. Sodium selenite/selenium nanoparticles (SeNPs) protect cardiomyoblasts and zebrafish embryos against ethanol induced oxidative stress.

    Science.gov (United States)

    Kalishwaralal, Kalimuthu; Jeyabharathi, Subhaschandrabose; Sundar, Krishnan; Muthukumaran, Azhaguchamy

    2015-10-01

    Alcoholic cardiomyopathy is the damage caused to the heart muscles due to high level of alcohol consumption resulting in enlargement and inflammation of the heart. Selenium is an important trace element that is beneficial to human health. Selenium protects the cells by preventing the formation of free radicals in the body. In the present study, protein mediated synthesis of SeNPs was investigated. Two different sizes of SeNPs were synthesized using BSA and keratin. The synthesized SeNPs were characterized by scanning electron microscopy (SEM) with elemental composition analysis Energy Dispersive X-ray spectroscopy(EDX) and X-ray diffraction (XRD). This study demonstrates the in vitro and in vivo antioxidative effects of sodium selenite and SeNPs. Further selenium and SeNPs were evaluated for their ability to protect against 1% ethanol induced oxidative stress in H9C2 cell line. The selenium and SeNPs were found to reduce the 1% ethanol-induced oxidative damage through scavenging intracellular reactive oxygen species. The selenium and SeNPs could also prevent pericardial edema induced ethanol treatment and reduced apoptosis and cell death in zebrafish embryos. The results indicate that selenium and SeNPs could potentially be used as an additive in alcoholic beverage industry to control the cardiomyopathy. Copyright © 2015 Elsevier GmbH. All rights reserved.

  3. Cu₂-xSe@mSiO₂-PEG core-shell nanoparticles: a low-toxic and efficient difunctional nanoplatform for chemo-photothermal therapy under near infrared light radiation with a safe power density.

    Science.gov (United States)

    Liu, Xijian; Wang, Qian; Li, Chun; Zou, Rujia; Li, Bo; Song, Guosheng; Xu, Kaibing; Zheng, Yun; Hu, Junqing

    2014-04-21

    A low-toxic difunctional nanoplatform integrating both photothermal therapy and chemotherapy for killing cancer cells using Cu₂-xSe@mSiO₂-PEG core-shell nanoparticles is reported. Silica coating and further PEG modification improve the hydrophilicity and biocompatibility of copper selenide nanoparticles. As-prepared Cu₂-xSe@mSiO₂-PEG nanoparticles not only display strong near infrared (NIR) region absorption and good photothermal effect, but also exhibit excellent biocompatibility. The mesoporous silica shell is provided as the carrier for loading the anticancer drug, doxorubicin (DOX). Moreover, the release of DOX from Cu₂-xSe@mSiO₂-PEG core-shell nanoparticles can be triggered by pH and NIR light, resulting in a synergistic effect for killing cancer cells. Importantly, the combination of photothermal therapy and chemotherapy driven by NIR radiation with safe power density significantly improves the therapeutic efficacy, and demonstrates better therapeutic effects for cancer treatment than individual therapy.

  4. Mn2+-ZnSe/ZnS@SiO2 Nanoparticles for Turn-on Luminescence Thiol Detection

    Directory of Open Access Journals (Sweden)

    Mohammad S. Yazdanparast

    2017-08-01

    Full Text Available Biological thiols are antioxidants essential for the prevention of disease. For example, low levels of the tripeptide glutathione are associated with heart disease, cancer, and dementia. Mn2+-doped wide bandgap semiconductor nanocrystals exhibit luminescence and magnetic properties that make them attractive for bimodal imaging. We found that these nanocrystals and silica-encapsulated nanoparticle derivatives exhibit enhanced luminescence in the presence of thiols in both organic solvent and aqueous solution. The key to using these nanocrystals as sensors is control over their surfaces. The addition of a ZnS barrier layer or shell produces more stable nanocrystals that are isolated from their surroundings, and luminescence enhancement is only observed with thinner, intermediate shells. Tunability is demonstrated with dodecanethiol and sensitivities decrease with thin, medium, and thick shells. Turn-on nanoprobe luminescence is also generated by several biological thiols, including glutathione, N-acetylcysteine, cysteine, and dithiothreitol. Nanoparticles prepared with different ZnS shell thicknesses demonstrated varying sensitivity to glutathione, which allows for the tuning of particle sensitivity without optimization. The small photoluminescence response to control amino acids and salts indicates selectivity for thiols. Preliminary magnetic measurements highlight the challenge of optimizing sensors for different imaging modalities. In this work, we assess the prospects of using these nanoparticles as luminescent turn-on thiol sensors and for MRI.

  5. Luminescence of polyethylene glycol coated CdSeTe/ZnS and InP/ZnS nanoparticles in the presence of copper cations.

    Science.gov (United States)

    Beaune, Grégory; Tamang, Sudarsan; Bernardin, Aude; Bayle-Guillemaud, Pascale; Fenel, Daphna; Schoehn, Guy; Vinet, Françoise; Reiss, Peter; Texier, Isabelle

    2011-08-22

    The use of click chemistry for quantum dot (QD) functionalization could be very promising for the development of bioconjugates dedicated to in vivo applications. Alkyne-azide ligation usually requires copper(I) catalysis. The luminescence response of CdSeTe/ZnS nanoparticles coated with polyethylene glycol (PEG) is studied in the presence of copper cations, and compared to that of InP/ZnS QDs coated with mercaptoundecanoic acid (MUA). The quenching mechanisms appear different. Luminescence quenching occurs without any wavelength shift in the absorption and emission spectra for the CdSeTe/ZnS/PEG nanocrystals. In this case, the presence of copper in the ZnS shell is evidenced by energy-filtered transmission electron microscopy (EF-TEM). By contrast, in the case of InP/ZnS/MUA nanocrystals, a redshift of the excitation and emission spectra, accompanied by an increase in absorbance and a decrease in photoluminescence, is observed. For CdSeTe/ZnS/PEG nanocrystals, PL quenching is enhanced for QDs with 1) smaller inorganic-core diameter, 2) thinner PEG shell, and 3) hydroxyl terminal groups. Whereas copper-induced PL quenching can be interesting for the design of sensitive cation sensors, copper-free click reactions should be used for the efficient functionalization of nanocrystals dedicated to bioapplications, in order to achieve highly luminescent QD bioconjugates. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Phosphonic acids aid composition adjustment in the synthesis of Cu{sub 2+x}Zn{sub 1−x}SnSe{sub 4−y} nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Ibáñez, Maria; Berestok, Taisiia; Dobrozhan, Oleksandr [Catalonia Institute for Energy Research (IREC) (Spain); LaLonde, Aaron [California Institute of Technology, Materials Science (United States); Izquierdo-Roca, Victor; Shavel, Alexey; Pérez-Rodríguez, Alejandro [Catalonia Institute for Energy Research (IREC) (Spain); Snyder, G. Jeffrey [California Institute of Technology, Materials Science (United States); Cabot, Andreu, E-mail: acabot@irec.cat [Catalonia Institute for Energy Research (IREC) (Spain)

    2016-08-15

    The functional properties of quaternary I{sub 2}–II–IV–VI{sub 4} nanomaterials, with potential interest in various technological fields, are highly sensitive to compositional variations, which is a challenging parameter to adjust. Here we demonstrate the presence of phosphonic acids to aid controlling the reactivity of the II element monomer to be incorporated in quaternary Cu{sub 2}ZnSnSe{sub 4} nanoparticles and thus to provide a more reliable way to adjust the final nanoparticle metal ratios. Furthermore, we demonstrate the composition control in such multivalence nanoparticles to allow modifying charge carrier concentrations in nanomaterials produced from the assembly of these building blocks.

  7. PEG-phospholipid-encapsulated bismuth sulfide and CdSe/ZnS quantum dot core–shell nanoparticle and its computed tomography/fluorescence performance

    International Nuclear Information System (INIS)

    Chen, Jun; Yang, Xiao-Quan; Qin, Meng-Yao; Zhang, Xiao-Shuai; Xuan, Yang; Zhao, Yuan-Di

    2015-01-01

    In this paper, polyethylene glycol-phospholipid structure is used to synthesize hybrid cluster of 40–50 nm diameter that contains hydrophobic bismuth sulfide nanoparticles and CdSe/ZnS quantum dots. The composite probe’s toxicity, CT imaging, and fluorescence imaging performance are also studied. Experimental results show that the nanocomposite hybrid cluster has obvious CT contrast enhancement and fluorescence imaging capability in vitro even after cellular uptake. It gives a CT number of 700 (Hounsfield units) at 15 mg/mL, higher than that of the current iobitridol CT contrast agent. 3-(4,5-dimethyl-2-thiazolyl)-2,5-diphenyl-2-H-tetrazolium bromide experiment reveals that it has low cytotoxicity at concentration up to of 3.14 mg/mL of Bi, indicating the composite probe has potential ability for CT and fluorescence bimodal imaging

  8. Cu2ZnSn(S,Se)4 from CuxSnSy nanoparticle precursors on ZnO nanorod arrays

    International Nuclear Information System (INIS)

    Kavalakkatt, Jaison; Lin, Xianzhong; Kornhuber, Kai; Kusch, Patryk; Ennaoui, Ahmed; Reich, Stephanie; Lux-Steiner, Martha Ch.

    2013-01-01

    Solar cells with Cu 2 ZnSnS 4 absorber thin films have a potential for high energy conversion efficiencies with earth-abundant and non-toxic elements. In this work the formation of CZTSSe from Cu x SnS y nanoparticles (NPs) deposited on ZnO nanorod (NR) arrays as precursors for zinc is investigated. The NPs are prepared using a chemical route and are dispersed in toluene. The ZnO NRs are grown on fluorine doped SnO 2 coated glass substrates by electro deposition method. A series of samples are annealed at different temperatures between 300 °C and 550 °C in selenium containing argon atmosphere. To investigate the products of the reaction between the precursors the series is analyzed by means of X-ray diffraction (XRD) and Raman spectroscopy. The morphology is recorded by scanning electron microscopy (SEM) images of broken cross sections. The XRD measurements and the SEM images show the disappearing of ZnO NRs with increasing annealing temperature. Simultaneously the XRD and Raman measurements show the formation of CZTSSe. The formation of secondary phases and the optimum conditions for the preparation of CZTSSe is discussed. - Highlights: ► Cu x SnS y nanoparticles are deposited on ZnO nanorod arrays. ► Samples are annealed at different temperatures (300–550 °C) in Se/Ar-atmosphere. ► Raman spectroscopy, X-ray diffraction and electron microscopy are performed. ► ZnO disappears with increasing annealing temperature. ► With increasing temperature Cu x SnS y and ZnO form Cu 2 ZnSn(S,Se) 4

  9. Aqueous-Phase Acetic Acid Ketonization over Monoclinic Zirconia

    Energy Technology Data Exchange (ETDEWEB)

    Cai, Qiuxia [Institute for Integrated Catalysis, Pacific Northwest; College; Lopez-Ruiz, Juan A. [Institute for Integrated Catalysis, Pacific Northwest; Cooper, Alan R. [Institute for Integrated Catalysis, Pacific Northwest; Wang, Jian-guo [College; Albrecht, Karl O. [Institute for Integrated Catalysis, Pacific Northwest; Mei, Donghai [Institute for Integrated Catalysis, Pacific Northwest

    2017-12-13

    The effect of aqueous phase on the acetic acid ketonization over monoclinic zirconia has been investigated using first-principles based density functional theory (DFT) calculations. To capture the aqueous phase chemistry over the solid zirconia catalyst surface, the aqueous phase is represented by 111 explicit water molecules with a liquid water density of 0.93 g/cm3 and the monoclinic zirconia is modeled by the most stable surface structure . The dynamic nature of aqueous phase/ interface was studied using ab initio molecular dynamics simulation, indicating that nearly half of the surface Zr sites are occupied by either adsorbed water molecules or hydroxyl groups at 550 K. DFT calculations show that the adsorption process of acetic acid from the liquid water phase to the surface is nearly thermodynamically neutral with a Gibbs free energy of -2.3 kJ/mol although the adsorption strength of acetic acid on the surface in aqueous phase is much stronger than in vapor phase. Therefore it is expected that the adsorption of acetic acid will dramatically affects aqueous phase ketonization reactivity over the monoclinic zirconia catalyst. Using the same ketonization mechanism via the β-keto acid intermediate, we have compared acetic acid ketonization to acetone in both vapor and aqueous phases. Our DFT calculation results show although the rate-determining step of the β-keto acid formation via the C-C coupling is not pronouncedly affected, the presence of liquid water molecules will dramatically affect dehydrogenation and hydrogenation steps via proton transfer mechanism. This work was financially supported by the United States Department of Energy (DOE)’s Bioenergy Technologies Office (BETO) and performed at the Pacific Northwest National Laboratory (PNNL). PNNL is a multi-program national laboratory operated for DOE by Battelle Memorial Institute. Computing time and advanced catalyst characterization use was granted by a user proposal at the William R. Wiley

  10. Hydroxyapatite: Vibrational spectra and monoclinic to hexagonal phase transition

    Science.gov (United States)

    Slepko, Alexander; Demkov, Alexander A.

    2015-02-01

    Fundamental studies of biomaterials are necessary to deepen our understanding of their degradation and to develop cure for related illnesses. Biomineral hydroxyapatite Ca10(PO4)6(OH)2 is the main mineral constituent of mammal bone, and its synthetic analogues are used in biomedical applications. The mineral can be found in either hexagonal or monoclinic form. The transformation between these two phases is poorly understood, but knowing its mechanism may be critical to reversing processes in bone related to aging. Using density functional theory, we investigate the mechanisms of the phase transformation and estimate the transition temperature to be 680 K in fair agreement with the experimental temperature of 470 K. We also report the heat capacity of hydroxyapatite and a peculiarity in its phonon dispersion that might allow for non-destructive measurements of the crystal composition with applications in preventive medical screening for bone mineral loss.

  11. Ceramic fiber-reinforced monoclinic celsian phase glass-ceramic matrix composite material

    Science.gov (United States)

    Bansal, Narottam P. (Inventor); Dicarlo, James A. (Inventor)

    1994-01-01

    A hyridopolysilazane-derived ceramic fiber reinforced monoclinic celsian phase barium aluminum silicate glass-ceramic matrix composite material is prepared by ball-milling an aqueous slurry of BAS glass powder and fine monoclinic celsian seeds. The fibers improve the mechanical strength and fracture toughness and with the matrix provide superior dielectric properties.

  12. Reflection of P and SV waves at the free surface of a monoclinic ...

    Indian Academy of Sciences (India)

    R.Narasimhan(krishtel emaging)1461 1996 Oct 15 13:05:22

    The propagation of plane waves in an anisotropic elastic medium possessing monoclinic symmetry is discussed. The expressions for ... Keywords. Anisotropic medium; elastic waves; monoclinic half-space; reflection coefficients. Proc. Indian Acad. Sci. ...... In contrast, for C < 0, the angle of reflec- tion is less than the angle of ...

  13. Synthesis of monoclinic potassium niobate nanowires that are stable at room temperature.

    Science.gov (United States)

    Kim, Seungwook; Lee, Ju-Hyuck; Lee, Jaeyeon; Kim, Sang-Woo; Kim, Myung Hwa; Park, Sungnam; Chung, Haegeun; Kim, Yong-Il; Kim, Woong

    2013-01-09

    We report the synthesis of KNbO(3) nanowires (NWs) with a monoclinic phase, a phase not observed in bulk KNbO(3) materials. The monoclinic NWs can be synthesized via a hydrothermal method using metallic Nb as a precursor. The NWs are metastable, and thermal treatment at ∼450 °C changed the monoclinic phase into the orthorhombic phase, which is the most stable phase of KNbO(3) at room temperature. Furthermore, we fabricated energy-harvesting nanogenerators by vertically aligning the NWs on SrTiO(3) substrates. The monoclinic NWs showed significantly better energy conversion characteristics than orthorhombic NWs. Moreover, the frequency-doubling efficiency of the monoclinic NWs was ∼3 times higher than that of orthorhombic NWs. This work may contribute to the synthesis of materials with new crystalline structures and hence improve the properties of the materials for various applications.

  14. Electron diffraction and resistivity measurements on the one-dimensional orthorhombic and monoclinic structures of TaS3

    International Nuclear Information System (INIS)

    Roucau, C.; Ayroles, R.; Monceau, P.

    1980-01-01

    Electron diffraction patterns are obtained of the orthorhombic and monoclinic structures of TaS 3 . For the orthorhombic structure one set of superlattice spots is observed at (l+-0.5)a*, (m+-0.125)b*, (n+-0.25)c* below 210 K. For the monoclinic structure two sets of superlattice spots are observed, the first one at la*, (m+-0.253)b*, nc* below 240 K, the second one at (l+-0.5)a*, (m+-0.245)b*, (n+-0.5)c* below 160 K. Diffuse scattering lines are present for the two structures. Resistivity measurements are performed on crystals with the two structures which show strong increase of the resistivity indicating metal-semiconducting transitions at the same temperatures where the superlattice spots appear. These transitions are interpreted as successive Peierls transitions on the different types of chains of TaS 3 . Also electron diffraction patterns are shown of NbSe 3 at very low temperatures where the two charge density waves that occur at 145 and 59 K are formed. A comparison is given between TaS 3 and NbSe 3 . (author)

  15. Photo-, thermo- and optically stimulated luminescence of monoclinic zirconia

    Energy Technology Data Exchange (ETDEWEB)

    Kiisk, Valter, E-mail: valter.kiisk@ut.ee [Institute of Physics, University of Tartu, Ravila 14c, 50411 Tartu (Estonia); Puust, Laurits; Utt, Kathriin; Maaroos, Aarne; Mändar, Hugo [Institute of Physics, University of Tartu, Ravila 14c, 50411 Tartu (Estonia); Viviani, Erica; Piccinelli, Fabio [Department of Biotechnology, University of Verona, Strada Le Grazie 15, 37134 Verona (Italy); Saar, Rando; Joost, Urmas; Sildos, Ilmo [Institute of Physics, University of Tartu, Ravila 14c, 50411 Tartu (Estonia)

    2016-06-15

    We carried out a careful photoluminescence (PL) and thermoluminescence (TL) characterization of nominally pure monoclinic ZrO{sub 2} nanopowders subject to oxidative vs reductive annealing (up to 1450 °C). The two kinds of studied zirconia (sol-gel-prepared vs commercial powder) exhibited virtually identical 490 nm PL emission band and 280 nm PL excitation band with slight, but clearly detectable variations in the spectral shape. The TL glow peaks, recorded over the temperature range −100 to 300 °C, showed an interplay depending on the type and treatment of sample. There is a strong evidence that the −35 and 205 °C glow peaks are due to oxygen vacancies whereas the 5 °C glow peak may relate to oxygen interstitials and the 110 °C glow peak to surface defects. Although a number of distinct glow peaks emerge, the material still seems to contain a quasi-continuous distribution of trap depths. In comparison to TL, we also demonstrate effective optically stimulated luminescence (OSL) from this polymorph of ZrO{sub 2} under red and NIR illumination at ~1 W/cm{sup 2}. All traps responsible for the principal TL peaks were also found to be OSL-active, which widens the applied importance of the material.

  16. nanoparticles

    Science.gov (United States)

    Andreu-Cabedo, Patricia; Mondragon, Rosa; Hernandez, Leonor; Martinez-Cuenca, Raul; Cabedo, Luis; Julia, J. Enrique

    2014-10-01

    Thermal energy storage (TES) is extremely important in concentrated solar power (CSP) plants since it represents the main difference and advantage of CSP plants with respect to other renewable energy sources such as wind, photovoltaic, etc. CSP represents a low-carbon emission renewable source of energy, and TES allows CSP plants to have energy availability and dispatchability using available industrial technologies. Molten salts are used in CSP plants as a TES material because of their high operational temperature and stability of up to 500°C. Their main drawbacks are their relative poor thermal properties and energy storage density. A simple cost-effective way to improve thermal properties of fluids is to dope them with nanoparticles, thus obtaining the so-called salt-based nanofluids. In this work, solar salt used in CSP plants (60% NaNO3 + 40% KNO3) was doped with silica nanoparticles at different solid mass concentrations (from 0.5% to 2%). Specific heat was measured by means of differential scanning calorimetry (DSC). A maximum increase of 25.03% was found at an optimal concentration of 1 wt.% of nanoparticles. The size distribution of nanoparticle clusters present in the salt at each concentration was evaluated by means of scanning electron microscopy (SEM) and image processing, as well as by means of dynamic light scattering (DLS). The cluster size and the specific surface available depended on the solid content, and a relationship between the specific heat increment and the available particle surface area was obtained. It was proved that the mechanism involved in the specific heat increment is based on a surface phenomenon. Stability of samples was tested for several thermal cycles and thermogravimetric analysis at high temperature was carried out, the samples being stable.

  17. In situ TEM observation of the growth and decomposition of monoclinic W18O49 nanowires

    International Nuclear Information System (INIS)

    Chen, C L; Mori, H

    2009-01-01

    The growth of monoclinic W 18 O 49 nanowires by heat treatment of a tungsten filament at ∼873 K and the decomposition of these nanowires under 200 keV electron irradiation at ∼1023 K have been investigated using in situ transmission electron microscopy (TEM). In situ TEM observation of the growth confirmed the vapor-solid growth mechanism of the monoclinic W 18 O 49 nanowires. In situ irradiation experiments revealed the formation of metallic bcc tungsten from monoclinic W 18 O 49 nanowires under 200 keV electron irradiation.

  18. Phase coexistence in ferroelectric solid solutions: Formation of monoclinic phase with enhanced piezoelectricity

    Directory of Open Access Journals (Sweden)

    Xiaoyan Lu

    2016-10-01

    Full Text Available Phase morphology and corresponding piezoelectricity in ferroelectric solid solutions were studied by using a phenomenological theory with the consideration of phase coexistence. Results have shown that phases with similar energy potentials can coexist, thus induce interfacial stresses which lead to the formation of adaptive monoclinic phases. A new tetragonal-like monoclinic to rhombohedral-like monoclinic phase transition was predicted in a shear stress state. Enhanced piezoelectricity can be achieved by manipulating the stress state close to a critical stress field. Phase coexistence is universal in ferroelectric solid solutions and may provide a way to optimize ultra-fine structures and proper stress states to achieve ultrahigh piezoelectricity.

  19. Monoclinic BiVO{sub 4} micro-/nanostructures: Microwave and ultrasonic wave combined synthesis and their visible-light photocatalytic activities

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Yafang; Li, Guangfang; Yang, Xiaohui; Yang, Hao; Lu, Zhong [Key Laboratory for Green Chemical Process of Ministry of Education and Hubei Novel Reactor and Green Chemical Technology Key Laboratory, Wuhan Institute of Technology, Xiongchu Avenue, Wuhan 430073 (China); Chen, Rong, E-mail: rchenhku@hotmail.com [Key Laboratory for Green Chemical Process of Ministry of Education and Hubei Novel Reactor and Green Chemical Technology Key Laboratory, Wuhan Institute of Technology, Xiongchu Avenue, Wuhan 430073 (China); Engineering Research Center of Nano-Geomaterials of Ministry of Education, China University of Geosciences, Lumo Road, Wuhan 430074 (China)

    2013-02-25

    Graphical abstract: Monoclinic BiVO{sub 4} with different sizes and morphologies were synthesized by a facile microwave and ultrasonic wave combined technique for the first time and exhibited different optical properties and visible-light-driven photocatalytic efficiency. Highlights: Black-Right-Pointing-Pointer BiVO{sub 4} nanostructures were prepared by microwave and ultrasonic wave combined method. Black-Right-Pointing-Pointer BiVO{sub 4} nanostructures could be modulated by varying the solvent and pH value. Black-Right-Pointing-Pointer Different BiVO{sub 4} nanostructures exhibited different photocatalytic activities. Black-Right-Pointing-Pointer The photocatalytic performance was influenced by the band gap, phase and size. - Abstract: Monoclinic bismuth vanadate (m-BiVO{sub 4}) micro-/nanostructures with different sizes and morphologies were successfully prepared via a facile and rapid microwave and ultrasonic wave combined technique. The obtained BiVO{sub 4} products were characterized by powder X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDX), transmission electron microscopy (TEM) and UV-vis diffuse reflection spectroscopy (DRS). It was found that the solvent and pH value had a significant influence on morphology, size and crystalline structure of the product. Nut-like, potato-like and broccoli-like monoclinic BiVO{sub 4} were fabricated in different solvents. The crystal phase could be modulated by varying the pH value of reaction system. The photocatalytic activities of the products were also evaluated by the degradation of Rhodamine B (RhB) under visible light irradiation. The result revealed that the photocatalytic activities of BiVO{sub 4} nanostructures were closely related to the crystalline phase, band gap and particle size. Monoclinic BiVO{sub 4} nanoparticles with small crystal size and large band gap exhibited remarkable photocatalytic performance.

  20. Monoclinic BiVO4 micro-/nanostructures: Microwave and ultrasonic wave combined synthesis and their visible-light photocatalytic activities

    International Nuclear Information System (INIS)

    Zhang, Yafang; Li, Guangfang; Yang, Xiaohui; Yang, Hao; Lu, Zhong; Chen, Rong

    2013-01-01

    Graphical abstract: Monoclinic BiVO 4 with different sizes and morphologies were synthesized by a facile microwave and ultrasonic wave combined technique for the first time and exhibited different optical properties and visible-light-driven photocatalytic efficiency. Highlights: ► BiVO 4 nanostructures were prepared by microwave and ultrasonic wave combined method. ► BiVO 4 nanostructures could be modulated by varying the solvent and pH value. ► Different BiVO 4 nanostructures exhibited different photocatalytic activities. ► The photocatalytic performance was influenced by the band gap, phase and size. - Abstract: Monoclinic bismuth vanadate (m-BiVO 4 ) micro-/nanostructures with different sizes and morphologies were successfully prepared via a facile and rapid microwave and ultrasonic wave combined technique. The obtained BiVO 4 products were characterized by powder X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDX), transmission electron microscopy (TEM) and UV–vis diffuse reflection spectroscopy (DRS). It was found that the solvent and pH value had a significant influence on morphology, size and crystalline structure of the product. Nut-like, potato-like and broccoli-like monoclinic BiVO 4 were fabricated in different solvents. The crystal phase could be modulated by varying the pH value of reaction system. The photocatalytic activities of the products were also evaluated by the degradation of Rhodamine B (RhB) under visible light irradiation. The result revealed that the photocatalytic activities of BiVO 4 nanostructures were closely related to the crystalline phase, band gap and particle size. Monoclinic BiVO 4 nanoparticles with small crystal size and large band gap exhibited remarkable photocatalytic performance.

  1. Synthesis of metals chalcogenides nano-particles from H{sub 2}X (X=S, Se, Te) produced electrochemically; Synthese de nanoparticules de chalcogenures de metaux a partir de H{sub 2}X (X=S, Se, Te) produit electrochimiquement

    Energy Technology Data Exchange (ETDEWEB)

    Bastide, S.; Tena-Zaera, R.; Alleno, E.; Godart, C.; Levy-Clement, C. [Centre National de la Recherche Scientifique (CNRS), Lab. de Chimie Metallurgique des Terres Rares, 94 - Thiais (France); Hodes, G. [Weizmann Institute of Science, Rehovot (Israel)

    2006-07-01

    In this work, an electrochemical method to produce H{sub 2}X (X=S, Se, Te) hydrides in a controlled way (without being able to store them) and to transfer them directly in the synthesis reactor has been perfected. By this method, the use of H{sub 2}Te has been possible. The method uses the reduction of the elementary chalcogenide in acid medium. The Te being conductor, it can be directly used as electrode, on the other hand S and Se are insulators. Nevertheless, graphite-S or Se conducing composite electrodes can also be used. When the electrolyte composition (pH, salts presence) is well adjusted, the essential of the cathodic current is consumed by the chalcogenide reduction (low evolution of H{sub 2}) with faradic yields of about 100% for H{sub 2}S and H{sub 2}Se and 40% for HeTe. The use of H{sub 2}X allows the synthesis of nano-particles of metals chalcogenides directly by reaction with dissolved metallic salts in aqueous or organic medium and precipitation. Thus it has been possible to prepare all the CdX compounds under the form of nano-particles of diameter between 3 and 5 nm by bubbling of the gaseous hydrides in aqueous acetate solutions of Cd. In producing concomitantly H{sub 2}S and H{sub 2}Se, nano-particles of solid solutions CdS{sub x}Se{sub 1-x} have been synthesized too. (O.M.)

  2. The Formation Mechanism of Cu(In0.7Ga0.3Se2 Nanoparticles and the Densification Trajectory of the Se-Rich Quaternary Target by Hot Pressing

    Directory of Open Access Journals (Sweden)

    Qiang Ma

    2018-03-01

    Full Text Available In this paper, a method to obtain the CuInGaSe2 (CIGS absorber layer with an appropriate selenium content is put forward, in which a Se-rich target is used to deposit a CIGS thin-film and this film is annealed in a Se-free inert atmosphere. The key issue of this method is the preparation of a Se-rich target with a homogeneous composition and a high-density. The formation mechanism of CuInSe2 and CuGaSe2 is investigated and the results point to the intermediate phase Cu2−xSe playing a role of a nucleation core. The sintering densification trajectory of the target with the addition of extra selenium is researched. Additionally, an effective way to avoid the sintering defects is proposed. Finally, a conversion efficiency of 11.2% for the CIGS solar cell is reached by sputtering from the obtained Se-rich target.

  3. Nanoparticles

    OpenAIRE

    Penadés, Soledad; Rojo, Javier; Martín-Lomas, Manuel

    2000-01-01

    [ES] Materiales de tipo y métodos para estudiar y modular la interacción de restos con carbohidrato con el distinto son de las especies descrito, particularmente, partículas pequeñas, e.g. grupos de átomos del metal o del semiconductor, que el bote se emplee como sustrato para inmovilizar una pluralidad de ligands comprendiendo los grupos del hidrato de carbono. El bote de estas “nanopartículas” entonces sea utilizado a las interacciones mediadas hidrato de carbono del estudio, e.g. con los d...

  4. Highly luminescent CdSe/ZnSe core-shell quantum dots of one-pot preparation in octadecene

    NARCIS (Netherlands)

    Zeng, Q.; Kong, X.; Zhang, Y.; Zhang, H.

    2008-01-01

    CdSe/ZnSe core-shell quantum dots were synthesized using a new one-pot procedure where the core was prepared in octadecene. A ZnSe shell around a CdSe nanoparticle was formed by the reaction of selenium-richness on the surfaces of CdSe nanoparticles with Zn2+ from the injected zinc stearate

  5. Electron spin resonance in Cu{sub 1−x}Fe{sub x}Cr{sub 2}Se{sub 4} nanoparticles synthesized with the thermal decomposition method

    Energy Technology Data Exchange (ETDEWEB)

    Edelman, I.S., E-mail: ise@iph.krasn.ru [Kirensky Institute of Physics, Federal Research Center KSC, Russian Academy of Sciences, Krasnoyarsk 660036 (Russian Federation); Zharkov, S.M.; Pankrats, A.I. [Kirensky Institute of Physics, Federal Research Center KSC, Russian Academy of Sciences, Krasnoyarsk 660036 (Russian Federation); Siberian Federal University, Krasnoyarsk 660041 (Russian Federation); Vorotynov, A.M.; Tugarinov, V.I.; Ivantsov, R.D.; Petrov, D.A. [Kirensky Institute of Physics, Federal Research Center KSC, Russian Academy of Sciences, Krasnoyarsk 660036 (Russian Federation); Velikanov, D.A. [Kirensky Institute of Physics, Federal Research Center KSC, Russian Academy of Sciences, Krasnoyarsk 660036 (Russian Federation); Siberian Federal University, Krasnoyarsk 660041 (Russian Federation); Lin, Chun-Rong; Chen, Chin-Chang; Tseng, Yaw-Teng; Hsu, Hua-Shu [National Pingtung University, Pingtung City, Pingtung County 90003, Taiwan (China)

    2017-08-15

    Highlights: • Cu{sub 1−x}Fe{sub x}Cr{sub 2}Se{sub 4} nanoparticles were synthesized as (1 1 1) nanocrystalline plates. • Nanoparticles tend to form stacks consisting of plates attached “face to face”. • ESR parameters demonstrate unusual temperature dependences with a kink at 120–130 K. - Abstract: In this paper, we present a study of the electron spin resonance (ESR) of nanoparticles (NPs) of Cu{sub 1−x}Fe{sub x}Cr{sub 2}Se{sub 4} chalcogenides with x = 0, 0.2, and 0.4. NPs were synthesized via the thermal decomposition of metal chloride salts and selenium powder in a high-temperature organic solvent. According to the XRD and HRTEM data, the NPs were single crystalline nearly hexagonal plates with the structure close to CuCr{sub 2}Se{sub 4} (Fd-3m, a = 10.337 Å). For x = 0 and 0.2, the NPs tend to form long stacks consisting of the plates “face to face” attached to each other due to the magnetostatic interparticle interaction. Only separate NPs were observed in the case of x = 0.4. Peculiarities were revealed in the ESR temperature behavior for the NPs with x = 0 and 0.2 consistent with the features in the temperature dependences of the NPs magnetization. The non-monotonous dependence of the resonance field H{sub res} on the temperature with a kink near 130 K and the energy gap in the resonance spectrum depending on the type of nanoparticle compacting are the distinct peculiarities. One of the main factors is discussed in order to explain the peculiarities: the coexistence of two types of anisotropy in the Cu{sub 1−x}Fe{sub x}Cr{sub 2}Se{sub 4} NPs, in-plain shape anisotropy and magnetocrystalline anisotropy with four easy axes, which increases strongly with the temperature decrease.

  6. Study of the cubic - to - monoclinic transformation in magnesia partially stabilized zirconia

    International Nuclear Information System (INIS)

    Muccillo, R.

    1988-01-01

    The transformation of the cubic phase to the stable monoclinic phase in ZrO 2 : 3%MgO quenched from 1450 0 C to RT has been studied by X-ray diffractometry in order to explain the thermal hysteresis in the electrical conductivity. The monoclinic-to-cubic ratio has been measured for samples annealed in the 500 0 C-1000 0 C temperature range. The results show that the decrease in the cubic phase content is the main responsible for the thermal hysteresis in the electrical conductivity of the magnesia partially stabilized zirconia solid electrolytes. (author) [pt

  7. Monoclinic mixed crystals of halogenomethanes CBr4-nCln (n = 0, ..., 4)

    International Nuclear Information System (INIS)

    Negrier, Philippe; Tamarit, Josep Ll.; Barrio, Maria; Pardo, Luis C.; Mondieig, Denise

    2007-01-01

    On the basis of the isostructural relationship between the low-temperature monoclinic (C2/c, Z = 32) phases of the halogenomethane CBr 4-n Cl n (n = 0, ..., 4), a set of mixed crystals has been analysed by means of high-resolution X-ray powder diffraction. It is shown that the monoclinic structure of pure and mixed crystals does not depend of the particularities of the dipolar (or dipole induced) interactions of the pure compound, neither on the composition of the mixed crystal, but on the relative content of the halogen atoms which controls the size of the molecule or the average molecule for the case of mixed crystals

  8. Milligram-per-second femtosecond laser production of Se nanoparticle inks and ink-jet printing of nanophotonic 2D-patterns

    Science.gov (United States)

    Ionin, Andrey; Ivanova, Anastasia; Khmel'nitskii, Roman; Klevkov, Yury; Kudryashov, Sergey; Mel'nik, Nikolay; Nastulyavichus, Alena; Rudenko, Andrey; Saraeva, Irina; Smirnov, Nikita; Zayarny, Dmitry; Baranov, Anatoly; Kirilenko, Demid; Brunkov, Pavel; Shakhmin, Alexander

    2018-04-01

    Milligram-per-second production of selenium nanoparticles in water sols was realized through 7-W, 2 MHz-rate femtosecond laser ablation of a crystalline trigonal selenium pellet. High-yield particle formation mechanism and ultimate mass-removal yield were elucidated by optical profilometry and scanning electron microscopy characterization of the corresponding crater depths and topographies. Deposited selenium particles were inspected by scanning and transmission electron microscopy, while their hydrosols (nanoinks) were characterized by optical transmission, Raman and dynamic light scattering spectroscopy. 2D patterns and coatings were ink-jet printed on thin supported silver films and their bare silica glass substrates, as well as on IR-transparent CaF2 substrates, and characterized by electron microscopy, energy-dispersive x-ray spectroscopy, and broadband (vis-mid IR) transmission spectroscopy, exhibiting crystalline selenium nanoparticles with high refractive index as promising all-dielectric sensing building nanoblocks in nanophotonics.

  9. The coercive force of fine particles of monoclinic pyrrhotite (Fe7S8 ...

    African Journals Online (AJOL)

    The temperature dependence of coercive force (Hc) between 77 K and 600 K has been investigated for fine particles of monoclinic pyrrhotite (Fe7S8) of < 1 mm and 1- 30 mm particle sizes. The study has shown that Hc is strongly dependent on temperature, as temperature rises above room temperature (293 K) to near the ...

  10. Crystallite size effect on the monoclinic deformation of the bcc crystal structure of chromium

    Science.gov (United States)

    Przeniosło, R.; Fabrykiewicz, P.; Sosnowska, I.; Wardecki, D.; Sławiński, W. A.; Playford, H. Y.; Hempelmann, R.; Bukowski, M.

    2018-02-01

    The modulated spin density wave magnetic orderings observed in chromium suggests that the crystal structure of chromium cannot be described by the cubic space group Im 3 bar m. Our experimental studies of polycrystalline and nanocrystalline chromium by synchrotron radiation (SR) and neutron powder diffraction show a hkl-dependent Bragg peak broadening which can be interpreted by the low-symmetry monoclinic space group P21 / n instead of the high symmetry cubic space group Im 3 bar m. The monoclinic angle is βm = 90.05(1)° and 90.29(1)° for polycrystalline Cr and nanocrystalline Cr, respectively. The relative monoclinic distortion observed in chromium is 5 times larger than those reported for several oxides: BiFeO3, α-Fe2O3, Cr2O3 and calcite. The symmetry of the magnetic transverse spin density wave (TSDW) and the longitudinal spin density wave (LSDW) observed in Cr are described by using the superspace groups P21 / n(0 β 0) 00 and P 21‧ /n‧(0 β 0) 00, respectively. These superspace groups describe both the magnetic modulations and the atomic position modulations reported in the literature. The monoclinic symmetry of chromium is a robust effect which is observed in the paramagnetic as well as in the TSDW and LSDW phases.

  11. Reflection of P and SV waves at the free surface of a monoclinic ...

    Indian Academy of Sciences (India)

    The propagation of plane waves in an anisotropic elastic medium possessing monoclinic symmetry is discussed. The expressions for the phase velocity of qP and qSV waves propagating in the plane of elastic symmetry are obtained in terms of the direction cosines of the propagation vector. It is shown that, in general, ...

  12. Crystalline and magnetic ordering in the monoclinic phase of the layered perovskite PAMC

    DEFF Research Database (Denmark)

    Harris, P.; Lebech, B.; Achiwa, N.

    1994-01-01

    A single-crystal elastic neutron scattering experiment between 4.2 and 115 K has been performed on the low-temperature monoclinic zeta phase of the layered perovskite bis(propylammonium) manganesetetrachloride (PAMC). The crystalline structure is commensurately modulated, with a modulation vector...

  13. Possible bicollinear nematic state with monoclinic lattice distortions in iron telluride compounds

    Energy Technology Data Exchange (ETDEWEB)

    Bishop, Christopher B. [Univ. of Tennessee, Knoxville, TN (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Herbrych, Jacek W. [Univ. of Tennessee, Knoxville, TN (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Dagotto, Elbio R. [Univ. of Tennessee, Knoxville, TN (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Moreo, Adriana [Univ. of Tennessee, Knoxville, TN (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2017-07-15

    Here, iron telluride (FeTe) is known to display bicollinear magnetic order at low temperatures together with a monoclinic lattice distortion. Because the bicollinear order can involve two different wave vectors (π/2,π/2) and (π/2,–π/2), symmetry considerations allow for the possible stabilization of a nematic state with short-range bicollinear order coupled to monoclinic lattice distortions at a TS higher than the temperature TN where long-range bicollinear order fully develops. As a concrete example, the three-orbital spin-fermion model for iron telluride is studied with an additional coupling ˜λ12 between the monoclinic lattice strain and an orbital-nematic order parameter with B2g symmetry. Monte Carlo simulations show that with increasing ˜λ12 the first-order transition characteristic of FeTe splits and bicollinear nematicity is stabilized in a (narrow) temperature range. In this new regime, the lattice is monoclinically distorted and short-range spin and orbital order breaks rotational invariance. A discussion of possible realizations of this exotic state is provided.

  14. Static deformation of two welded monoclinic elastic half-spaces due ...

    Indian Academy of Sciences (India)

    M. Senthilkumar (Newgen Imaging) 1461 1996 Oct 15 13:05:22

    Static deformation of two monoclinic elastic half-spaces in welded contact due to a long inclined strike-slip fault situated in one of the half-spaces is studied analytically and numerically. Closed- form algebraic expressions for the displacement at any point of the medium are obtained. The variation of the displacement at the ...

  15. Characterization of a Diamond Ground Y-TZP and Reversion of the Tetragonal to Monoclinic Transformation.

    Science.gov (United States)

    Candido, L M; Fais, Lmg; Ferreira, E B; Antonio, S G; Pinelli, Lap

    To characterize the surface of an yttria-stabilized zirconia (Y-TZP) ceramic after diamond grinding in terms of its crystalline phase, morphology, mean roughness (Ra), and wettability as well as to determine a thermal treatment to reverse the resulting tetragonal to monoclinic (t-m) transformation. Y-TZP specimens were distributed into different groups according to the actions (or no action) of grinding and irrigation. Grinding was accomplished using a diamond stone at a low speed. The samples were characterized by x-ray diffraction (XRD), scanning electron microscopy, goniometry, and profilometry. In situ high-temperature XRD was used to determine an annealing temperature to reverse the t-m transformation. Ra was submitted to the Kruskal-Wallis test, followed by the Dunn test (α=0.05). The volume fraction of the monoclinic phase and contact angle were submitted to one-way analysis of variance, followed by the Tukey test (α=0.05). Monoclinic zirconia was observed on the surface of samples after dry and wet grinding with a diamond stone. The volume fraction of the monoclinic phase was smaller on the dry ground samples (3.6%±0.3%) than on the wet ground samples (5.6%±0.3%). High-temperature XRD showed reversion of the t-m phase transformation, which started at 700°C and completed at 800°C in a conventional oven. Grinding with a diamond stone partially transformed the crystalline phase on the surface of a Y-TZP ceramic from tetragonal to monoclinic zirconia while simultaneously increasing the surface roughness and wettability. The t-m transformation could be reversed by heat treatment at 800°C or 900°C for 60 minutes or 1000°C for 30 minutes.

  16. Tunable luminescent emission characterization of type-I and type-II systems in CdS-ZnSe core-shell nanoparticles: Raman and photoluminescence study.

    Science.gov (United States)

    Ca, Nguyen Xuan; Lien, V T K; Nghia, N X; Chi, T T K; Phan, The-Long

    2015-11-06

    We used wet chemical methods to synthesize core-shell nanocrystalline samples CdS(d)/ZnSe N , where d = 3-6 nm and N = 1-5 are the size of CdS cores and the number of monolayers grown on the cores, respectively. By annealing typical CdS(d)/ZnSe N samples (with d = 3 and 6 nm and N = 2) at 300 °C for various times t an = 10-600 min, we created an intermediate layer composed of Zn1-x Cd x Se and Cd1-x Zn x S alloys with various thicknesses. The formation of core-shell structures and intermediate layers was monitored by Raman scattering and UV-vis absorption spectrometers. Careful photoluminescence studies revealed that the as-prepared CdS(d)/ZnSe N samples with d = 5 nm and N = 2-4, and the annealed samples CdS(3 nm)/ZnSe2 with t an ≤ 60 min and CdS(6 nm)/ZnSe2 with t an ≤ 180 min, show the emission characteristics of type-II systems. Meanwhile, the other samples show the emission characteristics of type-I systems. These results prove that the partial separation of photoexcited carriers between the core and shell is dependent strongly on the engineered core-shell nanostructures, meaning the sizes of the core, shell, and intermediate layers. With the tunable luminescence properties, CdS-ZnSe-based core-shell materials are considered as promising candidates for multiple-exciton generation and single-photon sources.

  17. SE PREVENINDO?

    Directory of Open Access Journals (Sweden)

    Ana Débora Assis Moura

    2010-01-01

    Full Text Available Este estudio tuvo como objetivo verificar el comportamiento de las prostitutas en relación a la prevención de enfermedades de transmisión sexual y del Síndrome de Inmunodeficiencia Adquirida-SIDA, así como investigar cómo se previenen de esas enfermedades. Se trata de una investigación exploratoria, con enfoque cualitativo, llevada a cabo en la Asociación de las Prostitutas en Ceará, Brazil, en septiembre de 2008, a través de una encuesta con 25 prostitutas. El análisis de los datos se hizo según el análisis de contenido, después de ser agrupados en cuatro categorías: conocimiento sobre las enfermedades de transmisión sexual/SIDA; convivencia con la(s enfermedad(es; prevención de la enfermedad de transmisión sexual/SIDA; y el uso de drogas. Se concluyó que las prostitutas no usan preservativos en todas las relaciones sexuales, por lo tanto, las enfermedades de transmisión sexual representan una realidad; la desinformación sobre la(s enfermedad(es es notable; el consumo de drogas lícitas e ilícitas es frecuente entre ellas, factor que las expone a situaciones más vulnerables con relación al VIH/SIDA.

  18. First-principles study of structural and elastic properties of monoclinic and orthorhombic BiMnO3

    International Nuclear Information System (INIS)

    Mei Zhigang; Shang Shunli; Wang Yi; Liu Zikui

    2010-01-01

    The structural and elastic properties of BiMnO 3 with monoclinic (C 2/c) and orthorhombic (Pnma) ferromagnetic (FM) structures have been studied by first-principles calculations within LDA + U and GGA + U approaches. The equilibrium volumes and bulk moduli of BiMnO 3 phases are evaluated by equation of state (EOS) fittings, and the bulk properties predicted by LDA + U calculations are in better agreement with experiment. The orthorhombic phase is found to be more stable than the monoclinic phase at ambient pressure. A monoclinic to monoclinic phase transition is predicted to occur at a pressure of about 10 GPa, which is ascribed to magnetism versus volume instability of monoclinic BiMnO 3 . The single-crystal elastic stiffness constants c ij s of the monoclinic and orthorhombic phases are investigated using the stress-strain method. The c 46 of the monoclinic phase is predicted to be negative. In addition, the polycrystalline elastic properties including bulk modulus, shear modulus, Young's modulus, bulk modulus-shear modulus ratio, Poisson's ratio, and elastic anisotropy ratio are determined based on the calculated elastic constants. The presently predicted phase transition and elastic properties open new directions for investigation of the phase transitions in BiMnO 3 , and provide helpful guidance for the future elastic constant measurements.

  19. Effects of monoclinic symmetry on the properties of biaxial liquid crystals

    Science.gov (United States)

    Solodkov, Nikita V.; Nagaraj, Mamatha; Jones, J. Cliff

    2018-04-01

    Tilted smectic liquid crystal phases such as the smectic-C phase seen in calamitic liquid crystals are usually treated using the assumption of biaxial orthorhombic symmetry. However, the smectic-C phase has monoclinic symmetry, thereby allowing disassociation of the principal optic and dielectric axes based on symmetry and invariance principles. This is demonstrated here by comparing optical and dielectric measurements for two materials with highly first-order direct transitions from nematic to smectic-C phases. The results show a high difference between the orientations of the principal axes sets, which is interpreted as the existence of two distinct cone angles for optical and dielectric frequencies. Both materials exhibit an increasing degree of monoclinic behavior with decreasing temperature. Due to fast switching speeds, ferroelectric smectic-C* materials are important for fast modulators and LCoS devices, where the dielectric biaxiality influences device operation.

  20. Evidence for photo-induced monoclinic metallic VO2 under high pressure

    International Nuclear Information System (INIS)

    Hsieh, Wen-Pin; Mao, Wendy L.; Trigo, Mariano; Reis, David A.; Andrea Artioli, Gianluca; Malavasi, Lorenzo

    2014-01-01

    We combine ultrafast pump-probe spectroscopy with a diamond-anvil cell to decouple the insulator-metal electronic transition from the lattice symmetry changing structural transition in the archetypal strongly correlated material vanadium dioxide. Coherent phonon spectroscopy enables tracking of the photo-excited phonon vibrational frequencies of the low temperature, monoclinic (M 1 )-insulating phase that transforms into the metallic, tetragonal rutile structured phase at high temperature or via non-thermal photo-excitations. We find that in contrast with ambient pressure experiments where strong photo-excitation promptly induces the electronic transition along with changes in the lattice symmetry, at high pressure, the coherent phonons of the monoclinic (M 1 ) phase are still clearly observed upon the photo-driven phase transition to a metallic state. These results demonstrate the possibility of synthesizing and studying transient phases under extreme conditions

  1. SIMS study of oxygen diffusion in monoclinic HfO2

    Science.gov (United States)

    Mueller, Michael P.; De Souza, Roger A.

    2018-01-01

    The diffusion of oxygen in dense ceramics of monoclinic HfO2 was studied by means of (18O/16O) isotope exchange annealing and subsequent determination of isotope depth profiles by Secondary Ion Mass Spectrometry. Anneals were performed in the temperature range of 573 ≤T /K ≤ 973 at an oxygen partial pressure of p O2=200 mbar . All measured isotope profiles exhibited two features: the first feature, closer to the surface, was attributed mainly to slow oxygen diffusion in an impurity silicate phase; the second feature, deeper in the sample, was attributed to oxygen diffusion in bulk monoclinic HfO2 . The activation enthalpy of oxygen tracer diffusion in bulk HfO2 was found to be ΔHD∗≈0.5 eV .

  2. Evidence for photo-induced monoclinic metallic VO{sub 2} under high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Hsieh, Wen-Pin, E-mail: wphsieh@stanford.edu; Mao, Wendy L. [Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States); Department of Geological and Environmental Sciences, Stanford University, Stanford, California 94305 (United States); Trigo, Mariano [Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States); Stanford PULSE Institute, SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States); Reis, David A. [Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States); Stanford PULSE Institute, SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States); Department of Photon Science and Applied Physics, Stanford University, Stanford, California 94305 (United States); Andrea Artioli, Gianluca; Malavasi, Lorenzo [Dipartimento di Chimica, Sezione di Chimica Fisica, INSTM (UdR Pavia), Università di Pavia, Viale Taramelli 16, 27100 Pavia (Italy)

    2014-01-13

    We combine ultrafast pump-probe spectroscopy with a diamond-anvil cell to decouple the insulator-metal electronic transition from the lattice symmetry changing structural transition in the archetypal strongly correlated material vanadium dioxide. Coherent phonon spectroscopy enables tracking of the photo-excited phonon vibrational frequencies of the low temperature, monoclinic (M{sub 1})-insulating phase that transforms into the metallic, tetragonal rutile structured phase at high temperature or via non-thermal photo-excitations. We find that in contrast with ambient pressure experiments where strong photo-excitation promptly induces the electronic transition along with changes in the lattice symmetry, at high pressure, the coherent phonons of the monoclinic (M{sub 1}) phase are still clearly observed upon the photo-driven phase transition to a metallic state. These results demonstrate the possibility of synthesizing and studying transient phases under extreme conditions.

  3. Calculation of magnetization curves and probability distribution for monoclinic and uniaxial systems

    International Nuclear Information System (INIS)

    Sobh, Hala A.; Aly, Samy H.; Yehia, Sherif

    2013-01-01

    We present the application of a simple classical statistical mechanics-based model to selected monoclinic and hexagonal model systems. In this model, we treat the magnetization as a classical vector whose angular orientation is dictated by the laws of equilibrium classical statistical mechanics. We calculate for these anisotropic systems, the magnetization curves, energy landscapes and probability distribution for different sets of relevant parameters and magnetic fields of different strengths and directions. Our results demonstrate a correlation between the most probable orientation of the magnetization vector, the system's parameters, and the external magnetic field. -- Highlights: ► We calculate magnetization curves and probability angular distribution of the magnetization. ► The magnetization curves are consistent with probability results for the studied systems. ► Monoclinic and hexagonal systems behave differently due to their different anisotropies

  4. Identification of monoclinic calcium pyrophosphate dihydrate and hydroxyapatite in human sclera using Raman microspectroscopy.

    Science.gov (United States)

    Chen, Ko-Hua; Li, Mei-Jane; Cheng, Wen-Ting; Balic-Zunic, Tonci; Lin, Shan-Yang

    2009-02-01

    Raman microspectroscopy was first used to determine the composition of a calcified plaque located at the pterygium-excision site of a 51-year-old female patient's left nasal sclera after surgery. It was unexpectedly found that the Raman spectrum of the calcified sample at 1149, 1108, 1049, 756, 517, 376 and 352/cm was similar to the Raman spectrum of monoclinic form of calcium pyrophosphate dihydrate (CPPD) crystal, but differed from the Raman spectrum of triclinic form of CPPD. An additional peak at 958/cm was also observed in the Raman spectrum of the calcified plaque, which was identical to the characteristic peak at 958/cm of hydroxyapatite (HA). This is the first study to report the spectral biodiagnosis of both monoclinic CPPD and HA co-deposited in the calcified plaque of a patient with sclera dystrophic calcification using Raman microspectroscopy.

  5. Cu{sub 2}ZnSn(S,Se){sub 4} from Cu{sub x}SnS{sub y} nanoparticle precursors on ZnO nanorod arrays

    Energy Technology Data Exchange (ETDEWEB)

    Kavalakkatt, Jaison, E-mail: jai.k@web.de [Helmholtz-Zentrum Berlin fuer Materialien und Energie, Hahn-Meitner-Platz 1, D-14109 Berlin (Germany); Freie Universitaet Berlin, Berlin (Germany); Lin, Xianzhong; Kornhuber, Kai [Helmholtz-Zentrum Berlin fuer Materialien und Energie, Hahn-Meitner-Platz 1, D-14109 Berlin (Germany); Kusch, Patryk [Freie Universitaet Berlin, Berlin (Germany); Ennaoui, Ahmed [Helmholtz-Zentrum Berlin fuer Materialien und Energie, Hahn-Meitner-Platz 1, D-14109 Berlin (Germany); Reich, Stephanie [Freie Universitaet Berlin, Berlin (Germany); Lux-Steiner, Martha Ch. [Helmholtz-Zentrum Berlin fuer Materialien und Energie, Hahn-Meitner-Platz 1, D-14109 Berlin (Germany); Freie Universitaet Berlin, Berlin (Germany)

    2013-05-01

    Solar cells with Cu{sub 2}ZnSnS{sub 4} absorber thin films have a potential for high energy conversion efficiencies with earth-abundant and non-toxic elements. In this work the formation of CZTSSe from Cu{sub x}SnS{sub y} nanoparticles (NPs) deposited on ZnO nanorod (NR) arrays as precursors for zinc is investigated. The NPs are prepared using a chemical route and are dispersed in toluene. The ZnO NRs are grown on fluorine doped SnO{sub 2} coated glass substrates by electro deposition method. A series of samples are annealed at different temperatures between 300 °C and 550 °C in selenium containing argon atmosphere. To investigate the products of the reaction between the precursors the series is analyzed by means of X-ray diffraction (XRD) and Raman spectroscopy. The morphology is recorded by scanning electron microscopy (SEM) images of broken cross sections. The XRD measurements and the SEM images show the disappearing of ZnO NRs with increasing annealing temperature. Simultaneously the XRD and Raman measurements show the formation of CZTSSe. The formation of secondary phases and the optimum conditions for the preparation of CZTSSe is discussed. - Highlights: ► Cu{sub x}SnS{sub y} nanoparticles are deposited on ZnO nanorod arrays. ► Samples are annealed at different temperatures (300–550 °C) in Se/Ar-atmosphere. ► Raman spectroscopy, X-ray diffraction and electron microscopy are performed. ► ZnO disappears with increasing annealing temperature. ► With increasing temperature Cu{sub x}SnS{sub y} and ZnO form Cu{sub 2}ZnSn(S,Se){sub 4}.

  6. Nucleation in stress-induced tetragonal-monoclinic transformation of constrained zirconia

    International Nuclear Information System (INIS)

    Chan, S.K.

    1992-08-01

    A theory for stress-induced tetragonal→monoclinic transformation of constrained zirconia is presented based on the assumption that when forcibly strained to a regime of absolute instability where the free energy density of the tetragonal phase has a negative curvature, the constrained tetragonal zirconia becomes unstable with respect to the development of a modulated strain pattern that will evolve into a band of twin monoclinic domains. The temperature range for such an instability, the critical size of the inclusion, the corresponding critical strain, and the periodicity of the modulation are derived in terms of parameters that can be related to the elastic stiffness coefficients of various orders of the inclusion and the shear modulus of the host matrix. An entirely different mechanism is suggested for the reverse monoclinic→tetragonal transformation because the monoclinic phase is metastable when the extrinsic stress is removed. Estimates for the parameters are inferred from a variety of experimental data for pure zirconia and the numerical values for the predicted physical quantities are obtained

  7. Critical Role of Monoclinic Polarization Rotation in High-Performance Perovskite Piezoelectric Materials.

    Science.gov (United States)

    Liu, Hui; Chen, Jun; Fan, Longlong; Ren, Yang; Pan, Zhao; Lalitha, K V; Rödel, Jürgen; Xing, Xianran

    2017-07-07

    High-performance piezoelectric materials constantly attract interest for both technological applications and fundamental research. The understanding of the origin of the high-performance piezoelectric property remains a challenge mainly due to the lack of direct experimental evidence. We perform in situ high-energy x-ray diffraction combined with 2D geometry scattering technology to reveal the underlying mechanism for the perovskite-type lead-based high-performance piezoelectric materials. The direct structural evidence reveals that the electric-field-driven continuous polarization rotation within the monoclinic plane plays a critical role to achieve the giant piezoelectric response. An intrinsic relationship between the crystal structure and piezoelectric performance in perovskite ferroelectrics has been established: A strong tendency of electric-field-driven polarization rotation generates peak piezoelectric performance and vice versa. Furthermore, the monoclinic M_{A} structure is the key feature to superior piezoelectric properties as compared to other structures such as monoclinic M_{B}, rhombohedral, and tetragonal. A high piezoelectric response originates from intrinsic lattice strain, but little from extrinsic domain switching. The present results will facilitate designing high-performance perovskite piezoelectric materials by enhancing the intrinsic lattice contribution with easy and continuous polarization rotation.

  8. A comparison investigation of optical, structural and luminescence properties of CdOxTe1-x and CdTexSe1-x nanoparticles prepared by a simple one pot method

    Science.gov (United States)

    Kiprotich, Sharon; Onani, Martin O.; Dejene, Francis B.

    2018-04-01

    We present L-cysteine capped CdOXTe1-X and CdTeXSe1-X nanoparticles (NPs) prepared in one pot. The as-prepared CdOXTe1-X NPs were found to have a hexagonal crystal structure of CdTe with a cubic phase of CdO. There was, however, change in phase to cubic type when 2 mM of Se was introduced into the CdTe at 60 min of reaction time. The average crystallite sizes obtained from X-ray diffraction analysis for CdOXTe1-X and CdTeXSe1-X NPs were in the range of 10-36 nm. The diffraction peaks shifted to higher diffraction angle with longer growth time. Scanning electron microscope images display change in shape and size as reaction progress. Photoluminescence (PL) emission was observed to shift from 510-566 nm and 620-653 nm for CdOXTe1-X and CdTeXSe1-X NPs respectively followed by variation in the peak intensities. The emission spectra displayed a good symmetry and a narrow full width at half maximum ranging from 41 to 100 nm in both cases. The absorbance analysis of the as-prepared NPs displayed well-resolved absorption bands. The optical band gaps of the as-prepared NPs were found to decrease with increase in reaction time. Reaction parameters such as pH, reaction time, reaction temperature and the molar concentration could have major effects on the optical properties of the as-prepared nanoparticles hence their need to control them.

  9. Electric-field-induced monoclinic phase in (Ba,Sr)TiO3 thin film

    International Nuclear Information System (INIS)

    Anokhin, A. S.; Yuzyuk, Yu. I.; Golovko, Yu. I.; Mukhortov, V. M.; El Marssi, M.

    2011-01-01

    We have studied electric-field-induced symmetry lowering in the tetragonal (001)-oriented heteroepitaxial (Ba 0.8 Sr 0.2 )TiO 3 thin film deposited on (001)MgO substrate. Polarized micro-Raman spectra were recorded from the film area in between two planar electrodes deposited on the film surface. Presence of c domains with polarization normal to the substrate was confirmed from polarized Raman study under zero field, while splitting and hardening of the E(TO) soft mode and polarization changes in the Raman spectra suggest monoclinic symmetry under external electric field.

  10. Identification of monoclinic calcium pyrophosphate dihydrate and hydroxyapatite in human sclera using Raman microspectroscopy

    DEFF Research Database (Denmark)

    Chen, Ko-Hua; Li, Mei-Jane; Cheng, Wen-Ting

    2009-01-01

    Raman microspectroscopy was first used to determine the composition of a calcified plaque located at the pterygium-excision site of a 51-year-old female patient's left nasal sclera after surgery. It was unexpectedly found that the Raman spectrum of the calcified sample at 1149, 1108, 1049, 756, 5...... to the characteristic peak at 958/cm of hydroxyapatite (HA). This is the first study to report the spectral biodiagnosis of both monoclinic CPPD and HA co-deposited in the calcified plaque of a patient with sclera dystrophic calcification using Raman microspectroscopy....

  11. Growth of potassium niobate micro-hexagonal tablets with monoclinic phase and its excellent piezoelectric property

    Science.gov (United States)

    Chen, Zhong; Huang, Jingyun; Wang, Ye; Yang, Yefeng; Wu, Yongjun; Ye, Zhizhen

    2012-09-01

    Potassium niobate micro-hexagonal tablets were synthesized through hydrothermal reaction with KOH, H2O and Nb2O5 as source materials by using a polycrystalline Al2O3 as substrate. X-ray diffraction, Raman spectra and selected area electron diffraction analysis results indicated that the tablets exhibit monoclinic phase structure and are highly crystallized. Meanwhile, piezoelectric property of the micro-hexagonal tablets was investigated. The as-synthesized tablets exhibit excellent piezoactivities in the experiments, and an effective piezoelectric coefficient of around 80 pm/V was obtained. The tablets have huge potential applications in micro/nano-integrated piezoelectric and optical devices.

  12. Acoustic emission characterization of the tetragonal-monoclinic phase transformation in zirconia

    International Nuclear Information System (INIS)

    Clarke, D.R.; Arora, A.

    1983-01-01

    The processes accompanying the tetragonal-monoclinic phase transformation in zirconia (ZrO 2 ) have been studied using acoustic emission and electron microscopy in an attempt to characterize the different mechanisms by which the transformation can be accommodated in bulk materials. Experiments in which the acoustic emission is detected as specimens are cooled through the transformation, following densification by sintering, are described. For comparison, the acoustic emission from free, nominally unconstrained powders similarly cooled through the transformation is reported. The existence of distinct processes accompanying the phase transformation is established on the basis of postexperiment multiparametric correlation analysis of the acoustic emission

  13. Temperature-dependent index of refraction of monoclinic Ga2O3 single crystal.

    Science.gov (United States)

    Bhaumik, Indranil; Bhatt, R; Ganesamoorthy, S; Saxena, A; Karnal, A K; Gupta, P K; Sinha, A K; Deb, S K

    2011-11-01

    We present temperature-dependent refractive index along crystallographic b[010] and a direction perpendicular to (100)-plane for monoclinic phase (β) Ga(2)O(3) single crystal grown by the optical floating zone technique. The experimental results are consistent with the theoretical result of Litimein et al.1. Also, the Sellmeier equation for wavelengths in the range of 0.4-1.55 μm is formulated at different temperatures in the range of 30-175 °C. The thermal coefficient of refractive index in the above specified range is ~10(-5)/°C. © 2011 Optical Society of America

  14. Spray deposition of water-soluble multiwall carbon nanotube and Cu2ZnSnSe4 nanoparticle composites as highly efficient counter electrodes in a quantum dot-sensitized solar cell system

    Science.gov (United States)

    Zeng, Xianwei; Xiong, Dehua; Zhang, Wenjun; Ming, Liqun; Xu, Zhen; Huang, Zhanfeng; Wang, Mingkui; Chen, Wei; Cheng, Yi-Bing

    2013-07-01

    In this paper, low-cost counter electrodes (CEs) based on water-soluble multiwall carbon nanotube (MWCNT) and Cu2ZnSnSe4 nanoparticle (CZTSe NP) composites have been successfully introduced into a quantum dot-sensitized solar cell (QDSC) system. Suitable surface modification allows the MWCNTs and CZTSe NPs to be homogeneously dispersed in water, facilitating the subsequent low-temperature spray deposition of high quality composite films with different composite ratios. The electrochemical catalytic activity of the composite CEs has been critically compared by electrochemical impedance spectroscopy and Tafel-polarization analysis. It is found that the composite CE at the MWCNT : CZTSe ratio of 0.1 offers the best performance, leading to an optimal solar cell efficiency of 4.60%, which is 50.8% higher than that of the Pt reference CE. The as-demonstrated higher catalytic activity of the composite CEs compared to their single components could be ascribed to the combination of the fast electron transport of the MWCNTs and the high catalytic activity of CZTSe NPs.In this paper, low-cost counter electrodes (CEs) based on water-soluble multiwall carbon nanotube (MWCNT) and Cu2ZnSnSe4 nanoparticle (CZTSe NP) composites have been successfully introduced into a quantum dot-sensitized solar cell (QDSC) system. Suitable surface modification allows the MWCNTs and CZTSe NPs to be homogeneously dispersed in water, facilitating the subsequent low-temperature spray deposition of high quality composite films with different composite ratios. The electrochemical catalytic activity of the composite CEs has been critically compared by electrochemical impedance spectroscopy and Tafel-polarization analysis. It is found that the composite CE at the MWCNT : CZTSe ratio of 0.1 offers the best performance, leading to an optimal solar cell efficiency of 4.60%, which is 50.8% higher than that of the Pt reference CE. The as-demonstrated higher catalytic activity of the composite CEs compared to

  15. Atomic Origins of Monoclinic-Tetragonal (Rutile) Phase Transition in Doped VO 2 Nanowires

    KAUST Repository

    Asayesh-Ardakani, Hasti

    2015-10-12

    There has been long-standing interest in tuning the metal-insulator phase transition in vanadium dioxide (VO) via the addition of chemical dopants. However, the underlying mechanisms by which doping elements regulate the phase transition in VO are poorly understood. Taking advantage of aberration-corrected scanning transmission electron microscopy, we reveal the atomistic origins by which tungsten (W) dopants influence the phase transition in single crystalline WVO nanowires. Our atomically resolved strain maps clearly show the localized strain normal to the (122¯) lattice planes of the low W-doped monoclinic structure (insulator). These strain maps demonstrate how anisotropic localized stress created by dopants in the monoclinic structure accelerates the phase transition and lead to relaxation of structure in tetragonal form. In contrast, the strain distribution in the high W-doped VO structure is relatively uniform as a result of transition to tetragonal (metallic) phase. The directional strain gradients are furthermore corroborated by density functional theory calculations that show the energetic consequences of distortions to the local structure. These findings pave the roadmap for lattice-stress engineering of the MIT behavior in strongly correlated materials for specific applications such as ultrafast electronic switches and electro-optical sensors.

  16. Finite element analysis of the tetragonal to monoclinic phase transformation during oxidation of zirconium alloys

    Science.gov (United States)

    Platt, P.; Frankel, P.; Gass, M.; Howells, R.; Preuss, M.

    2014-11-01

    Corrosion is a key limiting factor in the degradation of zirconium alloys in light water reactors. Developing a mechanistic understanding of the corrosion process offers a route towards improving safety and efficiency as demand increases for higher burn-up of fuel. Oxides formed on zirconium alloys are composed of both monoclinic and meta-stable tetragonal phases, and are subject to a number of potential mechanical degradation mechanisms. The work presented investigates the link between the tetragonal to monoclinic oxide phase transformation and degradation of the protective character of the oxide layer. To achieve this, Abaqus finite element analysis of the oxide phase transformation has been carried out. Study of the change in transformation strain energy shows how relaxation of oxidation induced stress and fast fracture at the metal-oxide interface could destabilise the tetragonal phase. Central to this is the identification of the transformation variant most likely to form, and understanding why twinning of the transformed grain is likely to occur. Development of transformation strain tensors and analysis of the strain components allows some separation of dilatation and shear effects. Maximum principal stress is used as an indication of fracture in the surrounding oxide layer. Study of the stress distributions shows the way oxide fracture is likely to occur and the differing effects of dilatation and shape change. Comparison with literature provides qualitative validation of the finite element simulations.

  17. Room Temperature Monoclinic Phase in BaTiO3 Single Crystals

    Science.gov (United States)

    Denev, Sava; Kumar, Amit; Barnes, Andrew; Vlahos, Eftihia; Shepard, Gabriella; Gopalan, Venkatraman

    2010-03-01

    BaTiO3 is a well studied ferroelectric material for the last half century. It is well known to show phase transitions to tetragonal, orthorhombic and rhombohedral phases upon cooling. Yet, some old and some recent studies have argued that all these phases co-exist with a second phase with monoclinic distortion. Using optical second harmonic generation (SHG) at room temperature we directly present evidence for such monoclininc phase co-existing with tetragonal phase at room temperature. We observe domains with the expected tetragonal symmetry exhibiting 90^o and 180^o domain walls. However, at points of higher stress at the tips of the interpenetrating tetragonal domains we observe a well pronounced metastable ``staircase pattern'' with a micron-scale fine structure. Polarization studies show that this phase can be explained only by monoclinic symmetry. This phase is very sensitive to external perturbations such as temperature and fields, hence stabilizing this phase at room temperature could lead to large properties' tunability.

  18. The giant piezoelectric effect: electric field induced monoclinic phase or piezoelectric distortion of the rhombohedral parent?

    CERN Document Server

    Kisi, E H; Forrester, J S; Howard, C J

    2003-01-01

    Lead zinc niobate-lead titanate (PZN-PT) single crystals show very large piezoelectric strains for electric fields applied along the unit cell edges e.g. [001] sub R. It has been widely reported that this effect is caused by an electric field induced phase transition from rhombohedral (R3m) to monoclinic (Cm or Pm) symmetry in an essentially continuous manner. Group theoretical analysis using the computer program ISOTROPY indicates phase transitions between R3m and Cm (or Pm) must be discontinuous under Landau theory. An analysis of the symmetry of a strained unit cell in R3m and a simple expansion of the piezoelectric strain equation indicate that the piezoelectric distortion due to an electric field along a cell edge in rhombohedral perovskite-based ferroelectrics is intrinsically monoclinic (Cm), even for infinitesimal electric fields. PZN-PT crystals have up to nine times the elastic compliance of other piezoelectric perovskites and it might be expected that the piezoelectric strains are also very large. ...

  19. Finite element analysis of the tetragonal to monoclinic phase transformation during oxidation of zirconium alloys

    International Nuclear Information System (INIS)

    Platt, P.; Frankel, P.; Gass, M.; Howells, R.; Preuss, M.

    2014-01-01

    Corrosion is a key limiting factor in the degradation of zirconium alloys in light water reactors. Developing a mechanistic understanding of the corrosion process offers a route towards improving safety and efficiency as demand increases for higher burn-up of fuel. Oxides formed on zirconium alloys are composed of both monoclinic and meta-stable tetragonal phases, and are subject to a number of potential mechanical degradation mechanisms. The work presented investigates the link between the tetragonal to monoclinic oxide phase transformation and degradation of the protective character of the oxide layer. To achieve this, Abaqus finite element analysis of the oxide phase transformation has been carried out. Study of the change in transformation strain energy shows how relaxation of oxidation induced stress and fast fracture at the metal–oxide interface could destabilise the tetragonal phase. Central to this is the identification of the transformation variant most likely to form, and understanding why twinning of the transformed grain is likely to occur. Development of transformation strain tensors and analysis of the strain components allows some separation of dilatation and shear effects. Maximum principal stress is used as an indication of fracture in the surrounding oxide layer. Study of the stress distributions shows the way oxide fracture is likely to occur and the differing effects of dilatation and shape change. Comparison with literature provides qualitative validation of the finite element simulations

  20. Finite element analysis of the tetragonal to monoclinic phase transformation during oxidation of zirconium alloys

    Energy Technology Data Exchange (ETDEWEB)

    Platt, P., E-mail: Philip.Platt@manchester.ac.uk [University of Manchester, School of Materials, Materials Performance Centre, Manchester M13 9PL (United Kingdom); Frankel, P. [University of Manchester, School of Materials, Materials Performance Centre, Manchester M13 9PL (United Kingdom); Gass, M.; Howells, R. [AMEC, Walton House, Faraday Street, Birchwood Park, Risley, Warrington WA3 6GA (United Kingdom); Preuss, M. [University of Manchester, School of Materials, Materials Performance Centre, Manchester M13 9PL (United Kingdom)

    2014-11-15

    Corrosion is a key limiting factor in the degradation of zirconium alloys in light water reactors. Developing a mechanistic understanding of the corrosion process offers a route towards improving safety and efficiency as demand increases for higher burn-up of fuel. Oxides formed on zirconium alloys are composed of both monoclinic and meta-stable tetragonal phases, and are subject to a number of potential mechanical degradation mechanisms. The work presented investigates the link between the tetragonal to monoclinic oxide phase transformation and degradation of the protective character of the oxide layer. To achieve this, Abaqus finite element analysis of the oxide phase transformation has been carried out. Study of the change in transformation strain energy shows how relaxation of oxidation induced stress and fast fracture at the metal–oxide interface could destabilise the tetragonal phase. Central to this is the identification of the transformation variant most likely to form, and understanding why twinning of the transformed grain is likely to occur. Development of transformation strain tensors and analysis of the strain components allows some separation of dilatation and shear effects. Maximum principal stress is used as an indication of fracture in the surrounding oxide layer. Study of the stress distributions shows the way oxide fracture is likely to occur and the differing effects of dilatation and shape change. Comparison with literature provides qualitative validation of the finite element simulations.

  1. Atomic Origins of Monoclinic-Tetragonal (Rutile) Phase Transition in Doped VO2 Nanowires.

    Science.gov (United States)

    Asayesh-Ardakani, Hasti; Nie, Anmin; Marley, Peter M; Zhu, Yihan; Phillips, Patrick J; Singh, Sujay; Mashayek, Farzad; Sambandamurthy, Ganapathy; Low, Ke-Bin; Klie, Robert F; Banerjee, Sarbajit; Odegard, Gregory M; Shahbazian-Yassar, Reza

    2015-11-11

    There has been long-standing interest in tuning the metal-insulator phase transition in vanadium dioxide (VO2) via the addition of chemical dopants. However, the underlying mechanisms by which doping elements regulate the phase transition in VO2 are poorly understood. Taking advantage of aberration-corrected scanning transmission electron microscopy, we reveal the atomistic origins by which tungsten (W) dopants influence the phase transition in single crystalline WxV1-xO2 nanowires. Our atomically resolved strain maps clearly show the localized strain normal to the (122̅) lattice planes of the low W-doped monoclinic structure (insulator). These strain maps demonstrate how anisotropic localized stress created by dopants in the monoclinic structure accelerates the phase transition and lead to relaxation of structure in tetragonal form. In contrast, the strain distribution in the high W-doped VO2 structure is relatively uniform as a result of transition to tetragonal (metallic) phase. The directional strain gradients are furthermore corroborated by density functional theory calculations that show the energetic consequences of distortions to the local structure. These findings pave the roadmap for lattice-stress engineering of the MIT behavior in strongly correlated materials for specific applications such as ultrafast electronic switches and electro-optical sensors.

  2. The giant piezoelectric effect: electric field induced monoclinic phase or piezoelectric distortion of the rhombohedral parent?

    International Nuclear Information System (INIS)

    Kisi, E H; Piltz, R O; Forrester, J S; Howard, C J

    2003-01-01

    Lead zinc niobate-lead titanate (PZN-PT) single crystals show very large piezoelectric strains for electric fields applied along the unit cell edges e.g. [001] R . It has been widely reported that this effect is caused by an electric field induced phase transition from rhombohedral (R3m) to monoclinic (Cm or Pm) symmetry in an essentially continuous manner. Group theoretical analysis using the computer program ISOTROPY indicates phase transitions between R3m and Cm (or Pm) must be discontinuous under Landau theory. An analysis of the symmetry of a strained unit cell in R3m and a simple expansion of the piezoelectric strain equation indicate that the piezoelectric distortion due to an electric field along a cell edge in rhombohedral perovskite-based ferroelectrics is intrinsically monoclinic (Cm), even for infinitesimal electric fields. PZN-PT crystals have up to nine times the elastic compliance of other piezoelectric perovskites and it might be expected that the piezoelectric strains are also very large. A field induced phase transition is therefore indistinguishable from the piezoelectric distortion and is neither sufficient nor necessary to understand the large piezoelectric response of PZN-PT

  3. Atomic Origins of Monoclinic-Tetragonal (Rutile) Phase Transition in Doped VO 2 Nanowires

    KAUST Repository

    Asayesh-Ardakani, Hasti; Nie, Anmin; Marley, Peter M.; Zhu, Yihan; Phillips, Patrick J.; Singh, Sujay; Mashayek, Farzad; Sambandamurthy, Ganapathy; Low, Ke Bin; Klie, Robert F.; Banerjee, Sarbajit; Odegard, Gregory M.; Shahbazian-Yassar, Reza

    2015-01-01

    There has been long-standing interest in tuning the metal-insulator phase transition in vanadium dioxide (VO) via the addition of chemical dopants. However, the underlying mechanisms by which doping elements regulate the phase transition in VO are poorly understood. Taking advantage of aberration-corrected scanning transmission electron microscopy, we reveal the atomistic origins by which tungsten (W) dopants influence the phase transition in single crystalline WVO nanowires. Our atomically resolved strain maps clearly show the localized strain normal to the (122¯) lattice planes of the low W-doped monoclinic structure (insulator). These strain maps demonstrate how anisotropic localized stress created by dopants in the monoclinic structure accelerates the phase transition and lead to relaxation of structure in tetragonal form. In contrast, the strain distribution in the high W-doped VO structure is relatively uniform as a result of transition to tetragonal (metallic) phase. The directional strain gradients are furthermore corroborated by density functional theory calculations that show the energetic consequences of distortions to the local structure. These findings pave the roadmap for lattice-stress engineering of the MIT behavior in strongly correlated materials for specific applications such as ultrafast electronic switches and electro-optical sensors.

  4. Ab initio velocity-field curves in monoclinic β-Ga2O3

    Science.gov (United States)

    Ghosh, Krishnendu; Singisetti, Uttam

    2017-07-01

    We investigate the high-field transport in monoclinic β-Ga2O3 using a combination of ab initio calculations and full band Monte Carlo (FBMC) simulation. Scattering rate calculation and the final state selection in the FBMC simulation use complete wave-vector (both electron and phonon) and crystal direction dependent electron phonon interaction (EPI) elements. We propose and implement a semi-coarse version of the Wannier-Fourier interpolation method [Giustino et al., Phys. Rev. B 76, 165108 (2007)] for short-range non-polar optical phonon (EPI) elements in order to ease the computational requirement in FBMC simulation. During the interpolation of the EPI, the inverse Fourier sum over the real-space electronic grids is done on a coarse mesh while the unitary rotations are done on a fine mesh. This paper reports the high field transport in monoclinic β-Ga2O3 with deep insight into the contribution of electron-phonon interactions and velocity-field characteristics for electric fields ranging up to 450 kV/cm in different crystal directions. A peak velocity of 2 × 107 cm/s is estimated at an electric field of 200 kV/cm.

  5. Crystal structure of a new monoclinic polymorph of N-(4-methylphenyl-3-nitropyridin-2-amine

    Directory of Open Access Journals (Sweden)

    Aina Mardia Akhmad Aznan

    2014-08-01

    Full Text Available The title compound, C12H11N3O2, is a second monoclinic polymorph (P21, with Z′ = 4 of the previously reported monoclinic (P21/c, with Z′ = 2 form [Akhmad Aznan et al. (2010. Acta Cryst. E66, o2400]. Four independent molecules comprise the asymmetric unit, which have the common features of a syn disposition of the pyridine N atom and the toluene ring, and an intramolecular amine–nitro N—H...O hydrogen bond. The differences between molecules relate to the dihedral angles between the rings which range from 2.92 (19 to 26.24 (19°. The geometry-optimized structure [B3LYP level of theory and 6–311 g+(d,p basis set] has the same features except that the entire molecule is planar. In the crystal, the three-dimensional architecture is consolidated by a combination of C—H...O, C—H...π, nitro-N—O...π and π–π interactions [inter-centroid distances = 3.649 (2–3.916 (2 Å].

  6. Spray deposition of water-soluble multiwall carbon nanotube and Cu2ZnSnSe4 nanoparticle composites as highly efficient counter electrodes in a quantum dot-sensitized solar cell system.

    Science.gov (United States)

    Zeng, Xianwei; Xiong, Dehua; Zhang, Wenjun; Ming, Liqun; Xu, Zhen; Huang, Zhanfeng; Wang, Mingkui; Chen, Wei; Cheng, Yi-Bing

    2013-08-07

    In this paper, low-cost counter electrodes (CEs) based on water-soluble multiwall carbon nanotube (MWCNT) and Cu2ZnSnSe4 nanoparticle (CZTSe NP) composites have been successfully introduced into a quantum dot-sensitized solar cell (QDSC) system. Suitable surface modification allows the MWCNTs and CZTSe NPs to be homogeneously dispersed in water, facilitating the subsequent low-temperature spray deposition of high quality composite films with different composite ratios. The electrochemical catalytic activity of the composite CEs has been critically compared by electrochemical impedance spectroscopy and Tafel-polarization analysis. It is found that the composite CE at the MWCNT : CZTSe ratio of 0.1 offers the best performance, leading to an optimal solar cell efficiency of 4.60%, which is 50.8% higher than that of the Pt reference CE. The as-demonstrated higher catalytic activity of the composite CEs compared to their single components could be ascribed to the combination of the fast electron transport of the MWCNTs and the high catalytic activity of CZTSe NPs.

  7. Progress toward clonable inorganic nanoparticles

    Science.gov (United States)

    Ni, Thomas W.; Staicu, Lucian C.; Nemeth, Richard S.; Schwartz, Cindi L.; Crawford, David; Seligman, Jeffrey D.; Hunter, William J.; Pilon-Smits, Elizabeth A. H.; Ackerson, Christopher J.

    2015-10-01

    Pseudomonas moraviensis stanleyae was recently isolated from the roots of the selenium (Se) hyperaccumulator plant Stanleya pinnata. This bacterium tolerates normally lethal concentrations of SeO32- in liquid culture, where it also produces Se nanoparticles. Structure and cellular ultrastructure of the Se nanoparticles as determined by cellular electron tomography shows the nanoparticles as intracellular, of narrow dispersity, symmetrically irregular and without any observable membrane or structured protein shell. Protein mass spectrometry of a fractionated soluble cytosolic material with selenite reducing capability identified nitrite reductase and glutathione reductase homologues as NADPH dependent candidate enzymes for the reduction of selenite to zerovalent Se nanoparticles. In vitro experiments with commercially sourced glutathione reductase revealed that the enzyme can reduce SeO32- (selenite) to Se nanoparticles in an NADPH-dependent process. The disappearance of the enzyme as determined by protein assay during nanoparticle formation suggests that glutathione reductase is associated with or possibly entombed in the nanoparticles whose formation it catalyzes. Chemically dissolving the nanoparticles releases the enzyme. The size of the nanoparticles varies with SeO32- concentration, varying in size form 5 nm diameter when formed at 1.0 μM [SeO32-] to 50 nm maximum diameter when formed at 100 μM [SeO32-]. In aggregate, we suggest that glutathione reductase possesses the key attributes of a clonable nanoparticle system: ion reduction, nanoparticle retention and size control of the nanoparticle at the enzyme site.Pseudomonas moraviensis stanleyae was recently isolated from the roots of the selenium (Se) hyperaccumulator plant Stanleya pinnata. This bacterium tolerates normally lethal concentrations of SeO32- in liquid culture, where it also produces Se nanoparticles. Structure and cellular ultrastructure of the Se nanoparticles as determined by cellular

  8. Magnetoelectric Coupling in CuO Nanoparticles for Spintronics Applications

    Science.gov (United States)

    Kaur, Mandeep; Tovstolytkin, Alexandr; Lotey, Gurmeet Singh

    2018-05-01

    Multiferroic copper oxide (CuO) nanoparticles have been synthesized by colloidal synthesis method. The morphological, structural, magnetic, dielectric and magnetodielectric property has been investigated. The structural study reveals the monoclinic structure of CuO nanoparticles. Transmission electron microscopy images disclose that the size of the CuO nanoparticles is 18 nm and the synthesized nanoparticles are uniform in size and dispersion. Magnetic study tells the weak ferromagnetic character of CuO nanoparticles with coercivity and retentivity value 206 Oe and 0.060 emu/g respectively. Dielectric study confirms that the dielectric constant of CuO nanoparticles is around 1091 at low frequency. The magnetoelectric coupling in the synthesized CuO nanoparticles has been calculated by measuring magnetodielectric coupling coefficient.

  9. KINETIC STUDY OF SELECTIVE GAS-PHASE OXIDATION OF ISOPROPANOL TO ACETONE USING MONOCLINIC ZRO2 AS A CATALYST

    Directory of Open Access Journals (Sweden)

    Mohammad Sadiq

    2015-08-01

    Full Text Available Zirconia was prepared by a precipitation method and calcined at 723 K, 1023 K, and 1253 K in order to obtain monoclinic zirconia. The prepared zirconia was characterized by XRD, SEM, EDX, surface area and pore size analyzer, and particle size analyzer. Monoclinic ZrO2 as a catalyst was used for the gas-phase oxidation of isopropanol to acetone in a Pyrex-glass-flow-type reactor with a temperature range of 443 K - 473 K. It was found that monoclinic ZrO2 shows remarkable catalytic activity (68% and selectivity (100% for the oxidation of isopropanol to acetone. This kinetic study reveals that the oxidation of isopropanol to acetone follows the L-H mechanism.

  10. Structure of bayerite-based lithium-aluminum layered double hydroxides (LDHs): observation of monoclinic symmetry.

    Science.gov (United States)

    Britto, Sylvia; Kamath, P Vishnu

    2009-12-21

    The double hydroxides of Li with Al, obtained by the imbibition of Li salts into bayerite and gibbsite-Al(OH)(3), are not different polytypes of the same symmetry but actually crystallize in two different symmetries. The bayerite-derived double hydroxides crystallize with monoclinic symmetry, while the gibbsite-derived hydroxides crystallize with hexagonal symmetry. Successive metal hydroxide layers in the bayerite-derived LDHs are translated by the vector ( approximately -1/3, 0, 1) with respect to each other. The exigency of hydrogen bonding drives the intercalated Cl(-) ion to a site with 2-fold coordination, whereas the intercalated water occupies a site with 6-fold coordination having a pseudotrigonal prismatic symmetry. The nonideal nature of the interlayer sites has implications for the observed selectivity of Li-Al LDHs toward anions of different symmetries.

  11. Effect of boron oxide on the cubic-to-monoclinic phase transition in yttria-stabilized zirconia

    International Nuclear Information System (INIS)

    Florio, D.Z. de; Muccillo, R.

    2004-01-01

    Specimens of yttria fully stabilized zirconia with different amounts of boron oxide have been studied by X-ray diffraction at room temperature and at higher temperatures up to 1250 deg. C. A boron oxide-assisted cubic-to-monoclinic phase transformation was determined in the temperature range 800-1250 deg. C. In situ high temperature X-ray diffraction experiments gave evidences of the dependence of the phase transformation on the heating rate. The possibility of tuning the cubic-monoclinic phase ratio by suitable addition of boron oxide before pressing and sintering is proposed

  12. Monoclinic phase transformation and mechanical durability of zirconia ceramic after fatigue and autoclave aging.

    Science.gov (United States)

    Mota, Yasmine A; Cotes, Caroline; Carvalho, Rodrigo F; Machado, João P B; Leite, Fabíola P P; Souza, Rodrigo O A; Özcan, Mutlu

    2017-10-01

    This study evaluated the influence of two aging procedures on the biaxial flexural strength of yttria-stabilized tetragonal zirconia ceramics. Disc-shaped zirconia specimens and (ZE: E.max ZirCAD, Ivoclar; ZT: Zirkon Translucent, Zirkonzahn) (N = 80) (∅:12 mm; thickness:1.2 mm, ISO 6872) were prepared and randomly divided into four groups (n = 10 per group) according to the aging procedures: C: Control, no aging; M: mechanical cycling (2 × 10 6 cycles/3.8 Hz/200 N); AUT: Aging in autoclave at 134°C, 2 bar for 24 h; AUT + M: Autoclave aging followed by mechanical cycling. After aging, the transformed monoclinic zirconia (%) were evaluated using X-ray diffraction and surface roughness was measured using atomic force microscopy. The average grain size was measured by scanning electron microscopy and the specimens were submitted to biaxial flexural strength testing (1 mm/min, 1000 kgf in water). Data (MPa) were statistically analyzed using 2-way analysis of variance and Tukey's test (α = 0.05). Aging procedures significantly affected (p = 0.000) the flexural strength data but the effect of zirconia type was not significant (p = 0.657). AUT ZT (936.4 ± 120.9 b ) and AUT + M ZE (867.2 ± 49.3 b ) groups presented significantly higher values (p autoclave aging alone or with mechanical aging increased the flexure strength but also induced higher transformation from tetragonal to monoclinic phase in both zirconia materials tested. © 2016 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 105B: 1972-1977, 2017. © 2016 Wiley Periodicals, Inc.

  13. Paleomagnetic and structural evidence for oblique slip in a fault-related fold, Grayback monocline, Colorado

    Science.gov (United States)

    Tetreault, J.; Jones, C.H.; Erslev, E.; Larson, S.; Hudson, M.; Holdaway, S.

    2008-01-01

    Significant fold-axis-parallel slip is accommodated in the folded strata of the Grayback monocline, northeastern Front Range, Colorado, without visible large strike-slip displacement on the fold surface. In many cases, oblique-slip deformation is partitioned; fold-axis-normal slip is accommodated within folds, and fold-axis-parallel slip is resolved onto adjacent strike-slip faults. Unlike partitioning strike-parallel slip onto adjacent strike-slip faults, fold-axis-parallel slip has deformed the forelimb of the Grayback monocline. Mean compressive paleostress orientations in the forelimb are deflected 15??-37?? clockwise from the regional paleostress orientation of the northeastern Front Range. Paleomagnetic directions from the Permian Ingleside Formation in the forelimb are rotated 16??-42?? clockwise about a bedding-normal axis relative to the North American Permian reference direction. The paleostress and paleomagnetic rotations increase with the bedding dip angle and decrease along strike toward the fold tip. These measurements allow for 50-120 m of fold-axis-parallel slip within the forelimb, depending on the kinematics of strike-slip shear. This resolved horizontal slip is nearly equal in magnitude to the ???180 m vertical throw across the fold. For 200 m of oblique-slip displacement (120 m of strike slip and 180 m of reverse slip), the true shortening direction across the fold is N90??E, indistinguishable from the regionally inferred direction of N90??E and quite different from the S53??E fold-normal direction. Recognition of this deformational style means that significant amounts of strike slip can be accommodated within folds without axis-parallel surficial faulting. ?? 2008 Geological Society of America.

  14. Synthesis of dextran/Se nanocomposites for nanomedicine application

    International Nuclear Information System (INIS)

    Shen Yuhua; Wang Xiufang; Xie Anjian; Huang Lachun; Zhu Jinmiao; Chen Long

    2008-01-01

    In this study, spherical Se nanoparticles were prepared by the reduction of aqueous selenious acid with ice bath through a simple, conventional, and one-step method without the aid of any surfactant, or template. The nanoparticles were characterized by transmission electron microscopy (TEM), photon correlation spectroscopy (PCS), X-ray powder diffraction (XRD), Ultraviolet-visible spectroscopy (UV-vis), Zeta potential, respectively. The results show the Se nanoparticles have good particle dispersion with the average diameters of 36 nm and are amorphous (α-Se). Tablets A and B containing dextran and Se nanoparticles were synthesized with different preparation methods. Se nanoparticles studded equably in the interior and the surface of the tablets, and there are strong interactions between Se and dextran. The release of Se from tablets is investigated in the simulated gastric and intestinal conditions. It is found that the pH environment and different synthetical methods have significant influence on the release rate of Se. The release mechanism of Se nanoparticles is also discussed. The nanocomposites can be applied in controlled releasing of Se nanomedicine

  15. Coexistence of different charge states in Ta-doped monoclinic HfO2: Theoretical and experimental approaches

    DEFF Research Database (Denmark)

    Taylor, M.A.; Alonso, R.E.; Errico, L.A.

    2010-01-01

    A combination of experiments and ab initio quantum-mechanical calculations has been applied to examine hyperfine interactions in Ta-doped hafnium dioxide. Although the properties of monoclinic HfO2 have been the subject of several earlier studies, some aspects remain open. In particular, time dif...

  16. Structural, optical and magnetic properties of cobalt-doped CdSe ...

    Indian Academy of Sciences (India)

    Administrator

    Abstract. Pure and Co-doped CdSe nanoparticles have been synthesized by hydrothermal technique. The ... Keywords. Nanoparticles; dilute magnetic semiconductor; ferromagnetism. ... dium dodecyl sulfate (SDS) was used as a surfactant in.

  17. Thermodynamics of the tetragonal to monoclinic phase transformation in constrained zirconia microcrystals

    International Nuclear Information System (INIS)

    Garvie, R.C.; Swain, M.V.

    1985-01-01

    End-point thermodynamic analyses were made of the tetragonal to monoclinic transformation (t -> m) occurring in ZrO 2 precipitates in a Ca-PSZ alloy and particles in Al 2 O 3 -ZrO 2 composites. Calculated plots of the reciprocal critical size for transformation temperature were in excellent agreement with experiment data for both systems. Contributions to the total free energy change included bulk chemical, dilatational and residual shear strain energies and also interfacial energies. The latter term consisted of contributions from the change in the chemical surface free energy, the presence of twin boundaries in the precipitate (particle) - matrix interfacial energy. The major impediment to the transformation was the shear strain energy which could not be reduced sufficiently by twinning alone. The t -> m reaction proceeded spontaneously when the energy barrier was reduced by the response of the particle - matrix interface. The response comprised loss of coherency and grain boundary microcracking for the Ca/PSZ and Al 2 O 3 -ZrO 2 alloys, respectively. These results are in accord with recent suggestions that either a stress-free strain or a free surface is a necessary condition for the initiation of a martensitic transformation. (author)

  18. Neutron powder investigation of the tetragonal to monoclinic phase transformation in undoped zirconia

    International Nuclear Information System (INIS)

    Boysen, H.; Frey, F.

    1991-01-01

    The tetragonal (t) to monoclinic (m) transformation in pure ZrO 2 was investigated by neutron powder diffraction at temperatures between 1900 K and room temperature. The results of a Rietveld analysis are compared with a previous investigation of the m → t transformation. The t → m transformation takes place near 1200 K (implaying a hysteresis of 300 K) and in a much smaller interval (about 150 K compared with about 600 K in the m → t case). There are no indications of a two-stage process as found for the m → t transformation. The structural parameters of the m phase depend only on temperature while those of the t phase differ at the same temperatures for the forward and reverse transformation. The temperature dependence of the lattice constants suggests an orientational relationship a t parallela m * and c t parallelb m . There are no macrostrains whereas the overall microstrain behaviour is similar in both cases, viz. the large microstrains present in both phases are released within the transformation regime. An analysis of temperature factors and diffuse background suggest dynamical disorder in the t phase and static disorder in the m phase. (orig.)

  19. First principles study of LiAlO2: new dense monoclinic phase under high pressure

    Science.gov (United States)

    Liu, Guangtao; Liu, Hanyu

    2018-03-01

    In this work, we have systematically explored the crystal structures of LiAlO2 at high pressures using crystal structure prediction method in combination with the density functional theory calculations. Besides the reported α, β, γ, δ and ɛ-phases, here we propose a new monoclinic ζ-LiAlO2 (C2/m) structure, which becomes thermodynamically and dynamically stable above 27 GPa. It is found that the cation coordination number increases from 4 to 6 under compression. Consisting of the compact {LiO6} and {AlO6} octahedrons, the newly-discovered ζ-phase possesses a very high density. Further electronic calculations show that LiAlO2 is still an insulator up to 60 GPa, and its bandgap increases upon compression. The present study advances our understanding on the crystal structures and high-pressure phase transitions of LiAlO2 that may trigger applications in multiple areas of industry and provoke more related basic science research.

  20. 13C NMR Chemical Shifts of the Triclinic and Monoclinic Crystal forms of Valinomycin

    International Nuclear Information System (INIS)

    Kameda, Tsunenori; McGeorge, Gary; Orendt, Anita M.; Grant, David M.

    2004-01-01

    Two different crystalline polymorphs of valinomycin, the triclinic and monoclinic forms, have been studied by high resolution, solid state 13 C CP-MAS NMR spectroscopy. Although the two polymorphs of the crystal are remarkably similar, there are distinct differences in the isotropic chemical shifts between the two spectra. For the triclinic form, the carbon chemical shift tensor components for the alpha carbons adjacent to oxygen in the lactic acid and hydroxyisovaleric acid residues and the ester carbonyls of the valine residue were obtained using the FIREMAT experiment. From the measured components, it was found that the behavior of the isotropic chemical shift, δ iso , for valine residue ester carbonyl carbons is predominately influenced by the intermediate component, δ 22 . Additionally it was found that the smallest shift component, δ 33 , for the L-lactic acid (L-Lac) and D-α-hydroxyisovaleric acid (D-Hyi) C α -O carbon was significantly displaced depending upon the nature of individual amino acid residues, and it is the δ 33 component that governs the behavior of δ iso in these alpha carbons

  1. Anisotropy of laser emission in monoclinic, disordered crystal Nd:LYSO.

    Science.gov (United States)

    Zhao, Yongguang; Zhuang, Shidong; Xu, Xiaodong; Xu, Jun; Yu, Haohai; Wang, Zhengping; Xu, Xinguang

    2014-02-10

    Multi-wavelength emissions have been demonstrated in many disordered laser crystals. Improving the emission controllability is crucial for their practical applications. However, it is difficult because the closely adjacent laser components cannot be effectively adjusted by the traditional resonator design. In this paper, the anisotropy of laser emission in a monoclinic, disordered crystal Nd:LuYSiO(5) (Nd:LYSO) is reported for the first time. By selecting crystal orientation, high power laser emission with different wavelengths and polarizations were obtained. For X-cut sample, 1076 nm single-wavelength laser output reached 7.56 W, which will be a useful light source for detecting carbonyl-hemoglobin and nitrite after frequency doubling. For Y- and Z-cut samples, 1076, 1079 nm dual-wavelength laser output reached 10.3 W and 7.61 W, with parallel and orthogonal polarizations, respectively, which are convenient to be used as the generation sources of 0.78 THz wave by type-I or type-II difference frequency. The output characteristic is well explained by a theoretical analysis on the stimulated emission cross-section. The present work reveals that the intrinsic anisotropy in disordered laser crystal can be utilized to elevate the emission controllability. Accordantly, the material's application scopes can be extended.

  2. Piezo-optic and elasto-optic properties of monoclinic triglycine sulfate crystals.

    Science.gov (United States)

    Mytsyk, Bogdan; Demyanyshyn, Natalya; Erba, Alessandro; Shut, Viktor; Mozzharov, Sergey; Kost, Yaroslav; Mys, Oksana; Vlokh, Rostyslav

    2017-12-01

    For the first time, to the best of our knowledge, we have experimentally determined all of the components of the piezo-optic tensor for monoclinic crystals. This has been implemented on a specific example of triglycine sulfate crystals. Based on the results obtained, the complete elasto-optic tensor has been calculated. Acousto-optic figures of merit (AOFMs) have been estimated for the case of acousto-optic interaction occurring in the principal planes of the optical indicatrix ellipsoid and for geometries in which the highest elasto-optic coefficients are involved as effective parameters. It has been found that the highest AOFM value is equal to 6.8×10 -15   s 3 /kg for the case of isotropic acousto-optic interaction with quasi-longitudinal acoustic waves in the principal planes. This AOFM is higher than the corresponding values typical for canonic acousto-optic materials, which are transparent in the deep ultraviolet spectral range.

  3. Anisotropic crystal structure distortion of the monoclinic polymorph of acetaminophen at high hydrostatic pressures.

    Science.gov (United States)

    Boldyreva, E V; Shakhtshneider, T P; Vasilchenko, M A; Ahsbahs, H; Uchtmann, H

    2000-04-01

    The anisotropy of structural distortion of the monoclinic polymorph of acetaminophen induced by hydrostatic pressure up to 4.0 GPa was studied by single-crystal X-ray diffraction in a Merrill-Bassett diamond anvil cell (DAC). The space group (P2(1)/n) and the general structural pattern remained unchanged with pressure. Despite the overall decrease in the molar volume with pressure, the structure expanded in particular crystallographic directions. One of the linear cell parameters (c) passed through a minimum as the pressure increased. The intramolecular bond lengths changed only slightly with pressure, but the changes in the dihedral and torsion angles were very large. The compressibility of the intermolecular hydrogen bonds NH...O and OH...O was measured. NH...O bonds were shown to be slightly more compressible than OH...O bonds. The anisotropy of structural distortion was analysed in detail in relation to the pressure-induced changes in the molecular conformations, to the compression of the hydrogen-bond network, and to the changes in the orientation of molecules with respect to each other in the pleated sheets in the structure. Dirichlet domains were calculated in order to analyse the relative shifts of the centroids of the hydrogen-bonded cycles and of the centroids of the benzene rings with pressure.

  4. Polymethacrylic acid as a new precursor of CuO nanoparticles

    Science.gov (United States)

    Hosny, Nasser Mohammed; Zoromba, Mohamed Shafick

    2012-11-01

    Polymethacrylic acid and its copper complexes have been synthesized and characterized. These complexes have been used as precursors to produce CuO nanoparticles by thermal decomposition in air. The stages of decompositions and the calcination temperature of the precursors have been determined from thermal analyses (TGA). The obtained CuO nanoparticles have been characterized by X-ray diffraction (XRD), scanning tunneling microscopy (STM) and transmission electron microscopy (TEM). XRD showed a monoclinic structure with particle size 8-20 nm for the synthesized copper oxide nanoparticles. These nanoparticles are catalytically active in decomposing hydrogen peroxide and a mechanism of decomposition has been suggested.

  5. Seed-mediated direct growth of CdSe nanoclusters on substrates

    International Nuclear Information System (INIS)

    Pan Shangke; Ebrahim, Shaker; Soliman, Moataz; Qiao Qiquan

    2013-01-01

    Different shapes of CdSe nanostructures were obtained by hydrothermal method with varied Se sources and buffer layers. Hexagonal nanoparticles of CdSe with Wurtzite structure were synthesized from Se powder resource, while CdSe nanoclusters with Wurtzite structure were grown from Na 2 SeO 3 aqueous solution resources at 165 °C using cetyltrimethylammonium bromide as surfactant. Using ZnO nanoparticles as a seed layer, CdSe nanostructures only partially covered the indium tin oxide (ITO) substrates. With ZnO/CdSe quantum dots composite seed layer, CdSe nanostructures fully covered the ITO substrates.

  6. The tetragonal-monoclinic transformations of zirconia studied by small angle neutron scattering and differential thermal analysis

    International Nuclear Information System (INIS)

    Li, Z.; Epperson, J.E.; Fang, Y.; Chan, S.K.

    1992-08-01

    The tetragonal-monoclinic transformations of zirconia have been studied on pristine single crystals and on their cycled crystallites. Two complementary techniques have been used. Small angle neutron scattering experiments were carried out to monitor the degree of completion of a transformation under equilibrium conditions for collections of 20--30 large crystals using the total internal and external surface area as an indicator. Differential thermal analysis experiments were carried out on smaller single-domain crystals of different sizes individually during heating and cooling to measure the rates of latent heat absorption and emission. The investigation establishes the upper limit of stability of the monoclinic phase, the lower limit of stability of the tetragonal phase, and the coexistence temperature between the two phases. The characteristics of the transformations are also inferred from these experiments

  7. Mechanism of the monoclinic-to-tetragonal phase transition induced in zirconia and hafnia by swift heavy ions

    International Nuclear Information System (INIS)

    Benyagoub, Abdenacer

    2005-01-01

    Recent results demonstrated that defect formation or amorphization are not the only structural changes induced by swift heavy ions in crystalline materials and that under certain circumstances crystalline-to-crystalline phase transitions can also occur. For instance, it was found that both zirconia and hafnia transform from the monoclinic to the tetragonal phase with a kinetics involving a double ion impact process. In order to understand the origin of this ion-beam induced phase transition, the behavior of these twin oxides was analyzed and compared. In fact, the likeness of these materials offered the unique opportunity to impose drastic constraints on the possible models proposed to explain the creation of atomic displacements in the wake of swift heavy ions. This comparison clearly suggests that the thermal spike is the most appropriate process which governs the transition from the monoclinic to the tetragonal phase in zirconia and hafnia

  8. Europium doping in monoclinic KYb(WO{sub 4}){sub 2} crystal

    Energy Technology Data Exchange (ETDEWEB)

    Loiko, P.A. [Física i Cristallografia de Materials i Nanomaterials (FiCMA-FiCNA), Universitat Rovira i Virgili (URV), Campus Sescelades, c/ Marcellí Domingo, s/n., Tarragona, Spain E-43007 (Spain); Center for Optical Materials and Technologies (COMT), Belarusian National Technical University, 65/17 Nezavisimosti Ave., Minsk 220013 (Belarus); Vilejshikova, E.V. [Center for Optical Materials and Technologies (COMT), Belarusian National Technical University, 65/17 Nezavisimosti Ave., Minsk 220013 (Belarus); Mateos, X., E-mail: xavier.mateos@urv.cat [Física i Cristallografia de Materials i Nanomaterials (FiCMA-FiCNA), Universitat Rovira i Virgili (URV), Campus Sescelades, c/ Marcellí Domingo, s/n., Tarragona, Spain E-43007 (Spain); Serres, J.M. [Física i Cristallografia de Materials i Nanomaterials (FiCMA-FiCNA), Universitat Rovira i Virgili (URV), Campus Sescelades, c/ Marcellí Domingo, s/n., Tarragona, Spain E-43007 (Spain); Dunina, E.B.; Kornienko, A.A. [Vitebsk State Technological University, 72 Moskovskaya Ave., Vitebsk 210035 (Belarus); Yumashev, K.V. [Center for Optical Materials and Technologies (COMT), Belarusian National Technical University, 65/17 Nezavisimosti Ave., Minsk 220013 (Belarus); Aguiló, M.; Díaz, F. [Física i Cristallografia de Materials i Nanomaterials (FiCMA-FiCNA), Universitat Rovira i Virgili (URV), Campus Sescelades, c/ Marcellí Domingo, s/n., Tarragona, Spain E-43007 (Spain)

    2017-03-15

    We report on a detailed spectroscopic study of Eu{sup 3+} ions in the monoclinic KYb(WO{sub 4}){sub 2} crystal. The polarized room and low-temperature absorption spectra are measured. The maximum σ{sub abs} corresponding to the {sup 7}F{sub 1} → {sup 5}D{sub 1} transition is 1.32×10{sup –20} cm{sup 2} at 534.2 nm with a bandwidth of 0.7 nm (for E||N{sub m}). The Stark sub-levels of the excited mulitplets are determined. A Judd-Ofelt analysis is applied to the Eu{sup 3+}:KYb(WO{sub 4}){sub 2} crystal to determine the probability of spontaneous transitions, radiative lifetimes and luminescence branching ratios. Within the strong configuration interaction (SCI) approximation, the intensity parameters are Ω{sub 2}=4.757, Ω{sub 4}=2.295, Ω{sub 6}=1.644 [10{sup –20} cm{sup 2}] and Δ{sub f}=50160 cm{sup –1}. The radiative lifetime of the {sup 5}D{sub 0} state is 351 µs. The maximum stimulated-emission cross-section corresponding to the {sup 7}F{sub 1} → {sup 5}D{sub 1} transition is 1.44×10{sup –20} cm{sup 2} at 703.2 nm (for E||N{sub m}). Under UV excitation, the Eu{sup 3+}:KYb(WO{sub 4}){sub 2} crystal provides intense red photoluminescence with CIE coordinates, x=0.675, y=0.325.

  9. Infrared studies of the monoclinic-tetragonal phase transition in Pb(Zr,Ti)O3 ceramics

    International Nuclear Information System (INIS)

    Guarany, C A; Pelaio, L H Z; Araujo, E B; Yukimitu, K; Moraes, J C S; Eiras, J A

    2003-01-01

    Recently, the observation of a new monoclinic phase in the PbZr 1-x Ti x O 3 (PZT) system in the vicinity of the morphotropic phase boundary was reported. Investigations of this new phase were reported using different techniques such as high-resolution synchrotron x-ray powder diffraction and Raman spectroscopy. In this work, the monoclinic → tetragonal phase transition in PbZr 0.50 Ti 0.50 O 3 ceramics was studied using infrared spectroscopy between 1000 and 400 cm -1 . The four possible ν 1 -stretching modes (Ti-O and Zr-O stretch) in the BO 6 octahedron in the ABO 3 structure of PZT in this region were monitored as a function of temperature. The lower-frequency mode ν 1 -(Zr-O) remains practically unaltered, while both intermediate ν 1 -(Ti-O) modes decrease linearly as temperature increases from 89 to 263 K. In contrast, the higher-frequency ν 1 -(Ti-O) and ν 1 -(Zr-O) modes present anomalous behaviour around 178 K. The singularity observed at this mode was associated with the monoclinic → tetragonal phase transition in PbZr 0.50 Ti 0.50 O 3 ceramics

  10. Characterization of monoclinic crystals in tablets by pattern-fitting procedure using X-ray powder diffraction data.

    Science.gov (United States)

    Yamamura, Shigeo; Momose, Yasunori

    2003-06-18

    The purpose of this study is to characterize the monoclinic crystals in tablets by using X-ray powder diffraction data and to evaluate the deformation feature of crystals during compression. The monoclinic crystals of acetaminophen and benzoic acid were used as the samples. The observed X-ray diffraction intensities were fitted to the analytic expression, and the fitting parameters, such as the lattice parameters, the peak-width parameters, the preferred orientation parameter and peak asymmetric parameter were optimized by a non-linear least-squares procedure. The Gauss and March distribution functions were used to correct the preferred orientation of crystallites in the tablet. The March function performed better in correcting the modification of diffraction intensity by preferred orientation of crystallites, suggesting that the crystallites in the tablets had fiber texture with axial orientation. Although a broadening of diffraction peaks was observed in acetaminophen tablets with an increase of compression pressure, little broadening was observed in the benzoic tablets. These results suggest that "acetaminophen is a material consolidating by fragmentation of crystalline particles and benzoic acid is a material consolidating by plastic deformation then occurred rearrangement of molecules during compression". A pattern-fitting procedure is the superior method for characterizing the crystalline drugs of monoclinic crystals in the tablets, as well as orthorhombic isoniazid and mannitol crystals reported in the previous paper.

  11. Synthesis of monoclinic Celsian from Coal Fly Ash by using a one-step solid-state reaction process

    Energy Technology Data Exchange (ETDEWEB)

    Long-Gonzalez, D.; Lopez-Cuevas, J.; Gutierrez-Chavarria, C.A.; Pena, P.; Baudin, C.; Turrillas, X. [CINVESTAV, Coahuila (Mexico)

    2010-03-15

    Monoclinic (Celsian) and hexagonal (Hexacelsian) Ba1-xSrxAl{sub 2}Si2O8 solid solutions, where x=0, 0.25, 0.375, 0.5, 0.75 or 1, were synthesized by using Coal Fly Ash (CFA) as main raw material, employing a simple one-step solid-state reaction process involving thermal treatment for 5 h at 850-1300{sup o}C. Fully monoclinic Celsian was obtained at 1200{sup o} C/5 h, for SrO contents of 0.25 {<=} x {<=} 0.75. However, an optimum SrO level of 0.25 {<=} x {<=} 0.375 was recommended for the stabilization of Celsian. These synthesis conditions represent a significant improvement over the higher temperatures, longer times and/or multi-step processes needed to obtain fully monoclinic Celsian, when other raw materials are used for this purpose, according to previous literature. These results were attributed to the role of the chemical and phase constitution of CFA as well as to a likely mineralizing effect of CaO and TiO{sub 2} present in it, which enhanced the Hexacelsian to Celsian conversion.

  12. Effects of precursor on the morphology and size of ZrO2 nanoparticles, synthesized by sol-gel method in non-aqueous medium

    International Nuclear Information System (INIS)

    Siddiqui, Mohammed Rafiq Hussain; Al-Wassil, Abdulaziz Ibrahim; Mahfouz, Refaat Mohamad; Al-Otaibi, Abdullah Mohmmed

    2012-01-01

    Pure zirconium oxide (ZrO 2 ) nanoparticles with diameters 10-25 nm were synthesized from ZrOCl 2 .8H 2 O and Zr(SO 4 )2.H 2 O with benzyl alcohol as non-aqueous solvent medium using sol-gel method. Sodium lauryl sulfate was added as surfactants to control the particle size. The synthesized ZrO 2 nanoparticles have a mixture of tetragonal and monoclinic structure. The XRD showed the purity of obtained ZrO 2 nanoparticles with tetragonal and monoclinic phase and the crystallite size for ZrOCl 2 .8H 2 O precursor was estimated to be 18.1 nm and that from Zr(SO 4 )2.H 2 O was 9.7 nm. The transmission electron microscopy and scanning electron microscopic studies also shows different sizes of nanoparticles and different morphology depending on the precursor used for the synthesis of ZrO 2 nanoparticles. (author)

  13. Two anionically derivatized scandium oxoselenates(IV): ScF[SeO3] and Sc2O2[SeO3

    Science.gov (United States)

    Greiner, Stefan; Chou, Sheng-Chun; Schleid, Thomas

    2017-02-01

    Scandium fluoride oxoselenate(IV) ScF[SeO3] and scandium oxide oxoselenate(IV) Sc2O2[SeO3] could be synthesized through solid-state reactions. ScF[SeO3] was obtained phase-pure, by reacting mixtures of Sc2O3, ScF3 and SeO2 (molar ratio: 1:1:3) together with CsBr as fluxing agent in corundum crucibles embedded into evacuated glassy silica ampoules after firing at 700 °C for seven days. Sc2O2[SeO3] first emerged as by-product during the attempts to synthesize ScCl[SeO3] following aforementioned synthesis route and could later be reproduced from appropriate Sc2O3/SeO3 mixtures. ScF[SeO3] crystallizes monoclinically in space group P21/m with a=406.43(2), b =661.09(4), c=632.35(4) pm, β=93.298(3)° and Z=2. Sc2O2[SeO3] also crystallizes in the monoclinic system, but in space group P21/n with a=786.02(6), b=527.98(4), c=1086.11(8) pm, β=108.672(3)° for Z=4. The crystal structures of both compounds are strongly influenced by the stereochemically active lone pairs of the ψ1-tetrahedral [SeO3]2- anions. They also show partial structures, where the derivatizing F- or O2- anions play an important role. For ScF[SeO3] chains of the composition 2+∞ 1[FS c 2 / 2 ] form from connected [FSc2]5+ dumbbells, while [OSc3]7+ pyramids and [OSc4]10+ tetrahedra units are condensed to layers according to 2+ ∞ 2[O2Sc2 ] in Sc2O2[SeO3].

  14. Structural, mechanical, and electronic properties of monoclinic N{sub 2}H{sub 5}N{sub 3} under pressure

    Energy Technology Data Exchange (ETDEWEB)

    Qi-Jun, Liu; Fu-Sheng, Liu, E-mail: qijunliu@home.swjtu.edu.cn [School of Physical Science and Technology, Southwest Jiaotong University, Key Laboratory of Advanced Technologies of Materials, Ministry of Education of China, Chengdu (China); Bond and Band Engineering Group, Sichuan Provincial Key Laboratory (for Universities) of High Pressure Science and Technology, Southwest Jiaotong University, Chengdu (China); Zheng-Tang, Liu [State Key Laboratory of Solidification Processing, School of Materials Science and Engineering, Northwestern Polytechnical University, Xi' an, (China)

    2015-08-15

    Structural, elastic, mechanical, and electronic properties of monoclinic N{sub 2}H{sub 5}N{sub 3} at zero and high pressure have been investigated using the plane-wave ultrasoft pseudopotential method within the density-functional theory (DFT). The pressure dependences of structural parameters, elastic constants, mechanical properties, band gaps, and density of states of monoclinic N{sub 2}H{sub 5}N{sub 3} have been calculated and discussed. The obtained results show that monoclinic N{sub 2}H{sub 5}N{sub 3} is unstable at pressures exceeding the value 126.1 GPa. The ratio of B/G and the Cauchy’s pressure indicate that monoclinic N{sub 2}H{sub 5}N{sub 3} behaves in ductile nature with pressure ranging from 0 to 200 GPa. (author)

  15. Observation of reduced phase transition temperature in N-doped thermochromic film of monoclinic VO_2

    International Nuclear Information System (INIS)

    Wan, Meinan; Xiong, Mo; Li, Neng; Liu, Baoshun; Wang, Shuo; Ching, Wai-Yim; Zhao, Xiujian

    2017-01-01

    Highlights: • N-doped VO_2(M1) thin films have been synthesized by annealing in NH_3 atmosphere. • The phase purity, microstructure and optical property of VO_2 thin film can be regulated by NH_3 concentration. • First-principles calculations have been carried out to study the mechanism of N-doping on energy band structures of VO_2(M1). • The energy band gaps of VO_2(M1) are tuned by substitution N-doping or interstitial N-doping. - Abstract: Research on monoclinic (M1) phase of VO_2 has attracted a great of interest for smart coating applications due to its exceptional thermochromic property. Herein, we report the results using a novel approach to synthesize N-doped VO_2(M1) thin films with high purity by heat treatment in NH_3 atmosphere. The N dopant in the film can be regulated by varying NH_3 concentration during the annealing process. We find that the N atoms are located at the interstitial sites or substitute oxygen atoms, and the V-N bonds in the VO_2 thin films increase with NH_3 concentration. The metal to insulator transition (MIT) temperature (τ_c_,_h) of the VO_2 thin film is effectively reduced from 80.0 to 62.9 °C, while the solar modulation efficiency (ΔT_s_o_l) and the modulation efficiency at 2000 nm (ΔT_2_0_0_0_n_m) are 7.36% and 55.6% respectively. The band gap of N-doped VO_2 thin films related to MIT (E_g_1) is estimated to be as low as 0.18–0.25 eV whereas the band gap associated with the visible transparency (E_g_2) is about 1.50–1.58 eV. Based on the highly accurate first-principles calculations, the E_g_1 of VO_2 (M1) is reduced after substituted or interstitial N-doping, while the E_g_2 alters with the mode of N-doping, which is excellent agreement with experimental measurement.

  16. Monoclinic α-Bi2O3 photocatalyst for efficient removal of gaseous NO and HCHO under visible light irradiation

    International Nuclear Information System (INIS)

    Ai Zhihui; Huang Yu; Lee Shuncheng; Zhang Lizhi

    2011-01-01

    Research highlights: → We got the monoclinic α-Bi 2 O 3 powders after the calcinations of the plate-like (BiO) 2 CO 3 precursors at 500 deg. C for 4 h. → The synthetic α-Bi 2 O 3 showed high visible light photocatalytic activity for removal of NO and HCHO. - Abstract: The investigation was focused on the visible-light-driven photocatalytic removal of gaseous NO and HCHO at typical indoor air concentration over synthetic α-Bi 2 O 3 . Monoclinic α-Bi 2 O 3 was synthesized via calcination of hydrothermally prepared (BiO) 2 CO 3 precursor at 500 deg. C for 4 h. The synthetic α-Bi 2 O 3 samples were systematically characterized by XRD, SEM, FT-IR, and UV-vis diffuse reflectance spectra (DRS). The optical band gap energy of the resulting α-Bi 2 O 3 was estimated to be 2.72 eV from the UV-vis absorption spectra. Comparing with the commercial Bi 2 O 3 counterpart, the fabricated α-Bi 2 O 3 showed superior visible-light-induced photocatalytic activity on degradation of nitrogen monoxide (NO) and formaldehyde (HCHO) at typical indoor air concentration. No obvious deactivation of synthetic α-Bi 2 O 3 was observed during the prolonged photocatalytic reaction. This work suggests that the synthesized monoclinic α-Bi 2 O 3 with suitable band gap and high activity is promising photocatalyst for indoor air purification.

  17. Optical and magneto-optical properties of the monoclinic phase of the C{sub 70} crystal

    Energy Technology Data Exchange (ETDEWEB)

    Yaghobi, Mojtaba [Islamic Azad University, Ayatollah Amoli Branch, Amol (Iran, Islamic Republic of); Koohi, Ardavan, E-mail: m.yaghoubi@iauamol.ac.i [Plasma Physics and Nuclear Fusion Research School, Nuclear Science and Technology Research Institute, AEOI, Tehran (Iran, Islamic Republic of)

    2010-12-15

    Using the Hartree-Fock (HF) single-excitation configuration interaction (CI) model in conjunction with the local field method, the dielectric tensor, birefringence coefficient, circular dichroism, refractive index and effects of spatial dispersion on the dispersion relation for transverse normal polariton waves of the monoclinic phase of the C{sub 70} crystal are calculated. Our results indicate that the anisotropy of the C{sub 70} molecule remains in C{sub 70} solids. Also, our results on the effect of spatial dispersion, compared with the non-dispersive case, indicate that the coupling of the transverse electromagnetic field with the first and second excitonic states is very weak.

  18. Synthesis and characterization of monoclinic KGd(WO4)2 particles for non-cubic transparent ceramics

    Science.gov (United States)

    Thangaraju, D.; Durairajan, A.; Balaji, D.; Moorthy Babu, S.

    2013-02-01

    Monoclinic KGd(WO4)2 (KGW) particles were synthesized using polymeric metal complex sol-gel synthesis method. The derived particles were made as colloidal suspension form for better rotation of particles to have optimum response for applied magnetic field. The KGW fine particle suspension was prepared using electrostatic repulsion by electrolyte polymer. Prepared suspension was kept at 2 T and particles were settled using electrophoretic sedimentation using pH adjustment. The derived sediment was dried at 100 °C and the properties were characterized using XRD.

  19. Dielectric function and double absorption onset of monoclinic Cu2SnS3

    DEFF Research Database (Denmark)

    Crovetto, Andrea; Chen, Rongzhen; Ettlinger, Rebecca Bolt

    2016-01-01

    In this work, we determine experimentally the dielectric function of monoclinic Cu2SnS3 (CTS) by spectroscopic ellipsometry from 0.7 to 5.9 eV. An experimental approach is proposed to overcome the challenges of extracting the dielectric function of Cu2SnS3 when grown on a glass/Mo substrate...... secondary phases, is not needed to explain such an absorption spectrum. Finally, we show that the absorption coefficient of CTS is particularly large in the near-band gap spectral region when compared to similar photovoltaic materials....

  20. Synthesis of tungsten oxide nanoparticles using a hydrothermal method at ambient pressure

    DEFF Research Database (Denmark)

    Ahmadi, Majid; Younesi, Reza; Guinel, Maxime J-F

    2014-01-01

    ) nanoparticles were synthesized using a simple and inexpensive low temperature and low pressure hydrothermal (HT) method. The precursor solution used for the HT process was prepared by adding hydrochloric acid to diluted sodium tungstate solutions (Na2WO4 center dot 2H(2)O) at temperatures below 5 degrees C...... and then dissolved using oxalic acid. This HT process yielded tungstite (WO3 center dot H2O) nanoparticles with the orthorhombic structure. A heat treatment at temperatures at or above 300 degrees C resulted in a phase transformation to monoclinic WO3, while preserving the nanoparticles morphology. The production...

  1. Crystal structure of RbCe(SeO4)2 · 5H2O

    International Nuclear Information System (INIS)

    Ovanesyan, S.M.; Iskhakova, L.D.; Trunov, V.K.

    1987-01-01

    RbTR(SeO 4 ) 2 x5H 2 O TR=La-Pr are synthesized. Crystal structure of RbCe(SeO 4 ) 2 x5H 2 O is studied. Monoclinic unit parameters are: a=7,200(2), b=8,723(1), c=19,258(6) A, Β=90,88(2), ρ (calc) =3,304 sp.gr. P2 1 /c. Within the structure the Ce nine vertex cages are united by Se(1)- and Se(2)-tetrahedrons in (Ce(SeO 4 ) 2 (H 2 O) 5 ) 2 ∞ n- layers. Some crystal structure regularities of the laminated MTR(EO 4 ) 2 xnH 2 O (M=NH 4 ,K,Rb,Cs; TR=La-Ln, E=S,Se) are considered

  2. Magnetic study of Fe-doped CdSe nanomaterials

    International Nuclear Information System (INIS)

    Das, Sayantani; Banerjee, Sourish; Sinha, T. P.

    2016-01-01

    Nanoparticles of pure and iron (50 %) doped cadmium selenide (CdSe) have been synthesized by soft chemical route. EDAX analysis supports the inclusion of Fe into CdSe nanoparticles. The average particle size of pure and doped CdSe is found to be ∼50 nm from scanning electron microscopy (SEM). Magnetization of the samples are measured under the field cooled (FC) and zero field cooled (ZFC) modes in the temperature range from 5K to 300K applying a magnetic field of 500Oe. Field dependent magnetization (M-H) measurement indicates presence of room temperature (RT) paramagnetism and low temperature (5K) ferromagnetism of the sample.

  3. BiVO4 nanoparticles: Preparation, characterization and photocatalytic activity

    Directory of Open Access Journals (Sweden)

    Venkataraman Sivakumar

    2015-12-01

    Full Text Available Bismuth vanadate (BiVO4 nanoparticles were synthesized by a simple thermal decomposition method. The synthesized bismuth vanadate nanoparticles were characterized by X-ray diffraction analysis, it is found that the synthesized sample belongs to monoclinic BiVO4. Fourier transform infrared spectroscopy confirms the formation of Bi-O bond in the sample. Ultraviolet–Visible (DRS-UV–Visible spectroscopy and photoluminescence spectroscopy reveal the optical property of the BiVO4 nanoparticles. The morphology was identified by both scanning electron microscopy and high-resolution transmission electron microscopy. Further, the photocatalytic activity of BiVO4 nanoparticles was investigated by photodegradation of methylene blue as a model organic pollutant.

  4. Order parameters for symmetry-breaking structural transitions: The tetragonal-monoclinic transition in ZrO2

    Science.gov (United States)

    Thomas, John C.; Van der Ven, Anton

    2017-10-01

    Group/subgroup structural phase transitions are exploited in a wide variety of technologies, including those that rely on shape-memory behavior and on transformation toughening. Here, we introduce an approach to identify symmetry-adapted strain and shuffle order parameters for any group/subgroup structural transition between a high-symmetry parent phase and its symmetrically equivalent low-symmetry product phases. We show that symmetry-adapted atomic shuffle order parameters can be determined by the diagonalization of an orbital covariance matrix, formed by taking the covariance among the atomic displacement vectors of all symmetrically equivalent product phase variants. We use this approach to analyze the technologically important tetragonal to monoclinic structural phase transformation of ZrO2. We explore the energy landscapes, as calculated with density functional theory, along distinct paths that connect m ZrO2 to t ZrO2 and to other m ZrO2 variants. The calculations indicate favorable pairs of variants and reveal intermediate structures likely to exist at coherent twin boundaries and having relatively low deformation energy. We identify crystallographic features of the monoclinic ZrO2 variant that make it very sensitive to shape changing strains.

  5. Determination of Stress Coefficient Terms in Cracked Solids for Monoclinic Materials with Plane Symmetry at x3 = 0

    Science.gov (United States)

    Yuan, F. G.

    1998-01-01

    Determination of all the coefficients in the crack tip field expansion for monoclinic materials under two-dimensional deformation is presented in this report. For monoclinic materials with a plane of material symmetry at x(sub 3) = 0, the in-plane deformation is decoupled from the anti-plane deformation. In the case of in-plane deformation, utilizing conservation laws of elasticity and Betti's reciprocal theorem, together with selected auxiliary fields, T-stress and third-order stress coefficients near the crack tip are evaluated first from path-independent line integrals. To determine the T-stress terms using the J-integral and Betti's reciprocal work theorem, auxiliary fields under a concentrated force and moment acting at the crack tip are used respectively. Through the use of Stroh formalism in anisotropic elasticity, analytical expressions for all the coefficients including the stress intensity factors are derived in a compact form that has surprisingly simple structure in terms of the Barnett-Lothe tensors, L. The solution forms for degenerated materials, orthotropic, and isotropic materials are presented.

  6. Band-to-band transitions, selection rules, effective mass, and excitonic contributions in monoclinic β -Ga2O3

    Science.gov (United States)

    Mock, Alyssa; Korlacki, Rafał; Briley, Chad; Darakchieva, Vanya; Monemar, Bo; Kumagai, Yoshinao; Goto, Ken; Higashiwaki, Masataka; Schubert, Mathias

    2017-12-01

    We employ an eigenpolarization model including the description of direction dependent excitonic effects for rendering critical point structures within the dielectric function tensor of monoclinic β -Ga2O3 yielding a comprehensive analysis of generalized ellipsometry data obtained from 0.75-9 eV. The eigenpolarization model permits complete description of the dielectric response. We obtain, for single-electron and excitonic band-to-band transitions, anisotropic critical point model parameters including their polarization vectors within the monoclinic lattice. We compare our experimental analysis with results from density functional theory calculations performed using the Gaussian-attenuation-Perdew-Burke-Ernzerhof hybrid density functional. We present and discuss the order of the fundamental direct band-to-band transitions and their polarization selection rules, the electron and hole effective mass parameters for the three lowest band-to-band transitions, and their excitonic contributions. We find that the effective masses for holes are highly anisotropic and correlate with the selection rules for the fundamental band-to-band transitions. The observed transitions are polarized close to the direction of the lowest hole effective mass for the valence band participating in the transition.

  7. Nanoscale monoclinic domains in epitaxial SrRuO3 thin films deposited by pulsed laser deposition

    Science.gov (United States)

    Ghica, C.; Negrea, R. F.; Nistor, L. C.; Chirila, C. F.; Pintilie, L.

    2014-07-01

    In this paper, we analyze the structural distortions observed by transmission electron microscopy in thin epitaxial SrRuO3 layers used as bottom electrodes in multiferroic coatings onto SrTiO3 substrates for future multiferroic devices. Regardless of the nature and architecture of the multilayer oxides deposited on the top of the SrRuO3 thin films, selected area electron diffraction patterns systematically revealed the presence of faint diffraction spots appearing in forbidden positions for the SrRuO3 orthorhombic structure. High-resolution transmission electron microscopy (HRTEM) combined with Geometric Phase Analysis (GPA) evidenced the origin of these forbidden diffraction spots in the presence of structurally disordered nanometric domains in the SrRuO3 bottom layers, resulting from a strain-driven phase transformation. The local high compressive strain (-4% ÷ -5%) measured by GPA in the HRTEM images induces a local orthorhombic to monoclinic phase transition by a cooperative rotation of the RuO6 octahedra. A further confirmation of the origin of the forbidden diffraction spots comes from the simulated diffraction patterns obtained from a monoclinic disordered SrRuO3 structure.

  8. Crystal structure of a new monoclinic polymorph of N-(4-methyl-phen-yl)-3-nitro-pyridin-2-amine.

    Science.gov (United States)

    Aznan, Aina Mardia Akhmad; Abdullah, Zanariah; Lee, Vannajan Sanghiran; Tiekink, Edward R T

    2014-08-01

    The title compound, C12H11N3O2, is a second monoclinic polymorph (P21, with Z' = 4) of the previously reported monoclinic (P21/c, with Z' = 2) form [Akhmad Aznan et al. (2010 ▶). Acta Cryst. E66, o2400]. Four independent mol-ecules comprise the asymmetric unit, which have the common features of a syn disposition of the pyridine N atom and the toluene ring, and an intra-molecular amine-nitro N-H⋯O hydrogen bond. The differences between mol-ecules relate to the dihedral angles between the rings which range from 2.92 (19) to 26.24 (19)°. The geometry-optimized structure [B3LYP level of theory and 6-311 g+(d,p) basis set] has the same features except that the entire mol-ecule is planar. In the crystal, the three-dimensional architecture is consolidated by a combination of C-H⋯O, C-H⋯π, nitro-N-O⋯π and π-π inter-actions [inter-centroid distances = 3.649 (2)-3.916 (2) Å].

  9. (BDMCA) Nanoparticles

    African Journals Online (AJOL)

    Erah

    Available online at http://www.tjpr.org. Research Article ... Methods: Nanoparticle formulations were fabricated by a double emulsion solvent evaporation technique using .... Characterization of BDMCA nanoparticles. The nanoparticle ...

  10. Structure of Oxide Nanoparticles in Fe-16Cr MA/ODS Ferritic Steel

    Energy Technology Data Exchange (ETDEWEB)

    Hsiung, L; Fluss, M; Kimura, A

    2010-04-06

    Oxide nanoparticles in Fe-16Cr ODS ferritic steel fabricated by mechanical alloying (MA) method have been examined using high-resolution transmission electron microscopy (HRTEM) techniques. A partial crystallization of oxide nanoparticles was frequently observed in as-fabricated ODS steel. The crystal structure of crystalline oxide particles is identified to be mainly Y{sub 4}Al{sub 2}O{sub 9} (YAM) with a monoclinic structure. Large nanoparticles with a diameter larger than 20 nm tend to be incoherent and have a nearly spherical shape, whereas small nanoparticles with a diameter smaller than 10 nm tend to be coherent or semi-coherent and have faceted boundaries. The oxide nanoparticles become fully crystallized after prolonged annealing at 900 C. These results lead us to propose a three-stage formation mechanism of oxide nanoparticles in MA/ODS steels.

  11. Unique Piezoelectric Properties of the Monoclinic Phase in Pb (Zr ,Ti )O3 Ceramics: Large Lattice Strain and Negligible Domain Switching

    Science.gov (United States)

    Fan, Longlong; Chen, Jun; Ren, Yang; Pan, Zhao; Zhang, Linxing; Xing, Xianran

    2016-01-01

    The origin of the excellent piezoelectric properties at the morphotropic phase boundary is generally attributed to the existence of a monoclinic phase in various piezoelectric systems. However, there exist no experimental studies that reveal the role of the monoclinic phase in the piezoelectric behavior in phase-pure ceramics. In this work, a single monoclinic phase has been identified in Pb (Zr ,Ti )O3 ceramics at room temperature by in situ high-energy synchrotron x-ray diffraction, and its response to electric field has been characterized for the first time. Unique piezoelectric properties of the monoclinic phase in terms of large intrinsic lattice strain and negligible domain switching have been observed. The extensional strain constant d33 and the transverse strain constant d31 are calculated to be 520 and -200 pm /V , respectively. These large piezoelectric coefficients are mainly due to the large intrinsic lattice strain, with very little extrinsic contribution from domain switching. The unique properties of the monoclinic phase provide new insights into the mechanisms responsible for the piezoelectric properties at the morphotropic phase boundary.

  12. Unique Piezoelectric Properties of the Monoclinic Phase in Pb(Zr,Ti)O_{3} Ceramics: Large Lattice Strain and Negligible Domain Switching.

    Science.gov (United States)

    Fan, Longlong; Chen, Jun; Ren, Yang; Pan, Zhao; Zhang, Linxing; Xing, Xianran

    2016-01-15

    The origin of the excellent piezoelectric properties at the morphotropic phase boundary is generally attributed to the existence of a monoclinic phase in various piezoelectric systems. However, there exist no experimental studies that reveal the role of the monoclinic phase in the piezoelectric behavior in phase-pure ceramics. In this work, a single monoclinic phase has been identified in Pb(Zr,Ti)O_{3} ceramics at room temperature by in situ high-energy synchrotron x-ray diffraction, and its response to electric field has been characterized for the first time. Unique piezoelectric properties of the monoclinic phase in terms of large intrinsic lattice strain and negligible domain switching have been observed. The extensional strain constant d_{33} and the transverse strain constant d_{31} are calculated to be 520 and -200  pm/V, respectively. These large piezoelectric coefficients are mainly due to the large intrinsic lattice strain, with very little extrinsic contribution from domain switching. The unique properties of the monoclinic phase provide new insights into the mechanisms responsible for the piezoelectric properties at the morphotropic phase boundary.

  13. The crystal structure of Cu1.78Bi4.73Se8, an N=3 pavonite homologue with a Cu-for-Bi substitution

    DEFF Research Database (Denmark)

    Makovicky, Emil; Søtofte, Inger; Karup-Møller, Sven

    2006-01-01

    Abstract: Cu1.78Bi4.73Se8, synthesized in a dry phase system Cu-Bi-Se at 450 degrees C, is monoclinic, a = 13.759 angstrom, b = 4.168 angstrom, c = 14.683 angstrom, beta = 115.61 degrees, space group C2/m. It is an N = 3 member of the pavonite homologous series, with the composition limits Cu1.96Bi...

  14. Contenha-se, se for capaz

    Directory of Open Access Journals (Sweden)

    Mirna Feitoza Pereira

    2008-11-01

    Full Text Available Em O Instinto da Linguagem, Steven Pinker discorre sobre sua célebre tese: a linguagem não é a mais prodigiosa invenção cultural humana. Ela é uma peça da constituição biológica do cérebro. A linguagem é uma habilidade complexa e especializada, que se desenvolve espontaneamente na criança, sem qualquer esforço consciente ou instrução formal, que se manifesta sem que se perceba sua lógica subjacente, que é qualitativamente a mesma em todo indiví­duo, e que difere de capacidades mais gerais de processamento de informações ou de comportamento inteligente. Para Pinker, a concepção de linguagem como um tipo de instinto transmite a idéia de que as pessoas sabem falar mais ou menos da mesma maneira que as aranhas sabem tecer suas teias. Ele apóia suas idéias em Darwin e Chomsky. Palavras-chave linguagem, gramática universal, evolução Abstract In Language Instinct, Steven Pinker argues about his famous thesis: language is not the most prodigious human cultural invention. It is a distinct piece of the biological constitution of the brain. Language is a complex, specialized skill, which develops spontaneously in the child, without conscious effort or formal instruction. It reveals itself without awareness of its underlying logic, which is qualitatively the same in every individual, and which is distinct from more general abilities of information processing of intelligent behavior. According to Pinker, the conception of language as a kind of instinct conveys the idea that people know how to talk in more or less the same way as spiders know how to spin webs. His thesis is founded in Darwin and Chomsky-s theories. Keywords language, universal grammar, evolution

  15. Thermoelectric properties, crystal and electronic structure of semiconducting RECuSe{sub 2} (RE = Pr, Sm, Gd, Dy and Er)

    Energy Technology Data Exchange (ETDEWEB)

    Esmaeili, Mehdi [Department of Chemistry and Chemical Biology, McMaster University, 1280 Main Street West, Hamilton, Ontario L8S 4M1 (Canada); Tseng, Yu-Chih [CANMET Materials, Natural Resources Canada, 183 Longwood Road South, Hamilton, Ontario L8P 0A5 (Canada); Mozharivskyj, Yurij, E-mail: mozhar@mcmaster.ca [Department of Chemistry and Chemical Biology, McMaster University, 1280 Main Street West, Hamilton, Ontario L8S 4M1 (Canada)

    2014-10-15

    Highlights: • Crystal and electronic structure of monoclinic and trigonal RECuSe{sub 2} phases. • Thermoelectric properties of the RECuSe{sub 2} phases. • Temperature stability of the RECuSe{sub 2} phases. - Abstract: The ternary RECuSe{sub 2} phases have been prepared and structurally characterized. They adopt either a monoclinic structure (P2{sub 1}/c, z = 4) for lighter rare earths (RE = Pr, Sm and Gd) or Cu-disordered trigonal structure for heavier rare-earths (P3{sup ¯}m1, z = 1, RE = Dy and Er). The resistivity and Seebeck coefficient measurements on GdCuSe{sub 2}, DyCuSe{sub 2} and ErCuSe{sub 2} indicate that the studied phases are p-type semiconductors with relatively small activation energies (0.045–0.11 eV). However, their electrical resistivities are too high (0.45–220 Ω cm at room temperature) to make them competitive thermoelectric materials. Electronic structure calculations indicate presence of a band gap in the RECuSe{sub 2} phases.

  16. Thermoelectric properties, crystal and electronic structure of semiconducting RECuSe2 (RE = Pr, Sm, Gd, Dy and Er)

    International Nuclear Information System (INIS)

    Esmaeili, Mehdi; Tseng, Yu-Chih; Mozharivskyj, Yurij

    2014-01-01

    Highlights: • Crystal and electronic structure of monoclinic and trigonal RECuSe 2 phases. • Thermoelectric properties of the RECuSe 2 phases. • Temperature stability of the RECuSe 2 phases. - Abstract: The ternary RECuSe 2 phases have been prepared and structurally characterized. They adopt either a monoclinic structure (P2 1 /c, z = 4) for lighter rare earths (RE = Pr, Sm and Gd) or Cu-disordered trigonal structure for heavier rare-earths (P3 ¯ m1, z = 1, RE = Dy and Er). The resistivity and Seebeck coefficient measurements on GdCuSe 2 , DyCuSe 2 and ErCuSe 2 indicate that the studied phases are p-type semiconductors with relatively small activation energies (0.045–0.11 eV). However, their electrical resistivities are too high (0.45–220 Ω cm at room temperature) to make them competitive thermoelectric materials. Electronic structure calculations indicate presence of a band gap in the RECuSe 2 phases

  17. Elevated temperature dependence of the anisotropic visible-to-ultraviolet dielectric function of monoclinic β-Ga2O3

    Science.gov (United States)

    Mock, A.; VanDerslice, J.; Korlacki, R.; Woollam, J. A.; Schubert, M.

    2018-01-01

    We report on the temperature dependence of the dielectric tensor elements of n-type conductive β-Ga2O3 from 22 °C to 550 °C in the spectral range of 1.5 eV-6.4 eV. We present the temperature dependence of the excitonic and band-to-band transition energy parameters using a previously described eigendielectric summation approach [A. Mock et al., Phys. Rev. B 96, 245205 (2017)]. We utilize a Bose-Einstein analysis of the temperature dependence of the observed transition energies and reveal electron coupling with average phonon temperature in excellent agreement with the average over all longitudinal phonon plasmon coupled modes reported previously [M. Schubert et al., Phys. Rev. B 93, 125209 (2016)]. We also report a linear temperature dependence of the wavelength independent Cauchy expansion coefficient for the anisotropic below-band-gap monoclinic dielectric tensor elements.

  18. Temperature dependent emission characteristics of monoclinic YBO{sub 3}: Eu{sup 3+}/Tb{sup 3+} phosphor

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, Suchinder K., E-mail: suchindersharma@gmail.com [AMO-Physics Division, Physical Research Laboratory, Navrangpura, Ahmedabad 380009 (India); Malik, M. Manzar [Department of Physics, Maulana Azad National Institute of Technology (MANIT), Bhopal (India)

    2016-05-15

    YBO{sub 3}:Eu{sup 3+}/Tb{sup 3+} phosphor samples synthesized by modified combustion method are studied in the present work using powder X-ray diffraction, UV–visible absorption spectroscopy, X-ray excited luminescence spectroscopy and optical parametric oscillator (OPO) based laser excited emission spectroscopy. The temperature dependence of luminescence emission is also studied. The structural analysis suggests that the samples possess monoclinic structure with C2/c space group. The emission maximum was excitation wavelength dependent and prominent emission was observed at 593 nm (241 nm excitation) and 613 nm (300 nm excitation) for YBO{sub 3}:Eu{sup 3+} samples. The prominent magnetic/ electric (593/613 nm) dipole-moment allowed transitions are attributed to the presence of Eu{sup 3+} at different sites. For YBO{sub 3}:Tb{sup 3+} phosphor, 543 nm emission was prominent and had no impact of the cite symmetry. The increase in PL intensity in Eu{sup 3+} doped samples above 225 K is associated with the carrier mobility. An energy level scheme showing the positions of the 4f and 5d energy levels of all divalent and trivalent lanthanide ions relative to the valence and conduction band of the YBO{sub 3} has been constructed opening the possibility of using YBO{sub 3} for other interesting applications. - Highlights: • Synthesis of YBO{sub 3} by modified combustion method using glycine as fuel. • Crystallization in monoclinic phase (rarely investigated). • Eu and Tb doping and investigation of temperature dependent PL. • VRBE diagram generated in YBO{sub 3} to develop new optical materials.

  19. Evidence for existence of functional monoclinic phase in sodium niobate based solid solution by powder neutron diffraction

    Science.gov (United States)

    Mishra, S. K.; Jauhari, Mrinal; Mittal, R.; Krishna, P. S. R.; Reddy, V. R.; Chaplot, S. L.

    2018-04-01

    We have carried out systematic temperature-dependent neutron diffraction measurements in conjunction with dielectric spectroscopy from 6 to 300 K for sodium niobate based compounds (1-x) NaNbO3-xBaTiO3 (NNBTx). The dielectric constant is measured as a function of both temperature and frequency. It shows an anomaly at different temperatures in cooling and heating cycles and exhibits a large thermal hysteresis of ˜150 K for the composition x = 0.03. The dielectric constant is found to be dispersive in nature and suggests a relaxor ferroelectric behavior. In order to explore structural changes as a function of temperature, we analyzed the powder neutron diffraction data for the compositions x = 0.03 and 0.05. Drastic changes are observed in the powder profiles near 2θ ˜ 30.6°, 32.1°, and 34.6° in the diffraction pattern below 200 K during cooling and above 190 K in heating cycles, respectively. The disappearance of superlattice reflection and splitting in main perovskite peaks provide a signature for structural phase transition. We observed stabilization of a monoclinic phase (Cc) at low temperature. This monoclinic phase is believed to provide a flexible polarization rotation and considered to be directly linked to the high performance piezoelectricity in materials. The thermal hysteresis for composition x = 0.03 is larger than that for x = 0.05. This suggests that the addition of BaTiO3 to NaNbO3 suppresses the thermal hysteresis. It is also observed that the structural phase transition temperature decreases upon increasing the dopant concentration.

  20. Imprinting of molecular recognition sites combined with π-donor-acceptor interactions using bis-aniline-crosslinked Au-CdSe/ZnS nanoparticles array on electrodes: Development of electrochemiluminescence sensor for the ultrasensitive and selective detection of 2-methyl-4-chlorophenoxyacetic acid.

    Science.gov (United States)

    Yang, Yukun; Fang, Guozhen; Wang, Xiaomin; Liu, Guiyang; Wang, Shuo

    2016-03-15

    A novel strategy is reported for the fabrication of bis-aniline-crosslinked Au nanoparticles (NPs)-CdSe/ZnS quantum dots (QDs) array composite by facil one-step co-electropolymerization of thioaniline-functionalized AuNPs and thioaniline-functionalized CdSe/ZnS QDs onto thioaniline-functionalized Au elctrodes (AuE). Stable and enhanced cathodic electrochemiluminescence (ECL) of CdSe/ZnS QDs is observed on the modified electrode in neutral solution, suggesting promising applications in ECL sensing. An advanced ECL sensor is explored for detection of 2-methyl-4-chlorophenoxyacetic acid (MCPA) which quenches the ECL signal through electron-transfer pathway. The sensitive determination of MCPA with limit of detection (LOD) of 2.2 nmolL(-1) (S/N=3) is achieved by π-donor-acceptor interactions between MCPA and the bis-aniline bridging units. Impressively, the imprinting of molecular recognition sites into the bis-aniline-crosslinked AuNPs-CdSe/ZnS QDs array yields a functionalized electrode with an extremely sensitive response to MCPA in a linear range of 10 pmolL(-1)-50 μmolL(-1) with a LOD of 4.3 pmolL(-1 ()S/N=3). The proposed ECL sensor with high sensitivity, good selectivity, reproducibility and stability has been successfully applied for the determination of MCPA in real samples with satisfactory recoveries. In this study, ECL sensor combined the merits of QDs-ECL and molecularly imprinting technology is reported for the first time. The developed ECL sensor holds great promise for the fabrication of QDs-based ECL sensors with improved sensitivity and furthermore opens the door to wide applications of QDs-based ECL in food safety and environmental monitoring. Copyright © 2015 Elsevier B.V. All rights reserved.

  1. Future strategy of SE

    International Nuclear Information System (INIS)

    Arcelli, M.

    2006-01-01

    In this presentation author (General Director of Slovenske elektrarne, a. s.) presents structure and investment plans of SE. The feasibility study of construction of the blocks 3 and 4 of the Mochovce NPP is presented

  2. SE-VYZ

    International Nuclear Information System (INIS)

    Anon

    2004-01-01

    On this CD compact disc 6 video-films (A-1 NPP; Bituminization; Cementation; Pressing; The Interim spent fuel storage facility; Transport into the National radioactive waste repository Mochovce; Ignition; and Vitrification). In these films process of radioactive waste treatment in the Bohunice Radioactive Waste Processing Center (SE-VYZ) is presented. 2 presentations about radioactive wastes treatment in the SE-VYZ are included

  3. Anisotropy and phonon modes from analysis of the dielectric function tensor and the inverse dielectric function tensor of monoclinic yttrium orthosilicate

    Science.gov (United States)

    Mock, A.; Korlacki, R.; Knight, S.; Schubert, M.

    2018-04-01

    We determine the frequency dependence of the four independent Cartesian tensor elements of the dielectric function for monoclinic symmetry Y2SiO5 using generalized spectroscopic ellipsometry from 40-1200 cm-1. Three different crystal cuts, each perpendicular to a principle axis, are investigated. We apply our recently described augmentation of lattice anharmonicity onto the eigendielectric displacement vector summation approach [A. Mock et al., Phys. Rev. B 95, 165202 (2017), 10.1103/PhysRevB.95.165202], and we present and demonstrate the application of an eigendielectric displacement loss vector summation approach with anharmonic broadening. We obtain an excellent match between all measured and model-calculated dielectric function tensor elements and all dielectric loss function tensor elements. We obtain 23 Au and 22 Bu symmetry long-wavelength active transverse and longitudinal optical mode parameters including their eigenvector orientation within the monoclinic lattice. We perform density functional theory calculations and obtain 23 Au symmetry and 22 Bu transverse and longitudinal optical mode parameters and their orientation within the monoclinic lattice. We compare our results from ellipsometry and density functional theory and find excellent agreement. We also determine the static and above reststrahlen spectral range dielectric tensor values and find a recently derived generalization of the Lyddane-Sachs-Teller relation for polar phonons in monoclinic symmetry materials satisfied [M. Schubert, Phys Rev. Lett. 117, 215502 (2016), 10.1103/PhysRevLett.117.215502].

  4. Microwave-assisted synthesis of ZnSe of various morphologies using alkylamines as ligating solvent

    International Nuclear Information System (INIS)

    Han Dongmei; Song Chunfeng; Li Xiaoyu

    2009-01-01

    ZnSe nanoparticles were prepared using alkylamines as ligating solvent by microwave-irradiation method. The high-crystalline ZnSe nanomaterials were obtained within 20 min through a simple process. The differences of morphologies in the effect of alkylamines and microwave variables were investigated. The results show that there is an inverse relationship between the size of nanoparticles and the length of the alkylamine. The average sizes were increased with the duration of irradiation time. Microwave-irradiation power affects the sizes and shapes of ZnSe materials because of the movement and polarization of amine molecules under the rapidly changing electric field of the microwave reactor. A further characterization of binding condition on surface of ZnSe nanoparticles by the FTIR absorbance measurements indicates the presence of alkylamine molecules on the surface of ZnSe nanoparticles.

  5. SE debt restructuring plan

    International Nuclear Information System (INIS)

    Janoska, J.

    2003-01-01

    Slovenske elektrarne, a.s. (SE) plans to restructure one's own debts in 2003-2005. Debt restructuring plan is following: 2003: Collection of pre-payment on electricity - 60 million Euro (2.5 billion Slovak crowns), consumer unknown. Own promissory notes in total value of 100 million US$ (3.5 billion Slovak crowns) - in process. Sale of claims worth 2.4 billion Slovak crowns (57.21 million Euro) - negotiations in process. 2003/2004: Restructuring of loans payable IV. quarter 2003 and at the beginning of 2004 in value of 200 million Euro (8.3 billion Slovak crowns). Aim of SE is a new credit payable within 7 years, with instalments payable in the last two to three without any state subsidies. 2005: Loans worth 460 million Euro (189 billion Slovak crowns) will still remain. SE want to negotiate them with banks without state support

  6. Autismos que se 'curan'

    OpenAIRE

    Artigas, Josep, 1948-; Paula Pérez, Isabel, 1970-

    2016-01-01

    Introducción. La investigación sobre el autismo, basada principalmente en el modelo categórico del Manual diagnóstico y estadístico de los trastornos mentales, se ha centrado de forma preferente en la epidemiología, las manifestaciones clínicas, los mecanismos cognitivos y los determinantes biológicos y ambientales; sin embargo, se ha prestado escaso interés a las trayectorias evolutivas, las cuales son decisivas de cara al pronóstico a medio y largo plazo. Objetivo. Revisar el curso evolutiv...

  7. PbSe Nanocrystal Excitonic Solar Cells

    KAUST Repository

    Choi, Joshua J.

    2009-11-11

    We report the design, fabrication, and characterization of colloidal PbSe nanocrystal (NC)-based photovoltaic test structures that exhibit an excitonic solar cell mechanism. Charge extraction from the NC active layer is driven by a photoinduced chemical potential energy gradient at the nanostructured heterojunction. By minimizing perturbation to PbSe NC energy levels and thereby gaining insight into the "intrinsic" photovoltaic properties and charge transfer mechanism of PbSe NC, we show a direct correlation between interfacial energy level offsets and photovoltaic device performance. Size dependent PbSe NC energy levels were determined by cyclic voltammetry and optical spectroscopy and correlated to photovoltaic measurements. Photovoltaic test structures were fabricated from PbSe NC films sandwiched between layers of ZnO nanoparticles and PEDOT:PSS as electron and hole transporting elements, respectively. The device current-voltage characteristics suggest a charge separation mechanism that Is distinct from previously reported Schottky devices and consistent with signatures of excitonic solar cells. Remarkably, despite the limitation of planar junction structure, and without film thickness optimization, the best performing device shows a 1-sun power conversion efficiency of 3.4%, ranking among the highest performing NC-based solar cells reported to date. © 2009 American Chemical Society.

  8. Electronic structure of nanoparticles of substoichometric hexagonal tungsten oxides

    International Nuclear Information System (INIS)

    Khyzhun, O Y; Solonin, Y M

    2007-01-01

    X-ray photoelectron spectroscopy (XPS), X-ray emission spectroscopy (XES) and X-ray absorption spectroscopy (XAS) methods were used to study the electronic structure of hexagonal h-WO 3 and h-WO 2.8 nanoparticles. For comparison, nanopowder substoichiometric monoclinic tungsten oxides with close content of oxygen atoms, namely m-WO 3 and m-WO 2.77 compounds, were also investigated. For the mentioned oxides, XPS valence-band and corelevel spectra, XES O Kα bands and XAS W L III and O 1s edges were derived. The XPS valence-band spectra and O Kα emission bands in the mentioned hexagonal and monoclinic tungsten oxides were compared on a common energy scale. Both the O Kα bands and XPS valence-band spectra broaden somewhat in the sequences h-WO 3 → h-WO 2.8 and m-WO 3 → m-WO 2.77 , with the half-widths of the spectra being somewhat higher for the hexagonal oxides as compared with those for the monoclinic compounds. The effective positive charge state of tungsten atoms in h-WO 2.8 is very close to that in m-WO 2.77 , but the negative charge states of oxygen atoms are close to each other for all the tungsten oxides under consideration

  9. Cs[FeSe{sub 2}], Cs{sub 3}[FeSe{sub 2}]{sub 2}, and Cs{sub 7}[Fe{sub 4}Se{sub 8}]. Missing links of known chalcogenido ferrate series

    Energy Technology Data Exchange (ETDEWEB)

    Stueble, Pirmin; Roehr, Caroline [Institut fuer Anorganische und Analytische Chemie, Universitaet Freiburg (Germany)

    2017-11-17

    The three cesium selenido ferrate title compounds with an Se:Fe ratio of 2:1 were synthesized from stoichiometric samples reacting elemental Cs either (A) with Fe and Se in a double-crucible setup (Cs[FeSe{sub 2}], Cs{sub 3}[FeSe{sub 2}]{sub 2}) or (B) with previously prepared FeSe{sub 2} (Cs{sub 3}[FeSe{sub 2}]{sub 2}, Cs{sub 7}[Fe{sub 4}S{sub 8}]) (T{sub max} = 800-1000 C). The pure Fe{sup III} ferrate Cs[FeSe{sub 2}] crystallizes in the Tl[FeSe{sub 2}] type [monoclinic, space group C2/m, a = 1392.95(10), b = 564.43(3), c = 737.44(6) pm, β = 119.163(5) , Z = 4, R{sub 1} = 0.0550]. It is thus not isotypic to all other alkali ferrates(III) A[FeS{sub 2}] and A[FeSe{sub 2}] containing chains of edge-sharing tetrahedra, but crystallizes in a t2 subgroup of the Immm structure of Cs[FeS{sub 2}]. The mixed-valent chain compound Cs{sub 3}[FeSe{sub 2}]{sub 2} is isotypic to its sulfido analogue [orthorhombic, space group Pnma, a = 777.88(6), b = 1151.02(6), c = 1341.61(7) pm, Z = 4, R{sub 1} = 0.0470]. In contrast to the isopunctal Na{sub 3}[FeSe{sub 2}]{sub 2} type K/Rb compounds the chains are only slightly corrugated. The monoclinic, likewise mixed-valent Fe{sup II/III} selenido ferrate Cs{sub 7}[Fe{sub 4}Se{sub 8}] [monoclinic, space group C2/c, a = 1953.79(10), b = 879.71(5), c = 1717.03(10) pm, β = 117.890(2) , Z = 4, R{sub 1} = 0.0816] is isostructural both to the cesium sulfido and tellurido compound. The structure contains oligomeric moieties of four edge sharing [FeSe{sub 4}] tetrahedra forming slightly distorted tetrahedral clusters [Fe{sub 4}Se{sub 8}]{sup 7-}, which are surrounded by a cube of 26 Cs cations. Based on a structure map, the crystal chemistry of the three title compounds is discussed together with all chain/cluster ferrates of the general series A{sub 1+x}[Fe{sup III}{sub 1-x}Fe{sup II}{sub x}Q{sub 2}] (x = 0-1; A = Na, K, Rb, Cs; Q = S, Se, Te). (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  10. NH4In(SeO4)2x4H2O crystal structure interpretation

    International Nuclear Information System (INIS)

    Soldatov, E.A.; Kuz'min, Eh.A.; Ilyukhin, V.V.

    1979-01-01

    The rhomb method has been applied to interpret the structure of monoclinic ammonium indium selenate NH 4 In(SeO 4 ) 2 x4H 2 O the elementary cell of which contains Z=4 formula units (a=10.728, b=9.434, c=11.086 A, γ=101.58). The space group is P2 1 /b. The structure foundation is composed of [In(SeO 4 ) 2 x2H 2 O] 1- mixed layers parallel to (100). ''Free'' H 2 O molecules and NH 4 + cations are situated between the layers

  11. Predicting suitable optoelectronic properties of monoclinic VON semiconductor crystals for photovoltaics using accurate first-principles computations

    KAUST Repository

    Harb, Moussab

    2015-01-01

    Using accurate first-principles quantum calculations based on DFT (including the perturbation theory DFPT) with the range-separated hybrid HSE06 exchange-correlation functional, we predict essential fundamental properties (such as bandgap, optical absorption coefficient, dielectric constant, charge carrier effective masses and exciton binding energy) of two stable monoclinic vanadium oxynitride (VON) semiconductor crystals for solar energy conversion applications. In addition to the predicted band gaps in the optimal range for making single-junction solar cells, both polymorphs exhibit relatively high absorption efficiencies in the visible range, high dielectric constants, high charge carrier mobilities and much lower exciton binding energies than the thermal energy at room temperature. Moreover, their optical absorption, dielectric and exciton dissociation properties are found to be better than those obtained for semiconductors frequently utilized in photovoltaic devices like Si, CdTe and GaAs. These novel results offer a great opportunity for this stoichiometric VON material to be properly synthesized and considered as a new good candidate for photovoltaic applications.

  12. Predicting suitable optoelectronic properties of monoclinic VON semiconductor crystals for photovoltaics using accurate first-principles computations

    KAUST Repository

    Harb, Moussab

    2015-08-26

    Using accurate first-principles quantum calculations based on DFT (including the perturbation theory DFPT) with the range-separated hybrid HSE06 exchange-correlation functional, we predict essential fundamental properties (such as bandgap, optical absorption coefficient, dielectric constant, charge carrier effective masses and exciton binding energy) of two stable monoclinic vanadium oxynitride (VON) semiconductor crystals for solar energy conversion applications. In addition to the predicted band gaps in the optimal range for making single-junction solar cells, both polymorphs exhibit relatively high absorption efficiencies in the visible range, high dielectric constants, high charge carrier mobilities and much lower exciton binding energies than the thermal energy at room temperature. Moreover, their optical absorption, dielectric and exciton dissociation properties are found to be better than those obtained for semiconductors frequently utilized in photovoltaic devices like Si, CdTe and GaAs. These novel results offer a great opportunity for this stoichiometric VON material to be properly synthesized and considered as a new good candidate for photovoltaic applications.

  13. In situ disordering of monoclinic titanium monoxide Ti5O5 studied by transmission electron microscope TEM.

    Science.gov (United States)

    Rempel, А А; Van Renterghem, W; Valeeva, А А; Verwerft, M; Van den Berghe, S

    2017-09-07

    The superlattice and domain structures exhibited by ordered titanium monoxide Ti 5 O 5 are disrupted by low energy electron beam irradiation. The effect is attributed to the disordering of the oxygen and titanium sublattices. This disordering is caused by the displacement of both oxygen and titanium atoms by the incident electrons and results in a phase transformation of the monoclinic phase Ti 5 O 5 into cubic B1 titanium monoxide. In order to determine the energies required for the displacement of titanium or oxygen atoms, i.e. threshold displacement energies, a systematic study of the disappearance of superstructure reflections with increasing electron energy and electron bombardment dose has been performed in situ in a transmission electron microscope (TEM). An incident electron energy threshold between 120 and 140 keV has been observed. This threshold can be ascribed to the displacements of titanium atoms with 4 as well as with 5 oxygen atoms as nearest neighbors. The displacement threshold energy of titanium atoms in Ti 5 O 5 corresponding with the observed incident electron threshold energy lies between 6.0 and 7.5 eV. This surprisingly low value can be explained by the presence of either one or two vacant oxygen lattice sites in the nearest neighbors of all titanium atoms.

  14. The monoclinic superstructure of the M2Pt6Al15 series (M=Ca, Sc, Y, La, Lu)

    International Nuclear Information System (INIS)

    Radzieowski, Mathis; Stegemann, Frank; Hoffmann, Rolf-Dieter; Janka, Oliver; Oldenburg Univ.

    2017-01-01

    The five ternary intermetallic compounds M 2 Pt 6 Al 15 (M=Ca, Sc, Y, La, Lu) were prepared from the elements by arc-melting. The crystal structure was determined via single crystal X-ray diffraction. The title compounds crystallize in a superstructure of the RE 0.67 Pt 2 Al 5 type structure (P6 3 /mmc) in the monoclinic crystal system with space group P12 1 /m1 (Sc 2 Pt 6 Al 15 : a=734.19(2), b=1628.96(10), c=734.19(2) pm, β=119.999(3) ; wR=0.0356, 3034 F 2 values, 68 variables). The superstructure can be derived by the superspace formalism using (3+2)D or (3+1)D interpretations of the diffraction data. The structural relation to the subcell structure is discussed on the basis of a group-subgroup scheme. In the crystal structure strongly bonded [Pt 2 Al 4 ] δ- slabs are alternatingly stacked with ordered layers containing M atoms and Al 3 triangles.

  15. Se comunican los investigadores

    OpenAIRE

    Rafael Roncagliolo

    2015-01-01

    En Brasil se reunieron los investigadores de la comunicación de América Latina y del mundo (1992) El encuentro Latinoamericano fue en Embú-Guacú, poblado de la periferia de Sao Paulo, y el encuentro Mundial en Guarujá, balneario cercano al Puerto de Santos. La amplitud de la participación y la diversidad de temas y enfoques son indicios del desarrollo y dinamismo de la profesión.

  16. Se comunican los investigadores

    Directory of Open Access Journals (Sweden)

    Rafael Roncagliolo

    2015-01-01

    Full Text Available En Brasil se reunieron los investigadores de la comunicación de América Latina y del mundo (1992 El encuentro Latinoamericano fue en Embú-Guacú, poblado de la periferia de Sao Paulo, y el encuentro Mundial en Guarujá, balneario cercano al Puerto de Santos. La amplitud de la participación y la diversidad de temas y enfoques son indicios del desarrollo y dinamismo de la profesión.

  17. Electrodeposition and Thermoelectric Properties of Cu-Se Binary Compound Films

    Science.gov (United States)

    Yang, Mengqian; Shen, Zhengwu; Liu, Xiaoqing; Wang, Wei

    2016-03-01

    Cu-Se binary compound films have been prepared by electrodeposition from solutions containing CuSO4, H2SeO3, and H2SO4 and their composition, structure, and thermoelectric performance analyzed. Moving the depositing potential negatively increased the Cu content in the film, remarkably so for relatively low Cu2+ concentration in the solution. X-ray diffraction analysis showed that the phase composition of the films varied with their Cu content. Cu-Se binary compound films electrodeposited from solutions with different concentration ratios of CuSO4 to H2SeO3 showed two different phases: α-Cu2- x Se (monoclinic) with Se content in the range of 33.3 at.% to 33.8 at.%, and β-Cu2Se (cubic) with Se content in the range of 35.3 at.% to 36.0 at.%. The highest power factor for electrodeposited Cu2- x Se film was 0.13 mW/(K2 m) with Seebeck coefficient of 56.0 μV/K.

  18. Green wet chemical route to synthesize capped CdSe quantum dots

    Indian Academy of Sciences (India)

    In the present work, we report green synthesis of tartaric acid (TA) and triethanolamine (TEA) capped ... CdSe quantum dots; chemical bath deposition; capping; green chemistry; nanomaterials. 1. .... at high concentration of nanoparticles.

  19. Synthesis and crystal structure of a new neodymium(III) selenate-selenite: Nd2(SeO4)(SeO3)2(H2O)2

    International Nuclear Information System (INIS)

    Feng Meiling; Mao Jianggao

    2005-01-01

    The title new neodymium(III) selenate-selenite was obtained by hydrothermal reactions of neodymium(III) oxide, H 2 SeO 4 and 1,10-phenanthroline at 140 o C. Its structure was established by single-crystal X-ray diffraction. The title compound crystallizes in the monoclinic space group C2/c with cell parameters of a = 12.258(2) A, b 7.1024(15) A, c = 13.391(3) A, β = 104.250(2) o . The structure of Nd 2 (SeO 4 )(SeO 3 ) 2 (H 2 O) 2 is isomorphous with that of Er 2 (SeO 4 )(SeO 3 ) 2 (H 2 O) 2 , which was refined in the monoclinic space group C2 with the disordered selenate group. It features an ordered 3D network with channels along b-axis. The selenate or selenite groups alone can form a 2D layer with the Nd(III) ions. IR spectrum, TGA and luminescent studies have also been performed

  20. Temperature dependence of the dielectric tensor of monoclinic Ga2O3 single crystals in the spectral range 1.0-8.5 eV

    Science.gov (United States)

    Sturm, C.; Schmidt-Grund, R.; Zviagin, V.; Grundmann, M.

    2017-08-01

    The full dielectric tensor of monoclinic Ga2O3 (β-phase) was determined by generalized spectroscopic ellipsometry in the spectral range from 1.0 eV up to 8.5 eV and temperatures in the range from 10 K up to 300 K. By using the oriented dipole approach, the energies and broadenings of the excitonic transitions are determined as a function of the temperature, and the exciton-phonon coupling properties are deduced.

  1. Lifting the geometric frustration through a monoclinic distortion in “114” YBaFe4O7.0: Magnetism and transport

    International Nuclear Information System (INIS)

    Duffort, V.; Sarkar, T.; Caignaert, V.; Pralong, V.; Raveau, B.; Avdeev, M.; Cervellino, A.; Waerenborgh, J.C.; Tsipis, E.V.

    2013-01-01

    The possibility to lift the geometric frustration in the “114” stoichiomeric tetragonal oxide YBaFe 4 O 7.0 by decreasing the temperature has been investigated using neutron and synchrotron powder diffraction techniques. Besides the structural transition from tetragonal to monoclinic symmetry that appears at T S =180 K, a magnetic transition is observed below T N =95 K. The latter corresponds to a lifting of the 3D geometric frustration toward an antiferromagnetic long range ordering, never observed to date in a cubic based “114’” oxide. The magnetic structure, characterized by the propagation vector k 1 =(0,0,½), shows that one iron Fe2 exhibits a larger magnetic moment than the three others, suggesting a possible charge ordering according to the formula YBaFe 3+ Fe 3 2+ O 7.0 . The magnetic M(T) and χ′(T) curves, in agreement with neutron data, confirm the structural and magnetic transitions and evidence the coexistence of residual magnetic frustration. Moreover, the transport measurements show a resistive transition from a thermally activated conduction mechanism to a variable range hopping mechanism at T S =180 K, with a significant increase of the dependence of the resistivity vs. temperature. Mössbauer spectroscopy clearly evidences a change in the electronic configuration of the iron framework at the structural transition as well as coexistence of several oxidation states. The role of barium underbonding in these transitions is discussed. - Graphical abstract: Atomic displacements at the tetragonal-monoclinic transition in YBaFe 4 O 7 . Display Omitted - Highlights: • The structural and magnetic phase transitions of YBaFe 4 O 7 were studied below room temperature. • The tetragonal to monoclinic transition, characterized by NPD and SXRD, was studied using mode crystallography approach. • Monoclinic distortion allows the lifting of the geometrical frustration on the iron sublattice, leading to AF order at T=95 K

  2. Interpretation of monoclinic hafnia valence electron energy-loss spectra by time-dependent density functional theory

    Science.gov (United States)

    Hung, L.; Guedj, C.; Bernier, N.; Blaise, P.; Olevano, V.; Sottile, F.

    2016-04-01

    We present the valence electron energy-loss spectrum and the dielectric function of monoclinic hafnia (m -HfO2) obtained from time-dependent density-functional theory (TDDFT) predictions and compared to energy-filtered spectroscopic imaging measurements in a high-resolution transmission-electron microscope. Fermi's golden rule density-functional theory (DFT) calculations can capture the qualitative features of the energy-loss spectrum, but we find that TDDFT, which accounts for local-field effects, provides nearly quantitative agreement with experiment. Using the DFT density of states and TDDFT dielectric functions, we characterize the excitations that result in the m -HfO2 energy-loss spectrum. The sole plasmon occurs between 13 and 16 eV, although the peaks ˜28 and above 40 eV are also due to collective excitations. We furthermore elaborate on the first-principles techniques used, their accuracy, and remaining discrepancies among spectra. More specifically, we assess the influence of Hf semicore electrons (5 p and 4 f ) on the energy-loss spectrum, and find that the inclusion of transitions from the 4 f band damps the energy-loss intensity in the region above 13 eV. We study the impact of many-body effects in a DFT framework using the adiabatic local-density approximation (ALDA) exchange-correlation kernel, as well as from a many-body perspective using "scissors operators" matched to an ab initio G W calculation to account for self-energy corrections. These results demonstrate some cancellation of errors between self-energy and excitonic effects, even for excitations from the Hf 4 f shell. We also simulate the dispersion with increasing momentum transfer for plasmon and collective excitation peaks.

  3. The processing of CdSe/Polymer nanocomposites via solution organometallic chemistry

    International Nuclear Information System (INIS)

    Khanna, P.K.; Singh, Narendra; Charan, Shobhit; Lonkar, Sunil P.; Reddy, A. Satyanarayana; Patil, Yogesh; Viswanath, A. Kasi

    2006-01-01

    This paper presents in situ preparation of CdSe nanoparticles using poly(vinyl alcohol) [PVA] and polymethylmethacrylate [PMMA] as matrices by use of organoselenium compound. Reaction of cadmium metal salt and 1,2,3-selenadiazole (the source of selenium) enabled formation of CdSe nanoparticles. Use of selenadiazole in the present work with polymer is first of its kind. The radical polymerization of methycrylate monomer with benzoyl peroxide followed by reaction of respective reagents have been successfully employed to synthesize CdSe/PMMA nanocomposite. Similarly, reaction between selenadiazole and cadmium metal salt in aq. PVA yielded polymer coated or mixed CdSe nanoparticles. The UV-vis absorption spectra showed blue shift of about 200 nm with respect to band-gap energy of bulk CdSe, due to size quantization effect in CdSe particles. An emission band was observed at 530 nm in photoluminescence spectrum (PL) of CdSe/PMMA. IR spectra indicated shifts in the values of the polymer functional group due to nanoparticles. X-ray measurement of CdSe/Polymer nano-composites showed broad pattern for cubic CdSe and particle size of CdSe was estimated to be <10 nm. TGA revealed gradual weight loss between 200 and 400 deg. C indicating increased thermal stability of the polymer

  4. ZnSe/ZnSeTe Superlattice Nanotips

    Directory of Open Access Journals (Sweden)

    Young SJ

    2010-01-01

    Full Text Available Abstract The authors report the growth of ZnSe/ZnSeTe superlattice nanotips on oxidized Si(100 substrate. It was found the nanotips exhibit mixture of cubic zinc-blende and hexagonal wurtzite structures. It was also found that photoluminescence intensities observed from the ZnSe/ZnSeTe superlattice nanotips were much larger than that observed from the homogeneous ZnSeTe nanotips. Furthermore, it was found that activation energies for the ZnSe/ZnSeTe superlattice nanotips with well widths of 16, 20, and 24 nm were 76, 46, and 19 meV, respectively.

  5. Thermodynamic properties of solid solutions in the system Ag2S–Ag2Se

    International Nuclear Information System (INIS)

    Pal’yanova, G.A.; Chudnenko, K.V.; Zhuravkova, T.V.

    2014-01-01

    We have summarized experimental data on the phase diagram of the system Ag 2 S–Ag 2 Se. Standard thermodynamic functions of four solid solutions in this system have been calculated using the model of regular and subregular solutions: a restricted fcc solid solution γ-Ag 2 S-Ag 2 S 1−x Se x (x 2 S–Ag 2 Se, monoclinic solid solution (α) from Ag 2 S to Ag 2 S 0.4 Se 0.6 , and orthorhombic solid solution (α) from Ag 2 S 0.3 Se 0.7 to the Ag 2 Se. G mix and S mix have been evaluated using the subregular model for asymmetric solution for the region Ag 2 S 0.4 Se 0.6 –Ag 2 S 0.3 Se 0.7 . The thermodynamic data can be used for modeling in complex natural systems and in matters of semiconductor materials

  6. Structure of ferroelastic K3H(SeO4)2

    International Nuclear Information System (INIS)

    Ichikawa, M.; Sato, S.; Komukae, M.; Osaka, T.

    1992-01-01

    Tripotassium hydrogenbis(selenate), K 3 H(SeO 4 ) 2 , M r = 404.2, monoclinic, A2/a, a = 10.1291 (8), b = 5.9038 (5), c = 14.961 (1) A, β = 103.640 (8) 0 , V = 869.5 (1) A 3 , Z = 4, D x = 3.086 Mg m -3 , λ(Mo Kα) = 0.71073 A, μ = 9.86 mm -1 , F(000) = 760, T = 299 K, R(F) = 0.0294 for 1670 unique reflections. K 3 H(SeO 4 ) 2 is isomorphous with most M 3 H(XO 4 ) 2 -type crystals (M=K,Rb and Cs; Cs; X = S and Se); two SeO 4 groups are connected by a crystallographically symmetric hydrogen bond into a dimer. The bond distances and angles in the SeO 4 group are similar to those in Rb 3 H(SeO 4 ) 2 and Rb 3 D(SeO 4 ) 2 . The hydrogen-bond length, 2.524 (5) A, is the shortest among the members of the M 3 H(SeO 4 ) 2 family exhibiting the low-temperature phase transition. (orig.)

  7. Ag{sub 3}PO{sub 4} nanocrystals deposited on monoclinic olive-like BiVO{sub 4} with efficient photodegradation of organic dyes under visible light irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Jingshuai, E-mail: chen-jshuai@ahu.edu.cn; Jiang, Liang-Liang; Liu, Xing-Pei; Mao, Chang-Jie, E-mail: maochangjie@sina.com; Song, Ji-Ming; Niu, Helin; Zhang, Shengyi [Anhui University, School of Chemistry and Chemical Engineering (China)

    2017-05-15

    Olive-like BiVO{sub 4} microstructures with lengths of 600–1000 nm and widths of 300–600 nm have been synthesized via a facile and additive-free solvothermal method. Studies find that the type of solvent plays an important role in the morphology of the final products. Furthermore, Ag{sub 3}PO{sub 4} nanocrystals are successfully deposited on monoclinic olive-like BiVO{sub 4} via in situ precipitation method. The as-synthesized samples were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), high resolution transmission electron microscopy (HRTEM), photoluminescence (PL) spectra, and UV–vis diffuse reflectance spectra (DRS). The photocatalytic activities of the catalysts are evaluated by degradation of rhodamine B (RhB) and methylene blue (MB) under visible light (≥420 nm) irradiation. The experimental results suggest that catalytic activity of the composite photocatalysts is greatly influenced by the loading level of Ag{sub 3}PO{sub 4}. The molar ratio of 0.8:1.0 Ag{sub 3}PO{sub 4}-loaded BiVO{sub 4} exhibits higher photocatalytic activity in both the decolorization of RhB and MB than that of individual BiVO{sub 4} and P25. The observed improvement in photocatalytic activity is associated with the extended absorption in the visible light region resulting from the Ag{sub 3}PO{sub 4} nanoparticles, and the effective separation of photogenerated carriers at the Ag{sub 3}PO{sub 4}/BiVO{sub 4} interfaces through the formation of heterojunction structure. The study provides a general and effective method in the fabrication of composite with sound heterojunctions that may show a variety of applications.

  8. Growth kinetics of tetragonal and monoclinic ZrO2 crystallites in 3 mol% yttria partially stabilized ZrO2 (3Y-PSZ) precursor powder

    International Nuclear Information System (INIS)

    Kuo, Chih-Wei; Lee, Kuen-Chan; Yen, Feng-Lin; Shen, Yun-Hwei; Lee, Huey-Er; Wen, Shaw-Bing; Wang, Moo-Chin; Stack, Margaret Mary

    2014-01-01

    Highlights: • The crystalline structures were composed of tetragonal and monoclinic ZrO 2 . • Growth kinetics of t-ZrO 2 in the 3Y-PSZ precursor powder is described as: D te 2 =(4.57±0.55)t 0.12±0.02 exp(-((24.79±0.38)×10 3 )/(RT) ). • Growth kinetics of m-ZrO 2 in the 3Y-PSZ precursor powder is described as: D m 2 =(4.40±1.63)t 0.17±0.08 exp(-((66.47±3.97)×10 3 )/(RT) ). - Abstract: The growth kinetics of tetragonal and monoclinic ZrO 2 crystallites in 3 mol% yttria partially stabilized ZrO 2 (3Y-PSZ) precursor powder has been investigated using X-ray diffraction (XRD), Brunauer–Emmett–Teller (BET) specific surface area analysis, transmission electron microscopy (TEM) and high resolution TEM (HRTEM). After calcination of the 3Y-PSZ precursor powder between 773 and 1073 K for 2 h, the crystalline structures were composed of tetragonal and monoclinic ZrO 2 as the primary and secondary phases, respectively. When the 3Y-PSZ precursor powder was calcined at 773 K for 2 h, the BET specific surface area was 97.13 m 2 /g, which is equivalent to a particle size of 10.30 nm. The crystallite sizes determined via XRD and BET agreed well, indicating that the powder was virtually non-agglomerated. The growth kinetics of tetragonal and monoclinic ZrO 2 crystallite isothermal growth in the 3Y-PSZ precursor powder are described by: D te 2 =(4.57±0.55)t 0.12±0.02 exp(-((24.79±0.38)×10 3 )/(RT) ) and D m 2 =(4.40±1.63)t 0.17±0.08 exp(-((66.47±3.97)×10 3 )/(RT) ), respectively, for 773K≤T≤1073K. D te and D m denote the crystallite size of tetragonal and monoclinic ZrO 2 at time t and temperature T, respectively

  9. A Biphasic Ligand Exchange Reaction on Cdse Nanoparticles: Introducing Undergraduates to Functionalizing Nanoparticles for Solar Cells

    Science.gov (United States)

    Zemke, Jennifer M.; Franz, Justin

    2016-01-01

    Semiconductor nanoparticles, including cadmium selenide (CdSe) particles, are attractive as light harvesting materials for solar cells. In the undergraduate laboratory, the size-tunable optical and electronic properties can be easily investigated; however, these nanoparticles (NPs) offer another platform for application-based tunability--the NP…

  10. Interaction of Se and GaSe with Si(111)

    International Nuclear Information System (INIS)

    Meng, Shuang; Schroeder, B. R.; Olmstead, Marjorie A.

    2000-01-01

    Deposition of Se and GaSe on Si(111)7x7 surfaces was studied with low-energy electron diffraction, x-ray photoelectron spectroscopy, and x-ray photoelectron diffraction to probe initial nucleation and interface structure for GaSe/Si(111) heteroepitaxy. Room-temperature deposition of Se on Si(111)7x7 results in an amorphous film. Subsequent annealing leads to Se evaporation without ordering or interdiffusion. Se deposition at 450 degree sign C saturates at submonolayer coverage with no diffusion of Se into the substrate. There is no clear evidence of ordered sites for the Se. Growth of GaSe on Si(111)7x7 above 500 degree sign C results in a pseudomorphic bilayer, with Si-Ga-Se bonding. Additional GaSe does not stick to the bilayer above 525 degree sign C. The resulting Se lone pair at the surface leads to an ideally passivated surface similar to As/Si(111). This stable surface is similar to the layer termination in bulk GaSe. The single domain bilayer is oriented with the Ga-Se bond parallel to the substrate Si-Si bond. (c) 2000 The American Physical Society

  11. AC plasma electrolytic oxidation of magnesium with zirconia nanoparticles

    International Nuclear Information System (INIS)

    Arrabal, R.; Matykina, E.; Viejo, F.; Skeldon, P.; Thompson, G.E.; Merino, M.C.

    2008-01-01

    The incorporation of monoclinic zirconia nanoparticles and their subsequent transformation is examined for coatings formed on magnesium by plasma electrolytic oxidation under AC conditions in silicate electrolyte. The coatings are shown to comprise two main layers, with nanoparticles entering the coating at the coating surface and through short-circuit paths to the region of the interface between the inner and outer coating layers. Under local heating of microdischarges, the zirconia reacts with magnesium species to form Mg 2 Zr 5 O 12 in the outer coating layer. Relatively little zirconium is present in the inner coating layer. In contrast, silicon species are present in both coating layers, with reduced amounts in the inner layer

  12. Synthesis of CdSe Quantum Dots Using Fusarium oxysporum

    Directory of Open Access Journals (Sweden)

    Takaaki Yamaguchi

    2016-10-01

    Full Text Available CdSe quantum dots are often used in industry as fluorescent materials. In this study, CdSe quantum dots were synthesized using Fusarium oxysporum. The cadmium and selenium concentration, pH, and temperature for the culture of F. oxysporum (Fusarium oxysporum were optimized for the synthesis, and the CdSe quantum dots obtained from the mycelial cells of F. oxysporum were observed by transmission electron microscopy. Ultra-thin sections of F. oxysporum showed that the CdSe quantum dots were precipitated in the intracellular space, indicating that cadmium and selenium ions were incorporated into the cell and that the quantum dots were synthesized with intracellular metabolites. To reveal differences in F. oxysporum metabolism, cell extracts of F. oxysporum, before and after CdSe synthesis, were compared using sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE. The results suggested that the amount of superoxide dismutase (SOD decreased after CdSe synthesis. Fluorescence microscopy revealed that cytoplasmic superoxide increased significantly after CdSe synthesis. The accumulation of superoxide may increase the expression of various metabolites that play a role in reducing Se4+ to Se2− and inhibit the aggregation of CdSe to make nanoparticles.

  13. Structure, luminescence, and dynamics of Eu2O3 nanoparticles in MCM-41

    International Nuclear Information System (INIS)

    Chen, Wei; Joly, Alan G.; Kowalchuk, George A.; Malm, Jan-Olle; Huang, Yining; Bovin, Jan-Olov

    2001-01-01

    The structure, luminescence spectroscopy, and lifetime decay dynamics of Eu2O3 nanoparticles formed in MCM-41 have been investigated. Both X-ray diffraction and high resolution transmission electron microscope observations indicate that Eu2O3 nanoparticles of monoclinic structure are formed inside channels of MCM-41 by heating at 140 C. However, heat treatment at 600 and 700 C causes migration of Eu2O3 from the MCM-41 channels forming nanoparticles of cubic structure outside of the MCM-41 channels. The feature of the hypersensitive 5D0? 7F2 emission profile of Eu3+ is used to follow the structural changes. Photoluminescence lifetimes show the existence of short (< 1 microsecond) and long (microsecond to millisecond) components for each sample. The fast decay is attributed to quenching by surface states of the nanoparticles or energy transfer to the MCM-41 while the longer time decays show the effects of concentration quenching. The monoclinic sample prepared at 140 C shows a higher luminescence intensity than the cubic samples or the bulk powder

  14. Liquid-liquid interfacial nanoparticle assemblies

    Science.gov (United States)

    Emrick, Todd S [South Deerfield, MA; Russell, Thomas P [Amherst, MA; Dinsmore, Anthony [Amherst, MA; Skaff, Habib [Amherst, MA; Lin, Yao [Amherst, MA

    2008-12-30

    Self-assembly of nanoparticles at the interface between two fluids, and methods to control such self-assembly process, e.g., the surface density of particles assembling at the interface; to utilize the assembled nanoparticles and their ligands in fabrication of capsules, where the elastic properties of the capsules can be varied from soft to tough; to develop capsules with well-defined porosities for ultimate use as delivery systems; and to develop chemistries whereby multiple ligands or ligands with multiple functionalities can be attached to the nanoparticles to promote the interfacial segregation and assembly of the nanoparticles. Certain embodiments use cadmium selenide (CdSe) nanoparticles, since the photoluminescence of the particles provides a convenient means by which the spatial location and organization of the particles can be probed. However, the systems and methodologies presented here are general and can, with suitable modification of the chemistries, be adapted to any type of nanoparticle.

  15. Observation of reduced phase transition temperature in N-doped thermochromic film of monoclinic VO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Wan, Meinan; Xiong, Mo [State Key Laboratory of Silicate Materials for Architectures, Wuhan University of Technology, Wuhan 430070 (China); Li, Neng, E-mail: lineng@whut.edu.cn [State Key Laboratory of Silicate Materials for Architectures, Wuhan University of Technology, Wuhan 430070 (China); Liu, Baoshun; Wang, Shuo [State Key Laboratory of Silicate Materials for Architectures, Wuhan University of Technology, Wuhan 430070 (China); Ching, Wai-Yim [Department of Physics and Astronomy, University of Missouri-Kansas City, Kansas City, MO 64110 (United States); Zhao, Xiujian, E-mail: opluse@whut.edu.cn [State Key Laboratory of Silicate Materials for Architectures, Wuhan University of Technology, Wuhan 430070 (China)

    2017-07-15

    Highlights: • N-doped VO{sub 2}(M1) thin films have been synthesized by annealing in NH{sub 3} atmosphere. • The phase purity, microstructure and optical property of VO{sub 2} thin film can be regulated by NH{sub 3} concentration. • First-principles calculations have been carried out to study the mechanism of N-doping on energy band structures of VO{sub 2}(M1). • The energy band gaps of VO{sub 2}(M1) are tuned by substitution N-doping or interstitial N-doping. - Abstract: Research on monoclinic (M1) phase of VO{sub 2} has attracted a great of interest for smart coating applications due to its exceptional thermochromic property. Herein, we report the results using a novel approach to synthesize N-doped VO{sub 2}(M1) thin films with high purity by heat treatment in NH{sub 3} atmosphere. The N dopant in the film can be regulated by varying NH{sub 3} concentration during the annealing process. We find that the N atoms are located at the interstitial sites or substitute oxygen atoms, and the V-N bonds in the VO{sub 2} thin films increase with NH{sub 3} concentration. The metal to insulator transition (MIT) temperature (τ{sub c,h}) of the VO{sub 2} thin film is effectively reduced from 80.0 to 62.9 °C, while the solar modulation efficiency (ΔT{sub sol}) and the modulation efficiency at 2000 nm (ΔT{sub 2000nm}) are 7.36% and 55.6% respectively. The band gap of N-doped VO{sub 2} thin films related to MIT (E{sub g1}) is estimated to be as low as 0.18–0.25 eV whereas the band gap associated with the visible transparency (E{sub g2}) is about 1.50–1.58 eV. Based on the highly accurate first-principles calculations, the E{sub g1} of VO{sub 2} (M1) is reduced after substituted or interstitial N-doping, while the E{sub g2} alters with the mode of N-doping, which is excellent agreement with experimental measurement.

  16. (BDMCA) Nanoparticles

    African Journals Online (AJOL)

    Methods: Nanoparticle formulations were fabricated by a double emulsion solvent evaporation technique using polycaprolactone as the polymer. The nanoparticles were characterised for drug content, particles size, in vitro drug release and the drug-polymer interaction. The in vivo properties of the formulations in male ...

  17. Hydrothermal synthesis, structures and optical properties of A2Zn3(SeO3)4·XH2O (A=Li, Na, K; X=2 or 0)

    Science.gov (United States)

    Liu, Yunsheng; Mei, Dajiang; Xu, Jingli; Wu, Yuandong

    2015-12-01

    New alkali metal zinc selenites, A2Zn3(SeO3)4·XH2O (A=Li, Na, K; X=2 or 0) were prepared through hydrothermal reactions. Li2Zn3(SeO3)4·2H2O (1) crystallizes in the monoclinic space group P21/c with lattice parameters a=8.123(4), b=9.139(4), c=7.938(3) Å, β=112.838(9)°. Na2Zn3(SeO3)4·2H2O (2) crystallizes in the monoclinic space group C2/c with lattice parameters a=15.7940(18), b=6.5744(8), c=14.6787(17) Å, β=107.396(3)°. K2Zn3(SeO3)4 (3) crystallizes in the monoclinic space group C2/c with lattice parameters a=11.3584(12), b=8.6091(9), c=13.6816(14) Å, β=93.456(2)°. The anionic structures are composed of [Zn3O12]18- sheets, chains, and "isolated" units in compound 1, 2, 3, respectively, and trigonal pyramids SeO32-. The compounds were characterized by the solid state UV-vis-NIR diffuse reflectance spectroscopy, infrared spectra and thermogravimetric analysis.

  18. Intermetallic nanoparticles

    Science.gov (United States)

    Singh, Dileep; Yusufoglu, Yusuf; Timofeeva, Elena; Routbort, Jules

    2015-07-14

    A process for preparing intermetallic nanoparticles of two or more metals is provided. In particular, the process includes the steps: a) dispersing nanoparticles of a first metal in a solvent to prepare a first metal solution, b) forming a reaction mixture with the first metal solution and a reducing agent, c) heating the reaction mixture to a reaction temperature; and d) adding a second metal solution containing a salt of a second metal to the reaction mixture. During this process, intermetallic nanoparticles, which contain a compound with the first and second metals are formed. The intermetallic nanoparticles with uniform size and a narrow size distribution is also provided. An electrochemical device such as a battery with the intermetallic nanoparticles is also provided.

  19. Formation of a Colloidal CdSe and ZnSe Quantum Dots via a Gamma Radiolytic Technique

    Directory of Open Access Journals (Sweden)

    Aeshah Salem

    2016-09-01

    Full Text Available Colloidal cadmium selenide (CdSe and zinc selenide (ZnSe quantum dots with a hexagonal structure were synthesized by irradiating an aqueous solution containing metal precursors, poly (vinyl pyrrolidone, isopropyl alcohol, and organic solvents with 1.25-MeV gamma rays at a dose of 120 kGy. The radiolytic processes occurring in water result in the nucleation of particles, which leads to the growth of the quantum dots. The physical properties of the CdSe and ZnSe nanoparticles were measured by various characterization techniques. X-ray diffraction (XRD was used to confirm the nanocrystalline structure, energy-dispersive X-ray spectroscopy (EDX was used to estimate the material composition of the samples, transmission electron microscopy (TEM was used to determine the morphologies and average particle size distribution, and UV-visible spectroscopy was used to measure the optical absorption spectra, from which the band gap of the CdSe and ZnSe nanoparticles could be deduced.

  20. Thio-, selenido-, and telluridogermanates(III): K/sub 6/Ge/sub 2/S/sub 6/, K/sub 6/Ge/sub 2/Se/sub 6/, and Na/sub 6/Ge/sub 2/Te/sub 6/

    Energy Technology Data Exchange (ETDEWEB)

    Eisenmann, B; Kieselbach, E; Schaefer, H; Schrod, H [Technische Hochschule Darmstadt (Germany, F.R.). Fachbereich Anorganische Chemie und Kernchemie

    1984-09-01

    The new compounds K/sub 6/Ge/sub 2/S/sub 6/ and K/sub 6/Ge/sub 2/Se/sub 6/ crystallize in the monoclinic system, space group C2/m (No 12). The compounds are isotypic and form the K/sub 6/Si/sub 2/Te/sub 6/ structure. Na/sub 6/Ge/sub 2/Te/sub 6/ crystallizes in the K/sub 6/Sn/sub 2/Te/sub 6/ structure, monoclinic, space group P2/sub 1//c (No 14). The lattice constants are given.

  1. Raman spectroscopy study of the tetragonal-to-monoclinic transition in zirconium oxide scales and determination of overall oxygen diffusion by nuclear microanalysis of O18

    International Nuclear Information System (INIS)

    Godlewski, J.; Lambertin, M.; Gros, J.P.; Wadier, J.F.; Weidinger, H.

    1991-01-01

    This paper reports on two allotropic forms of zirconium oxide, monoclinic and tetragonal that have been identified in the scales formed on zirconium alloys. The transition from tetragonal to monoclinic has been followed by Z-ray measurements and Raman laser spectroscopy. Information on the average content of the tetragonal phase was obtained by X-ray diffraction, whereas Raman laser analyses on tapered sections revealed its distribution through the scale thickness. Oxidation exposures were made in an autoclave, using H 2 O 18 and D 2 O 18 to determine the overall diffusion coefficients. In particular, oxide scales have been studied on Zircaloy-4 with three different precipitate sizes, and on a Zr-1Nb alloy, after exposure in an autoclave for between 3 and 100 days. The specimens were analyzed in detail in the vicinity of the kinetics transition point, where the acceleration of corrosion occurs. Raman spectroscopy analyses enabled the crystallographic nature of the ZrO 2 to be determined. Close to the interface, the tetragonal phase content is about 40%, when after the transition the tetragonal phase is transformed into monoclinic. The O 18 diffusion treatment was carried out in an autoclave at 400 degrees C under pressure on specimens previously oxidized for between 3 and 100 days in natural water vapor pressure. The diffusion profiles were determined by nuclear microanalysis using the O 18 (p, α) → N 15 reaction. Based on these profiles, the volume and grain boundary diffusion coefficients were calculated for each material and for each oxidation time

  2. The crystal structures of jaguéite, Cu2Pd3Se4, and chrisstanleyite, Ag2Pd3Se4

    DEFF Research Database (Denmark)

    Topa, Dan; Makovicky, Emil; Balic Zunic, Tonci

    2006-01-01

    equipped with a CCD area-detector. The crystal structure of chrisstanleyite, ideally Ag2Pd3Se4, monoclinic a 5.676(2), b 10.342(4), c 6.341(2) Å, ß 114.996(4)º, space group P21/c, has been solved by direct methods and refi ned to an R1 index of 8.3% for 1203 unique refl ections measured with MoK X......The crystal structure of jaguéite, ideally Cu2Pd3Se4, monoclinic, a 5.672(5), b 9.909(9), c 6.264(6) Å, ß 115.40(2)º, space group P21/c, has been solved by direct methods and refi ned to an R1 index of 5.52% for 956 unique refl ections measured with MoK X-radiation on a P-4 Bruker diffractometer......(Ag)-Pd2 system of metal-metal bonds, help to stabilize the open-work structure composed of PdSe4 squares....

  3. A new molybdenum trioxide hydrate MoO3.1/3H2O and a new monoclinic form of MoO3

    International Nuclear Information System (INIS)

    Harb, F.; Gerand, B.; Nowogrocki, G.; Figlarz, M.

    1986-01-01

    A new hydrate of molybdenum trioxide MoO 3 .1/3H 2 O has been obtained by hydrothermal treatment at 110 0 C of either aqueous suspensions of MoO 3 .2H 2 O or aqueous molybdic acid solutions. The hydrate crystallizes in the orthorhombic system, lattice parameters are given; a structural model is proposed by comparison with the isostructural WO 3 .1/3H 2 O phase. The dehydration of MoO 3 .1/3H 2 O leads to a new anhydrous molybdenum trioxide, monoclinic, the structure of which is of ReO 3 type [fr

  4. Structural, electronic and optical properties of monoclinic Na2Ti3O7 from density functional theory calculations: A comparison with XRD and optical absorption measurements

    International Nuclear Information System (INIS)

    Araújo-Filho, Adailton A.; Silva, Fábio L.R.; Righi, Ariete; Silva, Mauricélio B. da; Silva, Bruno P.; Caetano, Ewerton W.S.; Freire, Valder N.

    2017-01-01

    Powder samples of bulk monoclinic sodium trititanate Na 2 Ti 3 O 7 were prepared carefully by solid state reaction, and its monoclinic P2 1 /m crystal structure and morphology were characterized by X-ray powder diffraction (XRD) and scanning electron microscopy (SEM), respectively. Moreover, the sodium trititanate main energy band gap was estimated as E g =3.51±0.01 eV employing UV–Vis spectroscopy, which is smaller than the measured 3.70 eV energy gap published previously by other authors. Aiming to achieve a better understanding of the experimental data, density functional theory (DFT) computations were performed within the local density and generalized gradient approximations (LDA and GGA, respectively) taking into account dispersion effects through the scheme of Tkatchenko and Scheffler (GGA+TS). Optimal lattice parameters, with deviations relative to measurements Δa=−0.06 Å, Δb=0.02 Å, and Δc=−0.09 Å, were obtained at the GGA level, which was then used to simulate the sodium trititanate electronic and optical properties. Indirect band transitions have led to a theoretical gap energy value of about 3.25 eV. Our results, however, differ from pioneer DFT results with respect to the specific Brillouin zone vectors for which the indirect transition with smallest energy value occurs. Effective masses for electrons and holes were also estimated along a set of directions in reciprocal space. Lastly, our calculations revealed a relatively large degree of optical isotropy for the Na 2 Ti 3 O 7 optical absorption and complex dielectric function. - Graphical abstract: Monoclinic sodium trititanate Na2Ti3O7 was characterized by experiment and dispersion-corrected DFT calculations. An indirect gap of 3.5 eV is predicted, with heavy electrons and anisotropic holes ruling its conductivity. - Highlights: • Monoclinic Na2Ti3O7 was characterized by experiment (XRD, SEM, UV–Vis spectroscopy). • DFT GGA+TS optimized geometry and optoelectronic properties were

  5. Crystal structure of Cs3H(SeO4)2 (T=295 K) and its changes in phase transformations

    International Nuclear Information System (INIS)

    Merinov, B.V.; Bolotina, N.B.; Baranov, A.I.; Shuvalov, L.A.

    1988-01-01

    Crystal structure of Cs 3 H(SeO 4 ) 2 3 phase at T=295 K is decoded by X-ray diffraction data. Monoclinic cell parameters are improved: a=10.903(3), b=6.390(8), c=8.452(2)A, β=112.46(1) deg, V=544 A 3 , Z=2, sp. gr. C2/m. Structural peculiarities of 3↔2↔1 phase transitions in Cs 3 H(SeO 4 ) 2 and proton conductivity mechanism in superionic phase are considered

  6. Synthesis of ZnO/CdSe hierarchical heterostructure with improved visible photocatalytic efficiency

    International Nuclear Information System (INIS)

    Wu, Yao; Xu, Fang; Guo, Defu; Gao, Zhiyong; Wu, Dapeng; Jiang, Kai

    2013-01-01

    ZnO/CdSe hierarchical heterostructure was prepared using pompon-like ZnO as substrate materials, and hexagonal CdSe nanoparticles were dispersed on the ZnO plates. The hybrid ZnO/CdSe samples were intensively investigated by XRD, SEM, TEM, HRTEM, PL and UV–vis absorption spectrum. The photocatalytic experiments confirm that ZnO/CdSe heterostructure exhibits improved photocatalytic efficiency compared to pure ZnO under visible light irradiation. CdSe nanoparticles are believed to serve as photosensitizers to extend the absorption spectrum to visible light region. In addition, the incorporation of CdSe can suppress the recombination of photogenerated electron-hole pairs, which contributes to the enhancement of photocatalytic efficiency.

  7. Phase controlled solvothermal synthesis of Cu_2ZnSnS_4, Cu_2ZnSn(S,Se)_4 and Cu_2ZnSnSe_4 Nanocrystals: The effect of Se and S sources on phase purity

    International Nuclear Information System (INIS)

    Pal, Mou; Mathews, N.R.; Paraguay-Delgado, F.; Mathew, X.

    2015-01-01

    In this study, we have reported the synthesis of Cu_2ZnSnSe_4 (CZTSe), Cu_2ZnSnS_4 (CZTS) and Cu_2ZnSn(S,Se)_4 (CZTSSe) nanocrystals with tunable band gap and composition obtained by solvothermal method. The crystalline structure, composition, morphology and optical properties of the nanoparticles were characterized by X-ray diffraction (XRD), Raman scattering, energy dispersive X-ray spectroscopy, transmission electron microscopy and diffuse reflectance (DR) spectroscopy. While the XRD patterns of CZTS and CZTSe nanoparticles prepared with elemental S/Se powder revealed the presence of phase pure nanoparticles, the CZTSSe nanoparticles obtained using a mixture of S and Se, were found to contain many secondary phases under the same synthesis protocol. Formation of impurity phases in CZTSSe sample, can be avoided by using a mixture of 1-dodecanethiol (DT; CH_3(CH_2)_1_1SH)/oleylamine (OLA) instead of S powder and following the same experimental procedure. The incorporation of S in CZTSe nanocrystals prepared in presence of DDT/OLA mixture was confirmed through structural and optical characterizations. The optical properties of the quaternary chalcogenide nanocrystals were found to vary with the chemical composition of the material. - Highlights: • Solvothermal synthesis of CZTS, CZTSSe and CZTSe nanocrystals and discussion on possible formation mechanism. • Use of dodecanethiol/oleylamine mixture to synthesize phase-pure CZTSSe nanocrystals. • Formation of impurity phases can be controlled with proper S and Se sources.

  8. The synthesis and photocatalytic activity of ZnSe microspheres

    International Nuclear Information System (INIS)

    Cao Huaqiang; Xiao Yujiang; Zhang Sichun

    2011-01-01

    This paper reports the synthesis of semiconductor ZnSe microspheres composed of nanoparticles via a solvothermal route between the organic molecule selenophene (C 4 H 4 Se) and ZnCl 2 without adding any surfactant. The ZnSe microspheres were characterized by x-ray diffraction (XRD), Raman spectroscopy, scanning electron microscopy (SEM), field emission scanning electron microscopy (FE-SEM), transmission electron microscopy (TEM), high resolution transmission electron microscopy (HRTEM), specific surface area measurement, and photoluminescence (PL) spectra. A strong and broad blue PL emission at 443 nm in wavelength (∼2.79 eV in photon energy) is attributed to the near-band-edge (NBE) emission of ZnSe, while the 530 nm peak is a defect-related (DL) emission. The photocatalytic activity of the as-prepared ZnSe microspheres was evaluated by photodegradation of methyl orange (MO) dye under ultraviolet (UV) light and visible light irradiation. The degradations of MO reach 94% or 95.1%, close to 100%, in the presence of the as-synthesized ZnSe microspheres or commercial ZnSe powder after 7 or 10 h under UV irradiation, respectively. Meanwhile the degradations of MO reach 94.3% or 60.6% in the presence of the as-synthesized ZnSe microspheres or commercial ZnSe powder after 12 h, respectively. The degradation rate of ZnSe microspheres is twice that of ZnSe commercial powder under UV light irradiation, and three times under visible light irradiation. The degradation process of MO dye on ZnSe microspheres under UV or visible light is also discussed.

  9. (shell) nanoparticles

    Indian Academy of Sciences (India)

    the quasistatic approximation shows good agreement with the Mie theory results. .... medium, respectively, and f = (rcore/rshell)1/3 is the fraction of the total particle ..... [27] Michael Quinten, Optical properties of nanoparticle systems: Mie and ...

  10. Role of anionic and cationic surfactants on the structural and dielectric properties of ZrO{sub 2} nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Sidhu, Gaganpreet Kaur; Kumar, Rajesh, E-mail: rajeshbaboria@gmail.com

    2017-01-15

    Highlights: • Synthesis of Zirconia nanoparticles with and without surfactants by co- precipitation method. • Surface modification of ZrO{sub 2} nanoparticles. • Phase transition with different concentration of surfactants. • Dielectric behavior of bare, CTAB assisted and SDS assisted ZrO{sub 2} nanoparticles. - Abstract: In the present paper, we report the synthesis of Cetyltrimethylammonium Bromide (CTAB) and Sodium dodecyl sulfate (SDS) assisted Zirconia (ZrO{sub 2}) nanoparticles by co-precipitation method. The effect of surfactant concentration on the structural and dielectric properties has been extensively studied. X-ray diffraction studies reveal the formation of tetragonal phase in the ZrO{sub 2} nanoparticles prepared by lower CTAB concentration. However, for higher concentration of CTAB some traces of monoclinic phase appeared along with tetragonal phase. SDS assisted nanoparticles shows crystalline tetragonal phase with lower concentration of SDS and amorphous nature with higher concentrations of SDS. FTIR results show the presence of Zr–O symmetrical stretching vibrations at tetrahedral site. The dielectric properties of all samples have been studied from 10 Hz to 1 MHz, revealing the low value of dielectric constant with CTAB and very high value with SDS as compared to bare ZrO{sub 2} nanoparticles. The dielectric behaviour of the bare and surfactant assisted nanoparticles has been correlated with the phase transition, size of nanoparticles and the nature of surfactants.

  11. Real-time in-situ monitoring of the topotactic transformation of TlCu3Se2 into TlCu2Se2

    International Nuclear Information System (INIS)

    Ångström, J.; Sahlberg, M.; Berger, R.

    2015-01-01

    Highlights: • Topotactic transition from TlCu 3 Se 2 to TlCu 2 Se 2 followed in situ. • Synchrotron radiation X-ray powder diffraction enabled short scans. • Relative abundance of phases refined from powder data. • Opens up for studying similar systems in the same manner. - Abstract: The solid state transformation of monoclinic TlCu 3 Se 2 into tetragonal TlCu 2 Se 2 by oxidative copper leaching in concentrated ammonia solution has been studied in situ by the use of synchrotron radiation. The diffraction patterns of parent and daughter phase are both sharp, indicating a strong topotactic relationship between them that effectuates a rapid change by “chimie douce” performed at +19 °C. The transformation rate is strongly connected to the access of oxygen from the surrounding air. The transformation was followed in a real-time mode, being almost complete after 2.5 h with 1 h incubation due to low oxygen content, as shown from refining the diffraction patterns by Rietveld profile technique

  12. Crystal structure of the Hg4SiS6 and Hg4SiSe6 compounds

    International Nuclear Information System (INIS)

    Gulay, L.D.; Olekseyuk, I.D.; Parasyuk, O.V.

    2002-01-01

    The crystal structures of Hg 4 SiS 6 and Hg 4 SiSe 6 compounds were investigated using X-ray powder diffraction. These compounds crystallize in the monoclinic Cc space group with the lattice parameters a=1.23020(5), b=0.71031(4), c=1.22791(4) nm, β=109.721(3) deg. for Hg 4 SiS 6 and a=1.28110(4), b=0.74034(4), c=1.27471(1) nm, β=109.605(3) deg. for Hg 4 SiSe 6 . Atomic parameters were refined in the isotropic approximation (R I =0.0571 and R I =0.0555 for the Hg 4 SiS 6 and Hg 4 SiSe 6 , respectively)

  13. Optical and structural properties of colloidal zirconia nanoparticles prepared by arc discharge in liquid

    Science.gov (United States)

    Peymani forooshani, Reza; Poursalehi, Reza; Yourdkhani, Amin

    2018-01-01

    Zirconia is one of the important ceramic materials with unique properties such as high melting point, high ionic conductivity, high mechanical properties and low thermal conductivity. Therefore, zirconia is one of the useful materials in refractories, thermal barriers, cutting tools, oxygen sensors electrolytes, catalysis, catalyst supports and solid oxide fuel cells. Recently, direct current (DC) arc discharge is extensively employed to synthesis of metal oxide nanostructures in liquid environments. The aim of this work is the synthesis of colloidal zirconia nanoparticles by DC arc discharge method in water as a medium. Arc discharge was ignited between two pure zirconium electrodes in water. Optical and structural properties of prepared colloidal nanoparticles were investigated. Scanning Electron Microscopy (SEM), X-Ray Diffraction (XRD) and UV-visible spectroscopy, were employed for characterization of particle size, morphology, crystal structure and optical properties, respectively. SEM images demonstrate that the nanoparticles are spherical in shape with an average size lower than 38 nm. The XRD patterns of the nanoparticles were consistent with tetragonal and monoclinic zirconia crystal structures. The optical transmission spectra of the colloidal solution show optical characteristic of zirconia nanoparticles as a wide band gap semiconductor with no absorption peak in visible wavelength with the considerable amount of oxygen deficiency. Oxidation of colloidal nanoparticles in water could be explained via reaction with either dissociated oxygen from water in hot plasma region or with dissolved oxygen in water. The results provide a simple and flexible method for preparation of zirconia nanoparticles with a capability of mass production without environmental footprints.

  14. Multifunctional superparamagnetic nanoparticles for enhanced drug transport in cystic fibrosis

    Science.gov (United States)

    Armijo, Leisha M.; Brandt, Yekaterina I.; Rivera, Antonio C.; Cook, Nathaniel C.; Plumley, John B.; Withers, Nathan J.; Kopciuch, Michael; Smolyakov, Gennady A.; Huber, Dale L.; Smyth, Hugh D.; Osinski, Marek

    2012-10-01

    Iron oxide colloidal nanoparticles (ferrofluids) are investigated for application in the treatment of cystic fibrosis lung infections, the leading cause of mortality in cystic fibrosis patients. We investigate the use of iron oxide nanoparticles to increase the effectiveness of administering antibiotics through aerosol inhalation using two mechanisms: directed particle movement in the presence of an inhomogeneous static external magnetic field and magnetic hyperthermia. Magnetic hyperthermia is an effective method for decreasing the viscosity of the mucus and biofilm, thereby enhancing drug, immune cell, and antibody penetration to the affected area. Iron oxide nanoparticles of various sizes and morphologies were synthesized and tested for specific losses (heating power). Nanoparticles in the superparamagnetic to ferromagnetic size range exhibited excellent heating power. Additionally, iron oxide / zinc selenide core/shell nanoparticles were prepared, in order to enable imaging of the iron oxide nanoparticles. We also report on synthesis and characterization of MnSe/ZnSeS alloyed quantum dots.

  15. The noncentrosymmetric chain compounds, A{sub 3}M{sub 2}AsSe{sub 11} (A = K, Rb, Cs; M = Nb, Ta)

    Energy Technology Data Exchange (ETDEWEB)

    Do, Junghwan; Kanatzidis, Mercouri G

    2004-11-03

    The noncentrosymmetric niobium and tantalum selenoarsenates, A{sub 3}Nb{sub 2}AsSe{sub 11} (A=K, Rb, Cs) and K{sub 3}Ta{sub 2}AsSe{sub 11}, were synthesized in a polyselenoarsenate flux. All compounds crystallize in the polar monoclinic space group Cc. The structures are comprised of the same type of infinite chain anions, [M{sub 2}Se{sub 2}(Se{sub 2}){sub 3}(AsSe{sub 3})]{sup 3-} (M=Nb, Ta) separated by alkali metal cations. The As{sup 3+} centers with nonbonded electron pairs play an important role in stabilizing the noncentrosymmetric structures. UV-Vis spectroscopy, Raman spectroscopy and differential thermal analysis data are reported. The energy gaps of these compounds vary between 1.35 and 1.53 eV.

  16. Plants and microbes assisted selenium nanoparticles: characterization and application.

    Science.gov (United States)

    Husen, Azamal; Siddiqi, Khwaja Salahuddin

    2014-08-16

    Selenium is an essential trace element and is an essential component of many enzymes without which they become inactive. The Se nanoparticles of varying shape and size may be synthesized from Se salts especially selenite and selenates in presence of reducing agents such as proteins, phenols, alcohols and amines. These biomolecules can be used to reduce Se salts in vitro but the byproducts released in the environment may be hazardous to flora and fauna. In this review, therefore, we analysed in depth, the biogenic synthesis of Se nanoparticles, their characterization and transformation into t- Se, m-Se, Se-nanoballs, Se-nanowires and Se-hollow spheres in an innocuous way preventing the environment from pollution. Their shape, size, FTIR, UV-vis, Raman spectra, SEM, TEM images and XRD pattern have been analysed. The weak forces involved in aggregation and transformation of one nano structure into the other have been carefully resolved.

  17. Fig .1. X-ray diffraction (XRD) patterns of Ag2Se-G-TiO2 composites.

    Indian Academy of Sciences (India)

    32

    SEM images of Ag2Se-G nanocomposites, (c)TiO2 nanoparticles and (d) SEM images of Ag2Se-. G-TiO2 .... Although photo-catalytic conversion of CO2 using solar energy is the most convenient route for the ..... based structure of graphene, the unpaired π electron merges with the metal nanoparticles, causing a shift in the ...

  18. Biogenesis of Selenium Nanoparticles Using Green Chemistry.

    Science.gov (United States)

    Shoeibi, Sara; Mozdziak, Paul; Golkar-Narenji, Afsaneh

    2017-11-09

    Selenium binds some enzymes such as glutathione peroxidase and thioredoxin reductase, which may be activated in biological infections and oxidative stress. Chemical and physical methods for synthesizing nanoparticles, apart from being expensive, have their own particular risks. However, nanoparticle synthesis through green chemistry is a safe procedure that different biological sources such as bacteria, fungi, yeasts, algae and plants can be the catalyst bed for processing. Synthesis of selenium nanoparticles (SeNPs) by macro/microorganisms causes variation in morphology and shape of the particles is due to diversity of reduction enzymes in organisms. Reducing enzymes of microorganisms by changing the status of redox convert metal ions (Se 2- ) to SeNPs without charge (Se 0 ). Biological activity of SeNPs includes their protective role against DNA oxidation. Because of the biological and industrial properties, SeNPs have wide applications in the fields of medicine, microelectronic, agriculture and animal husbandry. SeNPs can show strong antimicrobial effects on the growth and proliferation of microorganisms in a dose-dependent manner. The objective of this review is to consider SeNPs applications to various organisms.

  19. Biosynthesis of selenium nanoparticles by Pantoea agglomerans and their antioxidant activity

    International Nuclear Information System (INIS)

    Torres, S. K.; Campos, V. L.; León, C. G.; Rodríguez-Llamazares, S. M.; Rojas, S. M.; González, M.; Smith, C.; Mondaca, M. A.

    2012-01-01

    The bio-reduction of selenite (Se (IV)) generates nanoparticles with sizes ranging between 30 and 300 nm. Biologic properties of Se nanoparticles, e.g., antioxidant activity, are dependent on the nanoparticle size; smaller particles have greater activity. In this study, the bio-reduction of selenite by Pantoea agglomerans strain UC-32 under aerobic conditions and room temperature to produce bioactive Se nanoparticles smaller than 100 nm was demonstrated. Isolation and purification of the nanoparticles was performed by alkaline lysis. These purified nanoparticles were stabilized with l-cysteine (4 mM). The visualization and characterization of nanoparticles were performed by transmission electron microscopy, energy dispersive X-ray spectroscopy, and scanning electron microscopy. The antioxidant activity of nanoparticles was determined by production of reactive oxygen species using human umbilical vein endothelial cells. Transmission electron microscopy images showed the accumulation of spherical selenium nanoparticles as intracellular and extracellular deposits. The size of Se nanoparticles varied with incubation time. Amorphous Se nanoparticles with size in the order of 100 nm were obtained before 24 h of incubation; but, at 24 h of incubation, the size of the majority of the nanoparticles was in the desirable order of 100 nm and they were not aggregated. Energy dispersive spectroscopy spectra indicated that nanoparticles were composed entirely of selenium. Antioxidant activity of stabilized selenium nanoparticles demonstrated high antioxidant activity when compared to selenite and selenium nanoparticles without stabilization. Stabilized biologically synthetized selenium (0) nanoparticles with size less than 100 nm have a potential application as a food additive with antioxidant properties relevant to human health.

  20. Biosynthesis of selenium nanoparticles by Pantoea agglomerans and their antioxidant activity

    Energy Technology Data Exchange (ETDEWEB)

    Torres, S. K.; Campos, V. L., E-mail: vcampos@udec.cl; Leon, C. G. [Universidad de Concepcion, Laboratorio de Microbiologia Ambiental, Departamento de Microbiologia (Chile); Rodriguez-Llamazares, S. M. [Centro de Investigacion de Polimeros Avanzados (CIPA) (Chile); Rojas, S. M.; Gonzalez, M. [Universidad de Concepcion, Laboratorio de Fisiologia Vascular, Departamento de Fisiologia (Chile); Smith, C. [Universidad de Concepcion, Departamento de Microbiologia (Chile); Mondaca, M. A. [Universidad de Concepcion, Laboratorio de Microbiologia Ambiental, Departamento de Microbiologia (Chile)

    2012-11-15

    The bio-reduction of selenite (Se (IV)) generates nanoparticles with sizes ranging between 30 and 300 nm. Biologic properties of Se nanoparticles, e.g., antioxidant activity, are dependent on the nanoparticle size; smaller particles have greater activity. In this study, the bio-reduction of selenite by Pantoea agglomerans strain UC-32 under aerobic conditions and room temperature to produce bioactive Se nanoparticles smaller than 100 nm was demonstrated. Isolation and purification of the nanoparticles was performed by alkaline lysis. These purified nanoparticles were stabilized with l-cysteine (4 mM). The visualization and characterization of nanoparticles were performed by transmission electron microscopy, energy dispersive X-ray spectroscopy, and scanning electron microscopy. The antioxidant activity of nanoparticles was determined by production of reactive oxygen species using human umbilical vein endothelial cells. Transmission electron microscopy images showed the accumulation of spherical selenium nanoparticles as intracellular and extracellular deposits. The size of Se nanoparticles varied with incubation time. Amorphous Se nanoparticles with size in the order of 100 nm were obtained before 24 h of incubation; but, at 24 h of incubation, the size of the majority of the nanoparticles was in the desirable order of 100 nm and they were not aggregated. Energy dispersive spectroscopy spectra indicated that nanoparticles were composed entirely of selenium. Antioxidant activity of stabilized selenium nanoparticles demonstrated high antioxidant activity when compared to selenite and selenium nanoparticles without stabilization. Stabilized biologically synthetized selenium (0) nanoparticles with size less than 100 nm have a potential application as a food additive with antioxidant properties relevant to human health.

  1. Extended analyses of Se VII and Se VIII

    International Nuclear Information System (INIS)

    Vankleef, Th.A.M.; Joshi, Y.N.

    1984-01-01

    Joshi et al. (1984) have conducted an analysis of the 3d8 4s-3d8 4p transitions in As VII. The present investigation is concerned with an analysis of similar transitions in Se VIII. The selenium spectrum was photographed in the 400-1200-A wavelength region on a variety of normal-incidence spectrographs. Attention is given to least-squares-fit (LSF) and Hartree-Fock (HF) parameter values for the 3d9 4d configuration of Se VII, LSF and HF parameter values for the 3d8 4s and 3d8 4p configurations of Se VIII, the energy and composition of the levels of the 3d9 4d configuration of Se VII, classified lines in Se VII, energy levels and composition of the 3d8 4s configuration and the revised and newly determined levels of the 3d8 4p configuration of Se VIII, and newly classified lines of Se VIII. 15 references

  2. PHEIFFER SE TAALPOLITIEK JC Steyn

    African Journals Online (AJOL)

    sigself maak tog nie Chomsky se teorie oor n aangebore taalaanleg en die konsekwensie daarvan nl. dat elke taal opgebou moet wees volgens dieselfde grondprinsipes, ongeldig nie? Taalpolitieke oortuigingskrag het hierdie argument nog minder. Sal jy in alle erns vir mense kan se: "Ons moet aanhou om die taal te praat ...

  3. Reassignment of oxygen-related defects in CdTe and CdSe

    Energy Technology Data Exchange (ETDEWEB)

    Bastin, Dirk

    2015-05-22

    This thesis reassigns the O{sub Te}-V{sub Cd} complex in CdTe and the O{sub Se}-V{sub Cd} complex in CdSe to a sulfur-dioxygen complex SO{sub 2}*, and the O{sub Cd} defect in CdSe to a V{sub Cd}H{sub 2} complex using Fourier transformed infrared absorption spectroscopy. The publications of the previous complexes were investigated by theoreticians who performed first-principle calculations of theses complexes. The theoreticians ruled out the assignments and proposed alternative defects, instead. The discrepancy between the experimentally obtained and theoretically proposed defects was the motivation of this work. Two local vibrational modes located at 1096.8 (ν{sub 1}) and 1108.3 cm{sup -1} (ν{sub 2}) previously assigned to an O{sub Te}-V{sub Cd} complex are detected in CdTe single crystals doped with CdSO{sub 4} powder. Five weaker additional absorption lines accompanying ν{sub 1} and ν{sub 2} could be detected. The relative intensities of the absorption lines match a sulfur-dioxygen complex SO{sub 2}* having two configurations labeled ν{sub 1} and ν{sub 2}. A binding energy difference of 0.5±0.1 meV between the two configurations and an energy barrier of 53±4 meV separating the two configurations are determined. Uniaxial stress applied to the crystal leads to a splitting of the absorption lines which corresponds to an orthorhombic and monoclinic symmetry for ν{sub 1} and ν{sub 2}, respectively. In virgin and oxygen-doped CdSe single crystals, three local vibrational modes located at 1094.1 (γ{sub 1}), 1107.5 (γ{sub 2}), and 1126.3 cm{sup -1} (γ{sub 3}) previously attributed to an O{sub Se}-V{sub Cd} complex could be observed. The signals are accompanied by five weaker additional absorption features in their vicinity. The additional absorption lines are identified as isotope satellites of a sulfur-dioxygen complex SO{sub 2}* having three configurations γ{sub 1}, γ{sub 2}, and γ{sub 3}. IR absorption measurements with uniaxial stress applied to the

  4. Nanoparticles as potential clinical therapeutic agents in Alzheimer's disease: focus on selenium nanoparticles.

    Science.gov (United States)

    Nazıroğlu, Mustafa; Muhamad, Salina; Pecze, Laszlo

    2017-07-01

    In etiology of Alzheimer's disease (AD), involvement of amyloid β (Aβ) plaque accumulation and oxidative stress in the brain have important roles. Several nanoparticles such as titanium dioxide, silica dioxide, silver and zinc oxide have been experimentally using for treatment of neurological disease. In the last decade, there has been a great interest on combination of antioxidant bioactive compounds such as selenium (Se) and flavonoids with the oxidant nanoparticles in AD. We evaluated the most current data available on the physiological effects of oxidant and antioxidant nanoparticles. Areas covered: Oxidative nanoparticles decreased the activities of reactive oxygen species (ROS) scavenging enzymes such as glutathione peroxidase (GSH-Px), superoxide dismutase (SOD) and catalase in the brain of rats and mice. However, Se-rich nanoparticles in small size (5-15 nm) depleted Aβ formation through decreasing ROS production. Reports on low levels of Se in blood and tissue samples and the low activities of GSH-Px, catalase and SOD enzymes in AD patients and animal models support the proposed crucial role of oxidative stress in the pathogenesis of AD. Expert commentary: In conclusion, present literature suggests that Se-rich nanoparticles appeared to be a potential therapeutic compound for the treatment of AD.

  5. Novel monoclinic zirconolite in Bi2O3–CuO–Ta2O5 ternary system: Phase equilibria, structural and electrical properties

    International Nuclear Information System (INIS)

    Tan, K.B.; Chon, M.P.; Khaw, C.C.; Zainal, Z.; Taufiq Yap, Y.H.; Tan, P.Y.

    2014-01-01

    Highlights: • Novel BCT monoclinic zirconolite phase was prepared through solid state reaction. • Comprehensive study of reaction mechanism was performed by careful firing control. • Qualitative structural and phase analyses were conducted. • Electrical response in broad range of temperature and frequency was investigated. - Abstract: Synthesis of novel monoclinic zirconolite, Bi 1.92 Cu 0.08 (Cu 0.3 Ta 0.7 ) 2 O 7.06 (β-BCT) using solid state reaction had been finalised at the firing temperature of 900 °C over 24 h. The X–ray diffraction pattern of β-BCT was fully indexed on a monoclinic symmetry, space group, C2/c with lattice constants, a = 13.1052 (8), b = 7.6749 (5), c = 12.162 (6), α = γ = 90° and β = 101.32° (1), respectively. The reaction mechanism study indicated phase formation was greatly influenced by the reaction between intermediate bismuth tantalate binary phases and CuO at elevated temperatures. β-BCT was thermally stable up to a temperature of 900 °C and contained spherulite grains with sizes ranging from 1 to 14 μm. Electrical properties of this material were characterised over a broad temperature range covering temperatures from 10 K to 874 K. At the temperature of 304 K, two semicircles were discernible in complex Cole–Cole plot showing an insulating grain boundary with C gb = 6.63 × 10 −9 F cm −1 and a bulk response capacitance, C b = 6.74 × 10 −12 F cm −1 . The Power law frequency-dependent ac conductivity of β-BCT was apparent in three frequency regimes; a low–frequency plateau regime, a high-frequency plateau regime and a dispersive regime taking place in the temperature range of 220–576 K. The frequency-dependent ac conductivity of β-BCT with increasing temperature was attributed to the thermal activated electrical conduction mechanism within the structure

  6. Effects of precursor on the morphology and size of ZrO{sub 2} nanoparticles, synthesized by sol-gel method in non-aqueous medium

    Energy Technology Data Exchange (ETDEWEB)

    Siddiqui, Mohammed Rafiq Hussain; Al-Wassil, Abdulaziz Ibrahim; Mahfouz, Refaat Mohamad [King Saud University, Riyadh (Saudi Arabia). Department of Chemistry, College of Science; Al-Otaibi, Abdullah Mohmmed [King Abdulaziz City for Science and Technology (Saudi Arabia). The NationalProgram for Advanced Materials and Building Systems

    2012-11-15

    Pure zirconium oxide (ZrO{sub 2}) nanoparticles with diameters 10-25 nm were synthesized from ZrOCl{sub 2}.8H{sub 2}O and Zr(SO{sub 4})2.H{sub 2}O with benzyl alcohol as non-aqueous solvent medium using sol-gel method. Sodium lauryl sulfate was added as surfactants to control the particle size. The synthesized ZrO{sub 2} nanoparticles have a mixture of tetragonal and monoclinic structure. The XRD showed the purity of obtained ZrO{sub 2} nanoparticles with tetragonal and monoclinic phase and the crystallite size for ZrOCl{sub 2}.8H{sub 2}O precursor was estimated to be 18.1 nm and that from Zr(SO{sub 4})2.H{sub 2}O was 9.7 nm. The transmission electron microscopy and scanning electron microscopic studies also shows different sizes of nanoparticles and different morphology depending on the precursor used for the synthesis of ZrO{sub 2} nanoparticles. (author)

  7. Effects of precursor on the morphology and size of ZrO2 nanoparticles, synthesized by sol-gel method in non-aqueous medium

    Directory of Open Access Journals (Sweden)

    Mohammed Rafiq Hussain Siddiqui

    2012-12-01

    Full Text Available Pure zirconium oxide (ZrO2 nanoparticles with diameters 10-25 nm were synthesized from ZrOCl2.8H2O and Zr(SO42.H2O with benzyl alcohol as non-aqueous solvent medium using sol-gel method. Sodium lauryl sulfate was added as surfactants to control the particle size. The synthesized ZrO2 nanoparticles have a mixture of tetragonal and monoclinic structure. The XRD showed the purity of obtained ZrO2 nanoparticles with tetragonal and monoclinic phase and the crystallite size for ZrOCl2.8H2O precursor was estimated to be 18.1 nm and that from Zr(SO42.H2O was 9.7 nm. The transmission electron microscopy and scanning electron microscopic studies also shows different sizes of nanoparticles and different morphology depending on the precursor used for the synthesis of ZrO2 nanoparticles

  8. Sample Set (SE): SE10 [Metabolonote[Archive

    Lifescience Database Archive (English)

    Full Text Available SE10 Effect of phosphorus nutrition for cabbage metabolites Investigation of Brassi...ca oleracea var. capitata Hatukoi leaf metabolites. 3 growth conditions (high, low and no phosphorus nutrition

  9. Sample Set (SE): SE30 [Metabolonote[Archive

    Lifescience Database Archive (English)

    Full Text Available SE30 Comparison of seed metabolites among soybean varieties Investigation of Glycine max. green seed metabol...ites. 3 varieties (Kamogawashichiri, Koitozairai, Tanbakuro) data are examined. Tak

  10. Sample Set (SE): SE13 [Metabolonote[Archive

    Lifescience Database Archive (English)

    Full Text Available SE13 Comparison of leaf metabolites among spinach varieties Investigation of Spinacia oleracea leaf metaboli...tes. 4 cultivers (Nihon, Kanaji, Kurohaminstarland and Wasesaradaakari) and 3 repli

  11. Sample Set (SE): SE31 [Metabolonote[Archive

    Lifescience Database Archive (English)

    Full Text Available SE31 Comparison of seed metabolites among eggplant fruit tissues Investigation of S...olanum melongena Senryounigou metabolites. 3 tissues (flesh, fruit, peel) data are examined. Takeshi Ara 1,

  12. Sample Set (SE): SE28 [Metabolonote[Archive

    Lifescience Database Archive (English)

    Full Text Available SE28 Comparison of leaf metabolites among developmental stages of Hevea brasiliensi...s Investigation of Hevea brasiliensis leaf metabolites. 4 developmental stages and 6 replicates data are exa

  13. Sample Set (SE): SE53 [Metabolonote[Archive

    Lifescience Database Archive (English)

    Full Text Available SE53 Covering chemical diversity of genetically-modified tomatoes using metabolomics...signature. We conclude that multi-platform metabolomics is an approach that is both sensitive and robust and

  14. Sample Set (SE): SE26 [Metabolonote[Archive

    Lifescience Database Archive (English)

    Full Text Available SE26 Effect of compost for cabbage metabolites Investigation of Brassica oleracea v...ar. capitata YR Seisyun leaf metabolites. 2 growth conditions (with or without 6t compost treatment) and 3 r

  15. Sample Set (SE): SE20 [Metabolonote[Archive

    Lifescience Database Archive (English)

    Full Text Available SE20 Arabidopsis thaliana leaf metabolite analysis for a software test Investigatio...es that were investigated to optimize the parameters of PowerGet software for better metabolite annotation i

  16. Sample Set (SE): SE16 [Metabolonote[Archive

    Lifescience Database Archive (English)

    Full Text Available SE16 Effect of agricultural films for spinach leaf metabolites 2 Investigation of S...pinacia oleracea leaf metabolites. 3 growth conditions (covered with normal or UV cut agricultural film or no agricultura

  17. Sample Set (SE): SE14 [Metabolonote[Archive

    Lifescience Database Archive (English)

    Full Text Available SE14 Effect of agricultural films for tomato fruit metabolites Investigation of Sol...anum lycopersicum fruit metabolites. 3 growth conditions (covered with normal or UV cut agricultural film or no agricultura

  18. Sample Set (SE): SE18 [Metabolonote[Archive

    Lifescience Database Archive (English)

    Full Text Available in by Orbitrap MS and automated search engine Lipid Search A comprehensive and precise identification of pho...SE18 Global identification of phospholipid molecular species in mouse liver and bra

  19. Magnetic ordering in the monoclinic structure of Nd5Si1.45Ge2.55 and Pr5Si1.5Ge2.5 studied by means of neutron powder diffraction

    International Nuclear Information System (INIS)

    Magen, C; Ritter, C; Morellon, L; Algarabel, P A; Ibarra, M R

    2004-01-01

    The compounds Nd 5 Si 1.45 Ge 2.55 and Pr 5 Si 1.5 Ge 2.5 have been investigated by means of magnetization measurements and neutron powder diffraction techniques. These alloys present a room-temperature monoclinic Gd 5 Si 2 Ge 2 -type crystallographic structure and, on cooling, both systems order ferromagnetically, at T C = 56 and 32 K, respectively, from a high-temperature paramagnetic to a low-temperature complex canted ferromagnetic state. The monoclinic crystallographic structure remains unchanged upon cooling down to 4 K, demonstrating the existence of a monoclinic ferromagnetic phase, and the possibility of a full decoupling of magnetic and crystallographic degrees of freedom in the 5:4 lanthanide intermetallic compounds

  20. Biopolymeric nanoparticles

    International Nuclear Information System (INIS)

    Sundar, Sushmitha; Kundu, Joydip; Kundu, Subhas C

    2010-01-01

    This review on nanoparticles highlights the various biopolymers (proteins and polysaccharides) which have recently revolutionized the world of biocompatible and degradable natural biological materials. The methods of their fabrication, including emulsification, desolvation, coacervation and electrospray drying are described. The characterization of different parameters for a given nanoparticle, such as particle size, surface charge, morphology, stability, structure, cellular uptake, cytotoxicity, drug loading and drug release, is outlined together with the relevant measurement techniques. Applications in the fields of medicine and biotechnology are discussed along with a promising future scope. (topical review)

  1. Developing nano-particles as radiopharmaceuticals

    International Nuclear Information System (INIS)

    Gambhir, S.

    2013-01-01

    The wide variety of core materials available, coupled with tunable surface properties, make nanoparticles an excellent platform for a broad range of biological and biomedical applications. The unique properties and utility of nanoparticles arise from a variety of attributes, including the similar size of nanoparticles and biomolecules such as proteins and polynucleic acids. Additionally, nanoparticles can be fashioned with a wide range of metal and semiconductor core materials that impart useful properties such as fluorescence and magnetic behavior. Bio-macromolecule surface recognition by nanoparticles as artificial receptors provides a potential tool for controlling cellular and extracellular processes for numerous biological applications such as transcription regulation, enzymatic inhibition, delivery and sensing. The size of nanoparticle cores can be tuned from 1.5 nm to more than 10 nm depending on the core material, providing a suitable platform for the interaction of nanoparticles with proteins and other biomolecules. The conjugation of nanoparticles with biomolecules such as proteins and DNA can be done by using two different approaches, direct covalent linkage and non-covalent interactions between the particle and bio-molecules.The most direct approach to the creation of integrated biomolecule-nanoparticle conjugates is through covalent attachment.This conjugation can be achieved either through chemisorptions of the biomolecule to the particle surface or through the use of hetero-bi-functional linkers. Chemisorption of proteins onto the surface of nanoparticles (usually containing a core of Au, ZnS, CdS, and CdSe/ZnS) can be done through cysteine residues that are present in the protein surface (e.g., oligo-peptide, serum albumin), or chemically using 2-iminothiolane (Traut's reagent). Bifunctional linkers provide a versatile means of bio-conjugation. Biomolecules are often covalently linked to ligands on the nanoparticle surface via traditional

  2. Oxygen self-diffusion mechanisms in monoclinic Zr O2 revealed and quantified by density functional theory, random walk analysis, and kinetic Monte Carlo calculations

    Science.gov (United States)

    Yang, Jing; Youssef, Mostafa; Yildiz, Bilge

    2018-01-01

    In this work, we quantify oxygen self-diffusion in monoclinic-phase zirconium oxide as a function of temperature and oxygen partial pressure. A migration barrier of each type of oxygen defect was obtained by first-principles calculations. Random walk theory was used to quantify the diffusivities of oxygen interstitials by using the calculated migration barriers. Kinetic Monte Carlo simulations were used to calculate diffusivities of oxygen vacancies by distinguishing the threefold- and fourfold-coordinated lattice oxygen. By combining the equilibrium defect concentrations obtained in our previous work together with the herein calculated diffusivity of each defect species, we present the resulting oxygen self-diffusion coefficients and the corresponding atomistically resolved transport mechanisms. The predicted effective migration barriers and diffusion prefactors are in reasonable agreement with the experimentally reported values. This work provides insights into oxygen diffusion engineering in Zr O2 -related devices and parametrization for continuum transport modeling.

  3. Dielectric tensor of monoclinic Ga2O3 single crystals in the spectral range 0.5–8.5 eV

    Directory of Open Access Journals (Sweden)

    C. Sturm

    2015-10-01

    Full Text Available The dielectric tensor of Ga2O3 in the monoclinic (β phase was determined by generalized spectroscopic ellipsometry in a wide spectral range from 0.5 eV to 8.5 eV as well as by density functional theory calculations combined with many-body perturbation theory including quasiparticle and excitonic effects. The dielectric tensors obtained by both methods are in excellent agreement with each other and the observed transitions in the dielectric function are assigned to the corresponding valence bands. It is shown that the off-diagonal element of the dielectric tensor reaches values up to |εxz| ≈ 0.30 and cannot be neglected. Even in the transparent spectral range where it is quite small (|εxz| < 0.02 it causes a rotation of the dielectric axes around the symmetry axis of up to 20°.

  4. Electron effective mass in Sn-doped monoclinic single crystal β-gallium oxide determined by mid-infrared optical Hall effect

    Science.gov (United States)

    Knight, Sean; Mock, Alyssa; Korlacki, Rafał; Darakchieva, Vanya; Monemar, Bo; Kumagai, Yoshinao; Goto, Ken; Higashiwaki, Masataka; Schubert, Mathias

    2018-01-01

    The isotropic average conduction band minimum electron effective mass in Sn-doped monoclinic single crystal β-Ga2O3 is experimentally determined by the mid-infrared optical Hall effect to be (0.284 ± 0.013)m0 combining investigations on (010) and ( 2 ¯01 ) surface cuts. This result falls within the broad range of values predicted by theoretical calculations for undoped β-Ga2O3. The result is also comparable to recent density functional calculations using the Gaussian-attenuation-Perdew-Burke-Ernzerhof hybrid density functional, which predict an average effective mass of 0.267m0. Within our uncertainty limits, we detect no anisotropy for the electron effective mass, which is consistent with most previous theoretical calculations. We discuss upper limits for possible anisotropy of the electron effective mass parameter from our experimental uncertainty limits, and we compare our findings with recent theoretical results.

  5. A monoclinic polymorph of (1E,5E)-1,5-bis­(2-hy­droxy­benzyl­idene)thio­carbono­hydrazide

    Science.gov (United States)

    Schmitt, Bonell; Gerber, Thomas; Hosten, Eric; Betz, Richard

    2011-01-01

    The title compound, C15H14N4O2S, is a derivative of thio­ureadihydrazide. In contrast to the previously reported polymorph (ortho­rhom­bic, space group Pbca, Z = 8), the current study revealed monoclinic symmetry (space group P21/n, Z = 4). The mol­ecule shows non-crystallographic C 2 as well as approximate C s symmetry. Intra­molecular bifurcated O—H⋯(N,S) hydrogen bonds, are present. In the crystal, inter­molecular N—H⋯S hydrogen bonds and C—H⋯π contacts connect the mol­ecules into undulating chains along the b axis. The shortest centroid–centroid distance between two aromatic systems is 4.5285 (12) Å. PMID:22091213

  6. A monoclinic polymorph of (1E,5E)-1,5-bis-(2-hy-droxy-benzyl-idene)thio-carbono-hydrazide.

    Science.gov (United States)

    Schmitt, Bonell; Gerber, Thomas; Hosten, Eric; Betz, Richard

    2011-08-01

    The title compound, C(15)H(14)N(4)O(2)S, is a derivative of thio-ureadihydrazide. In contrast to the previously reported polymorph (ortho-rhom-bic, space group Pbca, Z = 8), the current study revealed monoclinic symmetry (space group P2(1)/n, Z = 4). The mol-ecule shows non-crystallographic C(2) as well as approximate C(s) symmetry. Intra-molecular bifurcated O-H⋯(N,S) hydrogen bonds, are present. In the crystal, inter-molecular N-H⋯S hydrogen bonds and C-H⋯π contacts connect the mol-ecules into undulating chains along the b axis. The shortest centroid-centroid distance between two aromatic systems is 4.5285 (12) Å.

  7. Structural, electronic and optical properties of monoclinic Na2Ti3O7 from density functional theory calculations: A comparison with XRD and optical absorption measurements

    Science.gov (United States)

    Araújo-Filho, Adailton A.; Silva, Fábio L. R.; Righi, Ariete; da Silva, Mauricélio B.; Silva, Bruno P.; Caetano, Ewerton W. S.; Freire, Valder N.

    2017-06-01

    Powder samples of bulk monoclinic sodium trititanate Na2Ti3O7 were prepared carefully by solid state reaction, and its monoclinic P21/m crystal structure and morphology were characterized by X-ray powder diffraction (XRD) and scanning electron microscopy (SEM), respectively. Moreover, the sodium trititanate main energy band gap was estimated as Eg=3.51±0.01 eV employing UV-Vis spectroscopy, which is smaller than the measured 3.70 eV energy gap published previously by other authors. Aiming to achieve a better understanding of the experimental data, density functional theory (DFT) computations were performed within the local density and generalized gradient approximations (LDA and GGA, respectively) taking into account dispersion effects through the scheme of Tkatchenko and Scheffler (GGA+TS). Optimal lattice parameters, with deviations relative to measurements Δa=-0.06 Å, Δb=0.02 Å, and Δc=-0.09 Å, were obtained at the GGA level, which was then used to simulate the sodium trititanate electronic and optical properties. Indirect band transitions have led to a theoretical gap energy value of about 3.25 eV. Our results, however, differ from pioneer DFT results with respect to the specific Brillouin zone vectors for which the indirect transition with smallest energy value occurs. Effective masses for electrons and holes were also estimated along a set of directions in reciprocal space. Lastly, our calculations revealed a relatively large degree of optical isotropy for the Na2Ti3O7 optical absorption and complex dielectric function.

  8. Señas Mexicano

    Directory of Open Access Journals (Sweden)

    Juan F. García Mejía

    2007-01-01

    Full Text Available En este artículo se muestra un sistema que permite el estudio y práctica del Lenguaje de Señas Mexicano (LMS, el cual es el método de comunicación de las personas que padecen un trastorno de procesamiento auditivo. El sistema propuesto en este artículo consta de un guante de tela instrumentado con sensores de flexión, una etapa de acondicionamiento de señales y una tarjeta de adquisición de datos; que en su conjunto constituyen el Hardware. El software esta formado por un programa de adquisición de datos y una interfaz de usuario, ambos codificados en Visual Basic Net. El sistema propuesto se modela por medio del lenguaje de modelado unificado (UML, ya que Visual Basic es un lenguaje orientado a eventos.

  9. Reassignment of oxygen-related defects in CdTe and CdSe

    International Nuclear Information System (INIS)

    Bastin, Dirk

    2015-01-01

    This thesis reassigns the O_T_e-V_C_d complex in CdTe and the O_S_e-V_C_d complex in CdSe to a sulfur-dioxygen complex SO_2*, and the O_C_d defect in CdSe to a V_C_dH_2 complex using Fourier transformed infrared absorption spectroscopy. The publications of the previous complexes were investigated by theoreticians who performed first-principle calculations of theses complexes. The theoreticians ruled out the assignments and proposed alternative defects, instead. The discrepancy between the experimentally obtained and theoretically proposed defects was the motivation of this work. Two local vibrational modes located at 1096.8 (ν_1) and 1108.3 cm"-"1 (ν_2) previously assigned to an O_T_e-V_C_d complex are detected in CdTe single crystals doped with CdSO_4 powder. Five weaker additional absorption lines accompanying ν_1 and ν_2 could be detected. The relative intensities of the absorption lines match a sulfur-dioxygen complex SO_2* having two configurations labeled ν_1 and ν_2. A binding energy difference of 0.5±0.1 meV between the two configurations and an energy barrier of 53±4 meV separating the two configurations are determined. Uniaxial stress applied to the crystal leads to a splitting of the absorption lines which corresponds to an orthorhombic and monoclinic symmetry for ν_1 and ν_2, respectively. In virgin and oxygen-doped CdSe single crystals, three local vibrational modes located at 1094.1 (γ_1), 1107.5 (γ_2), and 1126.3 cm"-"1 (γ_3) previously attributed to an O_S_e-V_C_d complex could be observed. The signals are accompanied by five weaker additional absorption features in their vicinity. The additional absorption lines are identified as isotope satellites of a sulfur-dioxygen complex SO_2* having three configurations γ_1, γ_2, and γ_3. IR absorption measurements with uniaxial stress applied to the CdSe crystal yield a monoclinic C_1_h symmetry for γ_1 and γ_2. The SO_2* complex is stable up to 600 C. This thesis assigns the ν-lines in

  10. Porøse materialer

    DEFF Research Database (Denmark)

    Hansen, Ernst Jan de Place

    2000-01-01

    Dette undervisningsnotat er en samling af noter, der refererer til den indledende del af kurset Materialmekanik og Porøse materailer på Insitut for Bærende Konstruktiner og Materialer (BKM).......Dette undervisningsnotat er en samling af noter, der refererer til den indledende del af kurset Materialmekanik og Porøse materailer på Insitut for Bærende Konstruktiner og Materialer (BKM)....

  11. Synthesis of rare-earth selenate and selenite materials under 'sol-gel' hydrothermal conditions: crystal structures and characterizations of La(HSeO3)(SeO4) and KNd(SeO4)2

    International Nuclear Information System (INIS)

    Liu Wei; Chen Haohong; Yang Xinxin; Li Mangrong; Zhao Jingtai

    2004-01-01

    Two rare-earth compounds containing selenium atoms, La(HSeO 3 )(SeO 4 ) with a new open framework structure and KNd(SeO 4 ) 2 with a layered structure, have been synthesized under ''sol-gel'' hydrothermal conditions for the first time. Single-crystals of La(HSeO 3 )(SeO 4 ) crystallize in the monoclinic system (P2 1 , a=8.5905(17)A, b=7.2459(14)A, c=9.5691(19)A, β=104.91(3) o , Z=2, RAll=0.032). The structure contains puckered polyhedral layers made of LaO x (x=9,10) and SeO 4 groups, which are connected via SeO 3 -uints to the 3D structure. The crytal structure of KNd(SeO 4 ) 2 (monoclinc, P2 1 /c, a=8.7182(17)A, b=7.3225(15)A, c=11.045(2)A, β=91.38(3) o , Z=4, RAll=0.051) contains honeycomb-like six-ring NdO 9 polyhedra forming layers which are further decorated with SeO 4 tetrahedra. The K + ions occupy the interspaces of these layers and provide the charge balance

  12. Robust Nanoparticles

    Science.gov (United States)

    2015-01-21

    avenues for creating flexible conducting and semiconducting materials in a variety of simple or complex geometries. B. Conducting nanoparticle...coated with poly(MPC-co-DHLA) proved stable against challenging conditions, and resisted cyanide ion digestion. Au NRs coated with poly(MPC-co-DHLA

  13. HRTEM Study of Oxide Nanoparticles in K3-ODS Ferritic Steel Developed for Radiation Tolerance

    Energy Technology Data Exchange (ETDEWEB)

    Hsiung, L; Fluss, M; Tumey, S; Kuntz, J; El-Dasher, B; Wall, M; Choi, W; Kimura, A; Willaime, F; Serruys, Y

    2009-11-02

    Crystal and interfacial structures of oxide nanoparticles and radiation damage in 16Cr-4.5Al-0.3Ti-2W-0.37 Y{sub 2}O{sub 3} ODS ferritic steel have been examined using high-resolution transmission electron microscopy (HRTEM) techniques. Oxide nanoparticles with a complex-oxide core and an amorphous shell were frequently observed. The crystal structure of complex-oxide core is identified to be mainly monoclinic Y{sub 4}Al{sub 2}O{sub 9} (YAM) oxide compound. Orientation relationships between the oxide and the matrix are found to be dependent on the particle size. Large particles (> 20 nm) tend to be incoherent and have a spherical shape, whereas small particles (< 10 nm) tend to be coherent or semi-coherent and have a faceted interface. The observations of partially amorphous nanoparticles and multiple crystalline domains formed within a nanoparticle lead us to propose a three-stage mechanism to rationalize the formation of oxide nanoparticles containing core/shell structures in as-fabricated ODS steels. Effects of nanoparticle size and density on cavity formation induced by (Fe{sup 8+} + He{sup +}) dual-beam irradiation are briefly addressed.

  14. Breathing Raman modes in Ag{sub 2}S nanoparticles obtained from F9 zeolite matrix

    Energy Technology Data Exchange (ETDEWEB)

    Delgado-Beleño, Y. [Departamento de Investigación en Física, Universidad de Sonora, Apdo. Postal 5-88, 83190 Hermosillo, Son. (Mexico); Cortez-Valadez, M., E-mail: jose.cortez@unison.mx [CONACYT Research Fellow, Departamento de Investigación en Física, Universidad de Sonora, Apdo. Postal 5-88, 83190 Hermosillo, Son. (Mexico); Martinez-Nuñez, C.E.; Britto Hurtado, R.; Alvarez, Ramón A.B.; Rocha-Rocha, O.; Arizpe-Chávez, H.; Perez-Rodríguez, A.; Flores-Acosta, M. [Departamento de Investigación en Física, Universidad de Sonora, Apdo. Postal 5-88, 83190 Hermosillo, Son. (Mexico)

    2015-12-16

    Highlights: • Raman breathing modes in small silver sulfide nanoparticles. • Low energy (AgS){sub n} clusters. • Vibrational spectra predicted by DFT. • Zeolite synthesis for small nanoparticles. - Abstract: Ag{sub 2}S nanoparticles were synthesized with a combination of synthetic F9, silver nitrate (AgNO{sub 3}) and monohydrated sodium sulfide (Na{sub 2}S{sub 9}H{sub 2}O). An ionic exchange was achieved via hydrothermal reaction. Nanoparticles with a predominant size ranging from 2 to 3 nm were obtained through Transmission Electron Microscopy (TEM). The nanoparticles feature a phase P21/n (14) monoclinic structure. A Raman band can be observed at around 250 cm{sup −1} in the nanoparticles. Furthermore, the vibrational properties and stability parameters of the clusters (AgS){sub n}, (with n = 2–9) were studied by the Density Functional Theory (DFT). The approximation levels used with DFT were: Local Spin Density Approximation (LSDA) and Becke’s three-parameter and the gradient corrected functional of Lee, Yang and Puar (B3LYP) in combination with the basis set LANL2DZ (the effective core potentials and associated double-zeta valence). The Radial Breathing Mode (RBM) for B3LYP was found between 227 and 295 cm{sup −1} as well as in longer wavelengths for LSDA.

  15. Nd2(SeO3)2(SeO4) . 2H2O - a mixed-valence compound containing selenium in the oxidation states +IV and +VI

    International Nuclear Information System (INIS)

    Berdonosov, P.S.; Dityat'yev, O.A.; Dolgikh, V.A.; Schmidt, P.; Ruck, Michael; Lightfoot, P.

    2004-01-01

    Pale pink crystals of Nd 2 (SeO 3 ) 2 (SeO 4 ) . 2H 2 O were synthesized under hydrothermal conditions from H 2 SeO 3 and Nd 2 O 3 at about 200 C. X-ray diffraction on powder and single-crystals revealed that the compound crystallizes with the monoclinic space group C 2/c (a = 12.276(1) A, b = 7.0783(5) A, c = 13.329(1) A, β = 104.276(7) ). The crystal structure of Nd 2 (SeO 3 ) 2 (SeO 4 ) . 2H 2 O is an ordered variant of the corresponding erbium compound. Eight oxygen atoms coordinate the Nd III atom in the shape of a bi-capped trigonal prism. The oxygen atoms are part of pyramidal (Se IV O 3 ) 2- groups, (Se VI O 4 ) 2- tetrahedra and water molecules. The [NdO 8 ] polyhedra share edges to form chains oriented along [010]. The selenate ions link these chains into layers parallel to (001). The layers are interconnected by the selenite ions into a three-dimensional framework. The dehydration of Nd 2 (SeO 3 ) 2 (SeO 4 ) . 2H 2 O starts at 260 C. The thermal decomposition into Nd 2 SeO 5 , SeO 2 and O 2 at 680 C is followed by further loss of SeO 2 leaving cubic Nd 2 O 3 . (Abstract Copyright [2004], Wiley Periodicals, Inc.) [de

  16. Instantaneous preparation of CuInSe2 films from elemental In, Cu, Se particles precursor films in a non-vacuum process

    International Nuclear Information System (INIS)

    Kaigawa, R.; Uesugi, T.; Yoshida, T.; Merdes, S.; Klenk, R.

    2009-01-01

    CuInSe 2 (CIS) films are successfully prepared by means of non-vacuum, instantaneous, direct synthesis from elemental In, Cu, Se particles precursor films without prior synthesis of CIS nanoparticle precursors and without selenization with H 2 Se or Se vapor. Our precursor films were prepared on metal substrates by spraying the solvent with added elemental In, Cu, and Se particles. Precursor films were instantaneously sintered using a spot welding machine. When the electric power was fixed to 0.6 kVA, elemental In, Cu, or Se peaks were not observed and only peaks of CIS are observed by X-ray diffraction (XRD) on the film sintered for 7/8 s. We can observe XRD peaks indicative of the chalcopyrite-type structure, such as (101), (103) and (211) diffraction peaks. We conclude that the synthesized CIS crystals have chalcopyrite-type structure with high crystallinity

  17. One-dimensional zinc selenophosphates: A_2ZnP_2Se_6 (A = K, Rb, Cs)

    International Nuclear Information System (INIS)

    Haynes, Alyssa S.; Lee, Katherine; Kanatzidis, Mercouri G.

    2016-01-01

    The new compounds A_2ZnP_2Se_6 (A = K, Rb, Cs) were synthesized via molten salt flux syntheses. The crystals feature one-dimensional "1/_∞[ZnP_2Se_6]"2"- chains charge balanced by alkali metal ions between the chains. K_2ZnP_2Se_6 crystallizes in the monoclinic space group P2_1/c; cell parameters a = 12.537(3) Aa, b = 7.2742(14) Aa, c = 14.164(3) Aa, β = 109.63(3) , Z = 4, and V = 1216.7(4) Aa"3. Rb_2ZnP_2Se_6 and Cs_2ZnP_2Se_6 are isotypic, crystallizing in the triclinic space group P anti 1. Rb_2ZnP_2Se_6 has cell parameters of a = 7.4944(15) Aa, b = 7.6013(15) Aa, c = 12.729(3) Aa, α = 96.57(3) , β = 105.52(3) , γ = 110.54(3) , Z = 2, and V = 636.6(2) Aa"3. Cs_2ZnP_2Se_6 has cell parameters of a = 7.6543(6) Aa, b = 7.7006(6) Aa, c = 12.7373(11) Aa, α = 97.007(7) , β = 104.335(7) , γ = 109.241(6) , Z = 2, and V = 669.54(10) Aa"3. (Copyright copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  18. Silver sulfide nanoparticle assembly obtained by reacting an assembled silver nanoparticle template with hydrogen sulfide gas.

    Science.gov (United States)

    Chen, Rui; Nuhfer, Noel T; Moussa, Laura; Morris, Hannah R; Whitmore, Paul M

    2008-11-12

    A fast, simple procedure is described for obtaining an assembly of silver sulfide nanoparticles (Ag(2)S NPs) on a glass substrate through reaction of a template of an assembled layer of silver nanoparticles (Ag NPs) with hydrogen sulfide (H(2)S) gas. The Ag NP template was prepared by assembling a monolayer of spherical Ag NPs (mean diameter of 7.4 nm) on a polyethylenimine-treated glass substrate. Exposure to pure H(2)S for 10 min converted the Ag NPs of the template to Ag(2)S NPs. The resulting Ag(2)S NP assembly, which retains the template nanostructure and particle distribution, was characterized by optical absorption spectroscopy, atomic force microscopy, transmission electron microscopy (TEM), scanning high resolution TEM, energy dispersive x-ray spectroscopy and x-ray photoelectron spectroscopy. The Ag(2)S NPs have a crystal structure of monoclinic acanthite, and while they retained the spherical shape of the original Ag NPs, their mean particle size increased to 8.4 nm due to changes to the crystal structure when the Ag NPs are converted into Ag(2)S NPs. The measured optical absorption edge of the Ag(2)S NP assembly indicated an indirect interband transition with a band gap energy of 1.71 eV. The Ag(2)S NP assembly absorbed light with wavelengths below 725 nm, and the absorbance increased monotonically toward the UV region.

  19. Chalcogenidosilicates: Ba/sub 2/SiTe/sub 4/ and Ba/sub 2/SiSe/sub 4/

    Energy Technology Data Exchange (ETDEWEB)

    Brinkmann, C; Eisenmann, B; Schaefer, H [Technische Hochschule Darmstadt (Germany, F.R.). Fachbereich Anorganische Chemie und Kernchemie

    1985-05-01

    The new compounds Ba/sub 2/SiSe/sub 4/ and Ba/sub 2/SiTe/sub 4/ crystallize in the monoclinic system, space group: P2/sub 1//m (No. 11) with the lattice constants Ba/sub 2/SiSe/sub 4/: a = 918.4(5) pm, b = 703.3(3) pm, c = 687.2(3) pm, ..beta.. = 109.2(1)/sup 0/, Ba/sub 2/SiTe/sub 4/: a = 965.0(5) pm, b = 762.6(3) pm, c = 746.6(3) pm, ..beta.. = 108.9(1)/sup 0/. Both compounds are isotypic to the Sr/sub 2/GeS/sub 4/ structure. Ba/sub 2/SiTe/sub 4/ is the first o-telluridosilicate with discrete SiTe/sub 4//sup 4 -/ anions.

  20. Sample Set (SE): SE50 [Metabolonote[Archive

    Lifescience Database Archive (English)

    Full Text Available oids We report that flavonoids with radical scavenging activity mitigate against ox...ress. These data confirm the usefulness of flavonoids for enhancing both biotic and abiotic stress tolerance...SE50 Enhancement of oxidative and drought tolerance in arabidopsis by overaccumulation of antioxidant flavon

  1. Sample Set (SE): SE59 [Metabolonote[Archive

    Lifescience Database Archive (English)

    Full Text Available idopsis thaliana (Arabidopsis). However, the behavior of flavonoids during drough...t stress is still not well documented. Herein we investigated the time-series alternation of flavonoids in t...vonoids, a class of specialized metabolites, including flavonols and anthocyanins w...SE59 Alternation of flavonoid accumulation under drought stress in Arabidopsis thaliana We reported that fla

  2. Sample Set (SE): SE27 [Metabolonote[Archive

    Lifescience Database Archive (English)

    Full Text Available SE27 Effect of agricultural films for cabbage leaf metabolites Investigation of Bra...ssica oleracea var. capitata YR Tenkuu leaf metabolites. 3 growth conditions (covered with normal or UV cut agricultura...l film or no agricultural film), 3 replicates data are examined. Takeshi Ara 1, Naoki Yamamoto 1,

  3. Sample Set (SE): SE52 [Metabolonote[Archive

    Lifescience Database Archive (English)

    Full Text Available SE52 Mass spectra-based framework for automated structural elucidation of metabolom...e data to explore phytochemical diversity A novel framework for automated elucidation of metabolite structur...te ontology system was also introduced to attain putative characterization of the metabolite signals.The automate

  4. Ud at se med Erasmus

    DEFF Research Database (Denmark)

    Frandsen, Pernille

    2009-01-01

    Få lidt luft under vingerne, kom ud at møde udenlandske kolleger og se, hvordan man også kan lave uddannelsesbibliotek. Med begejstring fortæller tre bibliotekarer om deres oplevelser i det store udland – alt sammen finansieret af Erasmus.......Få lidt luft under vingerne, kom ud at møde udenlandske kolleger og se, hvordan man også kan lave uddannelsesbibliotek. Med begejstring fortæller tre bibliotekarer om deres oplevelser i det store udland – alt sammen finansieret af Erasmus....

  5. Biogenic selenium and tellurium nanoparticles synthesized by environmental microbial isolates efficaciously inhibit bacterial planktonic cultures and biofilms

    Directory of Open Access Journals (Sweden)

    Emanuele eZonaro

    2015-06-01

    Full Text Available The present study deals with Se0- and Te0-based nanoparticles bio-synthesized by two selenite- and tellurite-reducing bacterial strains, namely Stenotrophomonas maltophilia SeITE02 and Ochrobactrum sp. MPV1, isolated from polluted sites. We discovered that, by regulating culture conditions and exposure time to the selenite and tellurite oxyanions, differently sized zero-valent Se and Te nanoparticles were produced. The results revealed that these Se0 and Te0 nanoparticles possess antimicrobial and biofilm eradication activity against E. coli JM109, P. aeruginosa PAO1, and S. aureus ATCC 25923. In particular, Se0 nanoparticles exhibited antimicrobial activity at quite low concentrations, below that of selenite. Toxic effects of both Se0 and Te0 nanoparticles can be related to the production of reactive oxygen species upon exposure of the bacterial cultures. Evidence so far achieved suggests that the antimicrobial activity seems to be strictly linked to the dimensions of the nanoparticles: indeed, the highest activity was shown by nanoparticles of smaller sizes. In particular, it is worth noting how the bacteria tested in biofilm mode responded to the treatment by Se0 and Te0 nanoparticles with a susceptibility similar to that observed in planktonic cultures. This suggests a possible exploitation of both Se0 and Te0 nanoparticles as efficacious antimicrobial agents with a remarkable biofilm eradication capacity.

  6. Synthesis of lanthanum tungstate interconnecting nanoparticles by high voltage electrospinning

    Energy Technology Data Exchange (ETDEWEB)

    Keereeta, Yanee, E-mail: ynkeereeta@gmail.com [Department of Physics and Materials Science, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Thongtem, Titipun, E-mail: ttpthongtem@yahoo.com [Department of Chemistry, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Materials Science Research Center, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Thongtem, Somchai [Department of Physics and Materials Science, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Materials Science Research Center, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand)

    2015-10-01

    Graphical abstract: - Highlights: • La{sub 2}(WO{sub 4}){sub 3} as one of semiconducting materials. • H.V. electrospinning was used to synthesize La{sub 2}(WO{sub 4}){sub 3} interconnecting nanoparticles. • A promising material for photoemission. - Abstract: Lanthanum tungstate (La{sub 2}(WO{sub 4}){sub 3}) interconnecting nanoparticles in the shape of fibers were successfully synthesized by electrospinning in combination with high temperature calcination. In this research, calcination temperature for the synthesis of the fibers evidently influenced the diameter, morphology and crystalline degree. The crystalline monoclinic La{sub 2}(WO{sub 4}){sub 3} fibers with 200–700 nm in diameter, two main Raman peaks at 945 and 927 cm{sup −1}, FTIR stretching modes at 936 and 847 cm{sup −1}, 2.02 eV energy gap and 415–430 nm blue emission were synthesized by calcination of inorganic/organic hybrid fibers at 750 °C for 5 h, characterized by X-ray diffraction, scanning electron microscopy (SEM), transmission electron microscopy (TEM), selected area electron diffraction (SAED), thermogravimetric analysis (TGA), Fourier transform infrared spectroscopy (FTIR), Raman spectroscopy, UV–visible spectroscopy and photoluminescence (PL) spectroscopy. The surface of the composite fibers before calcination was very smooth. Upon calcination the composite fibers at 750 °C for 5 h, they were transformed into nanoparticles join together in the shape of fibers with rough surface.

  7. Reversible and Irreversible Binding of Nanoparticles to Polymeric Surfaces

    Directory of Open Access Journals (Sweden)

    Wolfgang H. Binder

    2009-01-01

    Full Text Available Reversible and irreversible binding of CdSe-nanoparticles and nanorods to polymeric surfaces via a strong, multiple hydrogen bond (= Hamilton-receptor/barbituric acid is described. Based on ROMP-copolymers, the supramolecular interaction on a thin polymer film is controlled by living polymerization methods, attaching the Hamilton-receptor in various architectures, and concentrations. Strong binding is observed with CdSe-nanoparticles and CdSe-nanorods, whose surfaces are equipped with matching barbituric acid-moieties. Addition of polar solvents, able to break the hydrogen bonds leads to the detachment of the nanoparticles from the polymeric film. Irreversible binding is observed if an azide/alkine-“click”-reaction is conducted after supramolecular recognition of the nanoparticles on the polymeric surface. Thus reversible or irreversible attachment of the nanosized objects can be achieved.

  8. Fungus mediated biosynthesis of WO3 nanoparticles using Fusarium solani extract

    Science.gov (United States)

    Kavitha, N. S.; Venkatesh, K. S.; Palani, N. S.; Ilangovan, R.

    2017-05-01

    Currently nanoparticles were synthesized by emphasis bioremediation process due to less hazardous, eco-friendly and imperative applications on biogenic process. Fungus mediated biosynthesis strategy has been developed to prepare tungsten oxide nanoflakes (WO3, NFs) using the plant pathogenic fungus F.solani. The powder XRD pattern revealed the monoclinic crystal structure with improved crystalline nature of the synthesized WO3 nanoparticles. FESEM images showed the flake-like morphology of WO3, with average thickness and length around 40 nm and 300 nm respectively. The Raman spectrum of WO3 NFs showed their characteristic vibration modes that revealed the defect free nature of the WO3 NFs. Further, the elemental analysis indicated the stoichiometric composition of WO3 phase.

  9. Ud & se - med Claude Monet

    DEFF Research Database (Denmark)

    Bonde, Lisbeth

    2015-01-01

    Udstillingen 'Claude Monet - Lost in Translation - på ARoS stiller ind på Claud Monet og hans samtidige malerkolleger. Udstillingen forsøger at "genlæse" Monet fra et samtidskunstnerisk perspektiv - og vurderer hans indsats, inden hans værker er blevet reproduceret ihjel....

  10. X = S, Se, Te) heterostructures

    KAUST Repository

    Zhang, Qingyun; Schwingenschlö gl, Udo

    2018-01-01

    Using first-principles calculations, we investigate the electronic properties of the two-dimensional GaX/MX2 (M = Mo, W; X = S, Se, Te) heterostructures. Orbital hybridization between GaX and MX2 is found to result in Rashba splitting at the valence

  11. Sample Set (SE): SE47 [Metabolonote[Archive

    Lifescience Database Archive (English)

    Full Text Available SE47 Metabolomic correlation-network modules in Arabidopsis based on a graph-cluste...as a system. Typical metabolomics data show a few but significant correlations among metabolite levels when ...itions. Although several studies have assessed topologies in metabolomic correlation networks, it remains un... (mto1), and transparent testa4 (tt4) to compare systematically the metabolomic correlation...s in samples of roots and aerial parts. We then applied graph clustering to the constructed correlation

  12. AgCl-doped CdSe quantum dots with near-IR photoluminescence.

    Science.gov (United States)

    Kotin, Pavel Aleksandrovich; Bubenov, Sergey Sergeevich; Mordvinova, Natalia Evgenievna; Dorofeev, Sergey Gennadievich

    2017-01-01

    We report the synthesis of colloidal CdSe quantum dots doped with a novel Ag precursor: AgCl. The addition of AgCl causes dramatic changes in the morphology of synthesized nanocrystals from spherical nanoparticles to tetrapods and finally to large ellipsoidal nanoparticles. Ellipsoidal nanoparticles possess an intensive near-IR photoluminescence ranging up to 0.9 eV (ca. 1400 nm). In this article, we explain the reasons for the formation of the ellipsoidal nanoparticles as well as the peculiarities of the process. The structure, Ag content, and optical properties of quantum dots are also investigated. The optimal conditions for maximizing both the reaction yield and IR photoluminescence quantum yield are found.

  13. Monoclinic β-Li{sub 2}TiO{sub 3} nanocrystalline particles employing novel urea assisted solid state route: Synthesis, characterization and sintering behavior

    Energy Technology Data Exchange (ETDEWEB)

    Tripathi, Biranchi M., E-mail: biranchi.barc@gmail.com [Powder Metallurgy Division, Bhabha Atomic Research Centre, Vashi Complex, Navi Mumbai 400705 (India); Mohanty, Trupti; Prakash, Deep [Powder Metallurgy Division, Bhabha Atomic Research Centre, Vashi Complex, Navi Mumbai 400705 (India); Tyagi, A.K. [Chemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India); Sinha, P.K. [Powder Metallurgy Division, Bhabha Atomic Research Centre, Vashi Complex, Navi Mumbai 400705 (India)

    2017-07-15

    Pure phase monoclinic nano-crystalline Li{sub 2}TiO{sub 3} powder was synthesized by a novel urea assisted solid state synthesis method using readily available and economical precursors. A single phase and well crystalline Li{sub 2}TiO{sub 3} powder has been obtained at slightly lower temperature (600–700 °C) and shorter duration (2 h) as compared to the conventional solid state method. The proposed method has significant advantages in comparison to other viable methods mainly in terms of phase purity, powder properties and sinterability. Analysis of chemical composition using inductively coupled plasma atomic emission spectroscopy (ICP-AES) shows no loss of lithium from Li{sub 2}TiO{sub 3} in the proposed method. The emergence of monoclinic Li{sub 2}TiO{sub 3} phase was confirmed by X-ray diffraction (XRD) pattern of as-synthesized powder. The crystallite size of Li{sub 2}TiO{sub 3} powder was calculated to be in the range of 15–80 nm, which varied as a function of urea composition and temperature. The morphology of as-prepared Li{sub 2}TiO{sub 3} powders was examined by scanning electron microscope (SEM). The effect of urea composition on phase and morphology was investigated so as to delineate the role of urea. Upon sintering at < 1000 °C temperature, the Li{sub 2}TiO{sub 3} powder compact attained about 98% of the theoretical density with fine grained (grain size: 2–3 μm) microstructure. It indicates excellent sinter-ability of Li{sub 2}TiO{sub 3} powder synthesized by the proposed method. The fine grained structure is desirable for better tritium breeding performance of Li{sub 2}TiO{sub 3}. Electrochemical impedance spectroscopy at variable temperature showed good electrical properties of Li{sub 2}TiO{sub 3}. The proposed method is simple, anticipated to be cost effective and convenient to realise for large scale production of phase pure nanocrystalline and having significantly enhanced sinter-ability Li{sub 2}TiO{sub 3} powder.

  14. Preparation and characterization of Ce-doped HfO2 nanoparticles

    International Nuclear Information System (INIS)

    Gálvez-Barboza, S.; González, L.A.; Puente-Urbina, B.A.; Saucedo-Salazar, E.M.; García-Cerda, L.A.

    2015-01-01

    Highlights: • Ce-doped HfO 2 nanoparticles were prepared by a modified solgel method. • Ce-doped HfO 2 nanoparticles have a semispherical shape with sizes between 6 and 11.5 nm. • The samples doped with 10% in weight of Ce directly crystallized in a cubic structure. • A quick, straightforward and effective route for the preparation of Ce-doped nanoparticles. - Abstract: A modified solgel method to synthesize Ce-doped HfO 2 nanoparticles was carried out using a precursor material prepared with cerium nitrate, hafnium chloride, citric acid and ethylene glycol. The obtained precursor material was calcined at 500 and 700 °C for 2 h in air. The influence of the concentration of Ce and the calcination temperature was studied to observe the structural and morphological changes of the obtained materials. For the characterization, X-ray diffraction (XRD), transmission electron microscopy (TEM) and Raman scattering (RS) were employed. The XRD patterns shown that the Ce-doped HfO 2 undergoes a structural transformation from monoclinic to cubic phase, which is significantly dependent on the Ce content and calcination temperature. TEM images have also confirmed the existence of semispherical nanoparticles with sizes between 6 and 11.5 nm

  15. Preparation and characterization of Ce-doped HfO{sub 2} nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Gálvez-Barboza, S. [Centro de Investigación en Química Aplicada, Departamento de Materiales Avanzados, Blvd. Enrique Reyna Hermosillo #140, C.P. 25294 Saltillo, Coahuila (Mexico); Centro de Investigación y de Estudios Avanzados del Instituto Politécnico Nacional, Av. Industria Metalúrgica # 1062 Parque Industrial, C.P. 25900 Ramos Arizpe, Coahuila (Mexico); González, L.A. [Centro de Investigación y de Estudios Avanzados del Instituto Politécnico Nacional, Av. Industria Metalúrgica # 1062 Parque Industrial, C.P. 25900 Ramos Arizpe, Coahuila (Mexico); Puente-Urbina, B.A.; Saucedo-Salazar, E.M. [Centro de Investigación en Química Aplicada, Departamento de Materiales Avanzados, Blvd. Enrique Reyna Hermosillo #140, C.P. 25294 Saltillo, Coahuila (Mexico); García-Cerda, L.A., E-mail: luis.garcia@ciqa.edu.mx [Centro de Investigación en Química Aplicada, Departamento de Materiales Avanzados, Blvd. Enrique Reyna Hermosillo #140, C.P. 25294 Saltillo, Coahuila (Mexico)

    2015-09-15

    Highlights: • Ce-doped HfO{sub 2} nanoparticles were prepared by a modified solgel method. • Ce-doped HfO{sub 2} nanoparticles have a semispherical shape with sizes between 6 and 11.5 nm. • The samples doped with 10% in weight of Ce directly crystallized in a cubic structure. • A quick, straightforward and effective route for the preparation of Ce-doped nanoparticles. - Abstract: A modified solgel method to synthesize Ce-doped HfO{sub 2} nanoparticles was carried out using a precursor material prepared with cerium nitrate, hafnium chloride, citric acid and ethylene glycol. The obtained precursor material was calcined at 500 and 700 °C for 2 h in air. The influence of the concentration of Ce and the calcination temperature was studied to observe the structural and morphological changes of the obtained materials. For the characterization, X-ray diffraction (XRD), transmission electron microscopy (TEM) and Raman scattering (RS) were employed. The XRD patterns shown that the Ce-doped HfO{sub 2} undergoes a structural transformation from monoclinic to cubic phase, which is significantly dependent on the Ce content and calcination temperature. TEM images have also confirmed the existence of semispherical nanoparticles with sizes between 6 and 11.5 nm.

  16. Hablando se entiende la gente

    Directory of Open Access Journals (Sweden)

    Mila Crespo Picó

    2012-08-01

    Full Text Available Habiendo observado que muchos cursos centrados en el desarrollo de la competencia comunicativa oral se limitan a ofrecer actividades inconexas que suponen un gran esfuerzo por parte de los participantes para situarse ante cada actividad y dificultan el establecimiento de relaciones profundas entre los exponentes nociofuncionales, los objetivos comunicativos y los recursos lingüísticos necesarios para realizarlas por contar con un tiempo limitado en el aula para ello, se presentó, bajo el mismo título que esta comunicación, una propuesta didáctica para un curso de conversación que pretende paliar estos aspectos en el I Foro de Profesores de E/LE en la Universitat de València.

  17. Die verpleegster se terapeutiese funksie

    Directory of Open Access Journals (Sweden)

    D.C. Harrington

    1980-09-01

    Full Text Available Ons sou hierdie praatjie graag wou inlei met Virginia Henderson se definisie van verpleging: “ The unique function of the nurse is to assist the individual, sick or well, in the performance of those activities contributing to health or its recovery (or to a peaceful death that he would perform unaided if he had the necessary will, strength or knowledge. And to do this in such a way as to help him gain independence as rapidly as possible.”

  18. Tuning the pure monoclinic phase of WO3 and WO3-Ag nanostructures for non-enzymatic glucose sensing application with theoretical insight from electronic structure simulations

    Science.gov (United States)

    Ponnusamy, Rajeswari; Gangan, Abhijeet; Chakraborty, Brahmananda; Sekhar Rout, Chandra

    2018-01-01

    Here, we report the controlled hydrothermal synthesis and tuning of the pure monoclinic phase of WO3 and WO3-Ag nanostructures. Comparative electrochemical nonenzymatic glucose sensing properties of WO3 and WO3-Ag were investigated by cyclic voltammetry and chronoamperometric tests. We observed enhanced glucose sensing performance of WO3-Ag porous spheres as compared to bare WO3 nanoslabs. The sensitivity of the pure WO3 nanoslabs is 11.1 μA μM-1 cm-2 whereas WO3-Ag porous spheres exhibit sensitivity of 23.3 μA μM-1 cm-2. The WO3-Ag porous spheres exhibited a good linear range (5-375 μM) with excellent anti-interference property. Our experimental observations are qualitatively supported by density functional theory simulations through investigation of bonding and charge transfer mechanism of glucose on WO3 and Ag doped WO3. As the binding energy of glucose is more on the Ag doped WO3 (100) surface compared to the bare WO3 (100) surface and the Ag doped WO3 (100) surface becomes more conducting due to enhancement of density of states near the Fermi level, we can infer that Ag doped WO3 exhibits a better charge transfer media compared to bare WO3 resulting in enhanced glucose sensitivity in consistency with our experimental data.

  19. Upper and lower bounds on the set of recoverable strains and on effective energies in cubic-to-monoclinic martensitic phase transformations

    Directory of Open Access Journals (Sweden)

    Schlömerkemper Anja

    2015-01-01

    Full Text Available A major open problem in the mathematical analysis of martensitic phase transformations is the derivation of explicit formulae for the set of recoverable strains and for the relaxed energy of the system. These are governed by the mathematical notion of quasiconvexity. Here we focus on bounds on these quasiconvex hulls and envelopes in the setting of geometrically-linear elasticity. Firstly, we will present mathematical results on triples of transformation strains. This yields further insight into the quasiconvex hull of the twelve transformation strains in cubic-to-monoclinic phase transformations. Secondly, we consider bounds on the energy of such materials based on the so-called energy of mixing thus obtaining a lamination upper bound on the quasiconvex envelope of the energy. Here we present a new algorithm that yields improved upper bounds and allows us to relate numerical results for the lamination upper bound on the energy with theoretical inner bounds on the quasiconvex hull of triples of transformation strains.

  20. Tetrakis(μ2-2,2-dimethylpropanoato-κ2O,O′bis[(pyridine-κNcopper(II]: a monoclinic polymorph

    Directory of Open Access Journals (Sweden)

    Lailatun Nazirah Ozair

    2010-05-01

    Full Text Available The structure of the dinuclear title complex, [Cu2(C5H9O24(C5H5N2], represents a monoclinic polymorph of the previously reported triclinic form [Blewett et al. (2006. Acta Cryst. E62, m420–m422]. Each carboxylate group is bidentate bridging and the distorted octahedral geometry about each CuII atom is completed by a pyridine N atom and the other Cu atom [Cu...Cu = 2.6139 (7 Å]. In the crystal, molecules are connected into supramolecular chains via π–π interactions formed by the pyridine rings [centroid–centroid distance = 3.552 (3 Å] and these are connected into a two-dimensional array in the ac plane by C—H...π contacts. One of the tert-butyl groups is disordered over two orientations in a 0.734 (6:0.266 (6 ratio.

  1. DFT insights into the electronic and optical properties of fluorine-doped monoclinic niobium pentoxide (B-Nb{sub 2}O{sub 5}:F)

    Energy Technology Data Exchange (ETDEWEB)

    El-Shazly, Tamer S.; Rehim, Sayed S.A. [Ain-Shams University, Chemistry Department, Faculty of Science, Cairo (Egypt); Hassan, Walid M.I. [Cairo University, Chemistry Department, Faculty of Science, Giza (Egypt); Allam, Nageh K. [American University in Cairo, Energy Materials Lab (EML), School of Sciences and Engineering, New Cairo (Egypt)

    2016-09-15

    We report on the effect of fluorine doping on the electronic structure and optical properties of monoclinic niobium pentoxide (B-Nb{sub 2}O{sub 5}) as revealed by the first principles calculations. Density functional theory (DFT) along with generalized gradient approximation (GGA) at the revised Perdew-Burke-Ernzerhof (PBEsol) exchange-correlation functional was used in this study. The band calculations revealed that the studied materials are indirect bandgap semiconductors, with bandgap energies of 2.67 and 2.28 eV for the undoped and F-doped B-Nb{sub 2}O{sub 5}, respectively. Upon doping B-Nb{sub 2}O{sub 5}, the Fermi level shifts towards the conduction band, allowing optical absorption in the visible region with enhanced transmittance in the wavelength range 400-1000 nm. The calculated static refractive index of the undoped B-Nb{sub 2}O{sub 5} is in good agreement with the reported experimental value, which is enhanced upon F-incorporation resulting in cladding properties for the F-doped B-Nb{sub 2}O{sub 5}. Also, the effective mass of free charge carriers increased upon F-doping. The enhanced properties were attributed to the effect of the excessive valent electron of the incorporated F atom. (orig.)

  2. Electron mobility in monoclinic β-Ga2O3—Effect of plasmon-phonon coupling, anisotropy, and confinement

    Science.gov (United States)

    Ghosh, Krishnendu; Singisetti, Uttam

    2017-11-01

    This work reports an investigation of electron transport in monoclinic \\beta-Ga2O3 based on a combination of density functional perturbation theory based lattice dynamical computations, coupling calculation of lattice modes with collective plasmon oscillations and Boltzmann theory based transport calculations. The strong entanglement of the plasmon with the different longitudinal optical (LO) modes make the role LO-plasmon coupling crucial for transport. The electron density dependence of the electron mobility in \\beta-Ga2O3 is studied in bulk material form and also in the form of two-dimensional electron gas. Under high electron density a bulk mobility of 182 cm2/ V.s is predicted while in 2DEG form the corresponding mobility is about 418 cm2/V.s when remote impurities are present at the interface and improves further as the remote impurity center moves away from the interface. The trend of the electron mobility shows promise for realizing high electron mobility in dopant isolated electron channels. The experimentally observed small anisotropy in mobility is traced through a transient Monte Carlo simulation. It is found that the anisotropy of the IR active phonon modes is responsible for giving rise to the anisotropy in low-field electron mobility.

  3. The monoclinic superstructure of the M{sub 2}Pt{sub 6}Al{sub 15} series (M=Ca, Sc, Y, La, Lu)

    Energy Technology Data Exchange (ETDEWEB)

    Radzieowski, Mathis; Stegemann, Frank; Hoffmann, Rolf-Dieter [Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie; Janka, Oliver [Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie; Oldenburg Univ. (Germany). Inst. fuer Chemie

    2017-07-01

    The five ternary intermetallic compounds M{sub 2}Pt{sub 6}Al{sub 15} (M=Ca, Sc, Y, La, Lu) were prepared from the elements by arc-melting. The crystal structure was determined via single crystal X-ray diffraction. The title compounds crystallize in a superstructure of the RE{sub 0.67}Pt{sub 2}Al{sub 5} type structure (P6{sub 3}/mmc) in the monoclinic crystal system with space group P12{sub 1}/m1 (Sc{sub 2}Pt{sub 6}Al{sub 15}: a=734.19(2), b=1628.96(10), c=734.19(2) pm, β=119.999(3) ; wR=0.0356, 3034 F{sup 2} values, 68 variables). The superstructure can be derived by the superspace formalism using (3+2)D or (3+1)D interpretations of the diffraction data. The structural relation to the subcell structure is discussed on the basis of a group-subgroup scheme. In the crystal structure strongly bonded [Pt{sub 2}Al{sub 4}]{sup δ-} slabs are alternatingly stacked with ordered layers containing M atoms and Al{sub 3} triangles.

  4. X-ray diffraction studies of the Tl(GaS{sub 2}){sub 1–x}(InSe{sub 2}){sub x} solid solutions

    Energy Technology Data Exchange (ETDEWEB)

    Sheleg, A. U.; Hurtavy, V. G., E-mail: hurtavy@physics.by; Chumak, V. A. [National Academy of Sciences of Belarus, Scientific-Practical Materials Research Center (Belarus); Mustafaeva, S. N.; Kerimova, E. M. [Azerbaijan National Academy of Sciences, Institute of Physics (Azerbaijan)

    2016-07-15

    The unit-cell parameters of crystals obtained in the Tl(GaS{sub 2}){sub 1–x}(InSe{sub 2}){sub x} system are measured by X-ray diffraction. The relationship between these parameters and composition is determined. It is shown that, with growing x, the a, b, and c parameters increase and the β angle decreases. Two types of solid solutions are found in the Tl(GaS{sub 2}){sub 1–x}(InSe{sub 2}){sub x} system: one is based on compound TlGaS{sub 2} with monoclinic structure and the other is based on TlInSe{sub 2} with tetragonal structure.

  5. Improved polymer thin-film wetting behavior through nanoparticle segregation to interfaces

    International Nuclear Information System (INIS)

    Krishnan, R S; Mackay, M E; Duxbury, P M; Hawker, C J; Asokan, Suba; Wong, Michael S; Goyette, Rick; Thiyagarajan, P

    2007-01-01

    We report a systematic study of improved wetting behavior for thin polymer films containing nanoparticles, as a function of nanoparticle size and concentration, the energy of the substrate and the dielectric properties of the nanoparticles. An enthalpy matched system consisting of polystyrene nanoparticles in linear polystyrene is used to show that nanoparticles are uniformly distributed in the film after spin coating and drying. However, on annealing the film above its bulk glass transition temperature these nanoparticles segregate strongly to the solid substrate. We find that for a wide range of film thicknesses and nanoparticle sizes, a substrate coverage of nanoparticles of approximately a monolayer is required for dewetting inhibition. Cadmium selenide quantum dots also inhibit dewetting of polystyrene thin films, again when a monolayer is present. Moreover, TEM microscopy images indicate that CdSe quantum dots segregate primarily to the air interface. Theoretical interpretation of these phenomena suggests that gain of linear chain configurational entropy promotes segregation of nanoparticles to the solid substrate, as occurs for polystyrene nanoparticles; however, for CdSe nanoparticles this is offset by surface energy or enthalpic terms which promote segregation of the nanoparticles to the air interface

  6. Optimal sample preparation for nanoparticle metrology (statistical size measurements) using atomic force microscopy

    International Nuclear Information System (INIS)

    Hoo, Christopher M.; Doan, Trang; Starostin, Natasha; West, Paul E.; Mecartney, Martha L.

    2010-01-01

    Optimal deposition procedures are determined for nanoparticle size characterization by atomic force microscopy (AFM). Accurate nanoparticle size distribution analysis with AFM requires non-agglomerated nanoparticles on a flat substrate. The deposition of polystyrene (100 nm), silica (300 and 100 nm), gold (100 nm), and CdSe quantum dot (2-5 nm) nanoparticles by spin coating was optimized for size distribution measurements by AFM. Factors influencing deposition include spin speed, concentration, solvent, and pH. A comparison using spin coating, static evaporation, and a new fluid cell deposition method for depositing nanoparticles is also made. The fluid cell allows for a more uniform and higher density deposition of nanoparticles on a substrate at laminar flow rates, making nanoparticle size analysis via AFM more efficient and also offers the potential for nanoparticle analysis in liquid environments.

  7. Iron clustering in GaSe epilayers grown on GaAs(111)B

    International Nuclear Information System (INIS)

    Moraes, A R de; Mosca, D H; Mattoso, N; Guimaraes, J L; Klein, J J; Schreiner, W H; Souza, P E N de; Oliveira, A J A de; Vasconcellos, M A Z de; Demaille, D; Eddrief, M; Etgens, V H

    2006-01-01

    In this paper we report on the structural, morphological and magnetic properties of semiconducting GaSe epilayers, grown by molecular beam epitaxy, doped to different iron contents (ranging from 1 to 22 at.% Fe). Our results indicate that iron forms metallic Fe nanoparticles with diameters ranging from 1 to 20 nm embedded in the crystalline GaSe matrix. The Fe incorporation proceeds by segregation and agglomeration and induces a progressive disruption of the lamellar GaSe epilayers. The magnetization as a function of the temperature for zero-field cooling with the magnetic field parallel to the surface of the sample provides evidence of superparamagnetic behaviour of the nanoparticles. Cathodoluminescence experiments performed at room temperature reveal semiconducting behaviour even for samples with Fe concentrations as high as 20 at.%

  8. Preparation and photocatalytic activity of hollow ZnSe microspheres via Ostwald ripening

    International Nuclear Information System (INIS)

    Zhang Lihui; Yang Heqing; Xie Xiaoli; Zhang Fenghua; Li Li

    2009-01-01

    Hollow ZnSe microspheres were prepared via a facile hydrothermal reaction of Zn(AC) 2 .2H 2 O with Na 2 SeO 3 and ethylene glycol in NaOH solution at 180 deg. C for 12 h. The products were characterized by means of X-ray diffraction, scanning electron microscopy, transmission electron microscopy and Raman spectrum. The hollow microspheres with the diameters of about 2 μm are constructed from ZnSe nanoparticles with the cubic zinc blende structure, the size of hollow interiors and constituent ZnSe nanodots can be tuned by changing the reaction time. The hollow microspheres are formed via an Ostwald ripening process. Photoluminescence and photocatalytic activity of the hollow ZnSe microspheres were studied at room temperature. The results indicate that the hollow microspheres constructed from ZnSe nanoparticles display a strong near-band edge emission at 479 nm and a very weak deep defect (DD) related emission at 556 nm and a high photocatalytic activity in the photodegradation of methyl orange. The photodegradation of methyl orange catalyzed by the ZnSe microspheres is a pseudo first-order reaction

  9. Monoclinic MB phase and phase instability in [110] field cooled Pb(Zn1/3Nb2/3)O3-4.5%PbTiO3 single crystals

    Science.gov (United States)

    Yao, Jianjun; Cao, Hu; Ge, Wenwei; Li, Jiefang; Viehland, D.

    2009-08-01

    We report the finding of a monoclinic MB phase in Pb(Zn1/3Nb2/3)O3-4.5%PbTiO3 single crystals. High precision x-ray diffraction investigations of [110] field cooled crystals have shown a transformation sequence of cubic(C)→tetragonal(T)→orthorhombic(O)→monoclinic(MB), which is different from that previously reported [A.-E. Renault et al., J. Appl. Phys. 97, 044105 (2005)]. Beginning in the zero-field-cooled condition at 383 K, a rhombohedral (R)→MB→O sequence was observed with increasing field. Coexisting MB and O phases were then found upon removal of field, which fully transformed to MB on cooling to room temperature.

  10. Extended networks, porous sheets, and chiral frameworks. Thorium materials containing mixed geometry anions: Structures and properties of Th(SeO3)(SeO4), Th(IO3)2(SeO4)(H2O)3.H2O, and Th(CrO4)(IO3)2

    International Nuclear Information System (INIS)

    Sullens, Tyler A.; Almond, Philip M.; Byrd, Jessica A.; Beitz, James V.; Bray, Travis H.; Albrecht-Schmitt, Thomas E.

    2006-01-01

    Three novel Th(IV) compounds containing heavy oxoanions, Th(SeO 3 )(SeO 4 ) (1), Th(IO 3 ) 2 (SeO 4 )(H 2 O) 3 .H 2 O (2), and Th(CrO 4 )(IO 3 ) 2 (3), have been synthesized under mild hydrothermal conditions. Each of these three distinct structures contain trigonal pyramidal and tetrahedral oxoanions. Compound 1 adopts a three-dimensional structure formed from ThO 9 tricapped trigonal prisms, trigonal pyramidal selenite, SeO 3 2- , anions containing Se(IV), and tetrahedral selenate, SeO 4 2- , anions containing Se(VI). The structure of 2 contains two-dimensional porous sheets and occluded water molecules. The Th centers are found as isolated ThO 9 tricapped trigonal prisms and are bound by four trigonal pyramidal iodate anions, two tetrahedral selenate anions, and three coordinating water molecules. In the structure of 3, the Th(IV) cations are found as ThO 9 tricapped trigonal prisms. Each Th center is bound by six IO 3 1- anions and three CrO 4 2- anions forming a chiral three-dimensional structure. Second-harmonic generation of 532nm light from 1064nm radiation by a polycrystalline sample of 3 was observed. Crystallographic data (193K, MoKα, λ=0.71073): 1; monoclinic, P2 1 /c; a=7.0351(5)A, b=9.5259(7)A, c=9.0266(7)A, β=103.128(1), Z=4, R(F)=2.47% for 91 parameters with 1462 reflections with I>2σ(I); 2, monoclinic, P2 1 /n, a=7.4889(9)A, b=8.002(1)A, c=20.165(3)A, β=100.142(2), Z=4, R(F)=4.71% for 158 parameters with 2934 reflections with I>2σ(I); 3, orthorhombic, P2 1 2 1 2 1 , a=7.3672(5)A, b=9.3617(6)A, c=11.9201(7)A, Z=4, R(F)=2.04% for 129 parameters with 2035 reflections with I>2σ(I)

  11. Syntheses, structures, and properties of Ag4(Mo2O5)(SeO4)2(SeO3) and Ag2(MoO3)3SeO3

    International Nuclear Information System (INIS)

    Ling Jie; Albrecht-Schmitt, Thomas E.

    2007-01-01

    Ag 4 (Mo 2 O 5 )(SeO 4 ) 2 (SeO 3 ) has been synthesized by reacting AgNO 3 , MoO 3 , and selenic acid under mild hydrothermal conditions. The structure of this compound consists of cis-MoO 2 2+ molybdenyl units that are bridged to neighboring molybdenyl moieties by selenate anions and by a bridging oxo anion. These dimeric units are joined by selenite anions to yield zigzag one-dimensional chains that extended down the c-axis. Individual chains are polar with the C 2 distortion of the Mo(VI) octahedra aligning on one side of each chain. However, the overall structure is centrosymmetric because neighboring chains have opposite alignment of the C 2 distortion. Upon heating Ag 4 (Mo 2 O 5 )(SeO 4 ) 2 (SeO 3 ) looses SeO 2 in two distinct steps to yield Ag 2 MoO 4 . Crystallographic data: (193 K; MoKα, λ=0.71073 A): orthorhombic, space group Pbcm, a=5.6557(3), b=15.8904(7), c=15.7938(7) A, V=1419.41(12), Z=4, R(F)=2.72% for 121 parameters with 1829 reflections with I>2σ(I). Ag 2 (MoO 3 ) 3 SeO 3 was synthesized by reacting AgNO 3 with MoO 3 , SeO 2 , and HF under hydrothermal conditions. The structure of Ag 2 (MoO 3 ) 3 SeO 3 consists of three crystallographically unique Mo(VI) centers that are in 2+2+2 coordination environments with two long, two intermediate, and two short bonds. These MoO 6 units are connected to form a molybdenyl ribbon that extends along the c-axis. These ribbons are further connected together through tridentate selenite anions to form two-dimensional layers in the [bc] plane. Crystallographic data: (193 K; MoKα, λ=0.71073 A): monoclinic, space group P2 1 /n, a=7.7034(5), b=11.1485(8), c=12.7500(9) A, β=105.018(1) V=1002.7(2), Z=4, R(F)=3.45% for 164 parameters with 2454 reflections with I>2σ(I). Ag 2 (MoO 3 ) 3 SeO 3 decomposes to Ag 2 Mo 3 O 10 on heating above 550 deg. C. - Graphical abstract: A view of the one-dimensional [(Mo 2 O 5 )(SeO 4 ) 2 (SeO 3 )] 4- chains that extend down the c-axis in the structure of Ag 4 (Mo 2 O 5 )(SeO 4

  12. Molecular dynamics simulation and x-ray structural studies of mode-coupling in monoclinic K2ZnBr4

    International Nuclear Information System (INIS)

    Machida, Mitsuo; Itoh, Hideaki; Koyano, Nobumitsu

    2003-01-01

    The mode-coupling between the rotational and translational motions in the monoclinic K 2 ZnBr 4 was studied by the molecular dynamics simulation and X-ray structure analysis. In the structure analysis, the Fourier analysis indicates that, in the paraelectric phase, electron densities of the bromines Br1 and Br2 on the mirror plane are fairly elongated in the b direction, while the density of the bromine Br3 at the general position spreads more or less in the a direction. In the ferroelectric phase, the elongation is suppressed in particular for Br1 and Br2, and the densities of Br3 and Br4, which are equivalent each other in the paraelectric phase, are nearly isotropic. In addition, Br1 and Br2 displace in the b direction through the rotation of the ZnBr 4 2- ion about the a axis. In the simulation, the ZnBr 4 2- ions are treated as rigid-bodies. The trajectories of the bromines reproduce satisfactorily the characteristic feature of the Fourier maps. This means that the ZnBr 4 2- ions are approximately regarded as rigid-bodies even in the real K 2 ZnBr 4 . The mode-coupling analysis shows that, in the ZnBr 4 2- rigid-bodies, the rotational motion about the a axis and the translational motion in the b direction couple strongly. Moreover, the displacements of rotational and translational motions in the b direction are almost synchronous for Br1 and Br2, and almost asynchronous for Br3 and Br4. (author)

  13. Effect of cooling rate on tetragonal to monoclinic transformation in hot pressed ZrO2(Y2O3) ceramics

    International Nuclear Information System (INIS)

    Zhu, W.Z.; Ding, Z.S.; Lei, T.C.; Zhou, Y.

    1995-01-01

    It is well documented that the tetragonal (T) to monoclinic (M) transition in either pure zirconia or partially stabilized zirconia is the origin of toughening in that resistance to the propagation of cracks can be greatly enhanced by the concurrent appearance of the stress field of the transformation. In the present paper, the effect of cooling rate on the T → M phase transformation in yttria-containing zirconia and its resultant mechanical properties have been studied by means of thermal expansion analysis. Both the T → M and M → T transformations are affected by the cooling and heating rates, respectively. The amount of M-phase decreases with increasing cooling rate. T → M transition occurring within the interior part of specimen can be completely inhibited by the cooling rate of 100 C/min for ZrO 2 (2mol% Y 2 O 3 ) ceramic sintered at 1,600 C. The start point and end point of the T → M transformation decreases and increases, respectively, with increasing cooling rate. Both the start point and end point of the M → T transformation increase with increasing cooling rate. The divergence between the results of X-ray diffraction and the thermal expansion analysis has been rationalized in terms of the both internal and external factors, namely, preferential sites of surface for the formation of the M-phase and limited sensitivity of measurement of the thermal expansion apparatus. Both the water-cooled and air-cooled specimens show much improved mechanical properties regardless of the sintering temperatures or yttria content because of the relatively higher T-phase fraction retained to room temperature

  14. Water-gas shift. An examination of Pt promoted MgO and tetragonal and monoclinic ZrO2 by in situ drifts

    International Nuclear Information System (INIS)

    Chenu, Emilie; Jacobs, Gary; Crawford, Adam C.; Keogh, Robert A.; Patterson, Patricia M.; Sparks, Dennis E.; Davis, Burtron H.

    2005-01-01

    In situ DRIFTS measurements on unpromoted and Pt promoted MgO and ZrO 2 (both tetragonal and monoclinic) indicate that at high H 2 O/CO ratios, where the reaction rate has been reported to be zero order in H 2 O and first order in CO, the mechanism involved in the catalysis of water-gas shift is likely a surface formate mechanism, in agreement with Shido and Iwasawa. Pt was found to catalyze the removal of surface carbonates and to facilitate the generation of active OH groups relative to the unpromoted catalyst. Comparison with Pt/ceria revealed that the OH groups involved in the catalysis of magnesia and zirconia may be those of the bridging variety which occur at defect sites. That is, water dissociated over vacancies to produce bridging OH groups, as observed by infrared spectroscopy. The existence of such an adsorbed species is implied in the zero reaction order for water, where kinetics suggests that the surface should be saturated by an adsorbed water species. The lower extent of vacancy formation for magnesia and zirconia-based materials in comparison with ceria could explain a lower surface population of active bridging OH groups. CO was used as a probe molecule of the reduced centers, as it reacts with bridging OH groups to generate surface formates, a proposed WGS intermediate, and the decomposition of which is proposed to be the rate-limiting step. The trends in formate intensity by CO adsorption and CO conversion in WGS catalytic testing both followed the order: Pt/ceria>Pt/m-zirconia>Pt/t-zirconia>Pt/magnesia. In all cases, a normal kinetic isotope effect was observed in switching from H 2 O to D 2 O, consistent with a link between the rate-limiting step and the decomposition of surface formates, as noted previously by Shido and Iwasawa for Rh/ceria, MgO, and ZnO

  15. Deuterium resonance of KD3(SeO3)2 single crystals above and below phase transition

    International Nuclear Information System (INIS)

    Grande, S.; Mecke, H.D.; Shuvalov, L.A.

    1978-01-01

    Deuterium resonance investigations of KD 3 (SeO 3 ) 2 single crystals are performed both in the paraelectric and ferroelastic phase. The electric quadrupole coupling constants lie between 120 and 180 kHz. The directions of the qsub(zz)-components of the EFG-tensors are in good agreement with the hydrogen bond directions determined by X-ray structure analysis and neutron scattering. There are two types of hydrogen bonds with different behaviour at phase transition. The O(2)...H...O(2) bond shows an order-disorder process in contrast to the O(3)-H...O(1) bond being present below Tsub(c) in two bond lengths. The first bond turns out of the ac-plane by the monoclinic angle. The temperature dependence of the spectra is examined at a defined orientation between room temperature and -40 0 C. (author)

  16. Selenium Se and tellurium Te

    International Nuclear Information System (INIS)

    Busev, A.I.; Tiptsova, V.G.; Ivanov, V.M.

    1978-01-01

    The basic methods for determining selenium and tellurium in various objects are presented. The bichromatometric determination of Te in cadmium, zinc and mercury tellurides is based on oxidation of Te(4) to (6) in H 2 SO 4 with potassium bichromate. In steels, Te is determined photometrically with the aid of KI. The determination is hindered by Fe(3), Cu(2), Bi(3) and Se(4) ions, which must be separated. The extraction-photometric determination of Te in native sulfur is carried out with the aid of 5-mercapto-3-(naphthyl-2)-1,3,4-thiadiazolthione-2 (pH=4.8-5.0). The dyed complex is readily extracted with chloroform and benzene. The spectrophotometric determination of Te in selenium is performed with the aid of 3,5-diphenylpyrazoline-1-dithiocarbamate of sodium. Te is determined in commercial indium, arsenic and their semiconductor compounds photometrically with the aid of copper diethyldithiocarbamate. The method permits determining 5x10 -5 % Te in a weighed amount of 0.5 g. The chloride complex of Te(4) with diantipyriodolpropylmethane is quantitatively extracted with dichloroethane from hydrochloric acid solutions. Thus, any amounts of Te can be separated from Se and determined photometrically. The extraction-photometric determination of Te in commercial lead and bismuth is carried out with the aid of pyrazolone derivatives, in commercial copper with the aid of diantipyridolpropylmethane, and in ores (more than 0.01% Te) with the aid of bismuthol 2. Also described is the extraction-polarographic determination of Te in sulfide ores

  17. Se metallomics during lactic fermentation of Se-enriched yogurt.

    Science.gov (United States)

    Palomo, María; Gutiérrez, Ana M; Pérez-Conde, M Concepción; Cámara, Carmen; Madrid, Yolanda

    2014-12-01

    Selenium biotransformation by lactic acid bacteria during the preparation of Se-enriched yogurt was evaluated. The study focused on the distribution of selenium in the aqueous soluble protein fraction and the detection of selenoamino acids. Screening of selenium in Tris-buffer-urea soluble fraction was carried out by sodium dodecyl sulphate polyacrylamide gel electrophoresis after pre-fractionating with asymmetric field flow fractionation using inductively coupled plasma-mass spectrometry as the detector. Selenium-containing fractions were identified by peptide mapping using nano LC-ESI/LTQMS. Proteins such as thioredoxin, glutaredoxin, albumin, β-lactoglobulin, and lactoperoxidase were identified in the selenium-containing fraction. All these proteins were detected in both the control and the selenium-enriched yogurt except chaperones, which were only detected in the control samples. Chaperones are heat-shock proteins expressed in response to elevated temperature or other cellular stresses. Selenium may have an effect on chaperones expression in Lactobacillus. For the amino acids analysis, selenocysteine was the primary seleno-containing species. Copyright © 2014 Elsevier Ltd. All rights reserved.

  18. Real-time in-situ monitoring of the topotactic transformation of TlCu{sub 3}Se{sub 2} into TlCu{sub 2}Se{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Ångström, J.; Sahlberg, M.; Berger, R.

    2015-07-15

    Highlights: • Topotactic transition from TlCu{sub 3}Se{sub 2} to TlCu{sub 2}Se{sub 2} followed in situ. • Synchrotron radiation X-ray powder diffraction enabled short scans. • Relative abundance of phases refined from powder data. • Opens up for studying similar systems in the same manner. - Abstract: The solid state transformation of monoclinic TlCu{sub 3}Se{sub 2} into tetragonal TlCu{sub 2}Se{sub 2} by oxidative copper leaching in concentrated ammonia solution has been studied in situ by the use of synchrotron radiation. The diffraction patterns of parent and daughter phase are both sharp, indicating a strong topotactic relationship between them that effectuates a rapid change by “chimie douce” performed at +19 °C. The transformation rate is strongly connected to the access of oxygen from the surrounding air. The transformation was followed in a real-time mode, being almost complete after 2.5 h with 1 h incubation due to low oxygen content, as shown from refining the diffraction patterns by Rietveld profile technique.

  19. Antibacterial effect of the laser-generated Se nanocoatings on Staphylococcus aureus and Pseudomonas aeruginosa biofilms

    Science.gov (United States)

    Ionin, A. A.; Ivanova, A. K.; Khmel'nitskii, R. A.; Klevkov, Yu V.; Kudryashov, S. I.; Levchenko, A. O.; Nastulyavichus, A. A.; Rudenko, A. A.; Saraeva, I. N.; Smirnov, N. A.; Zayarny, D. A.; Gonchukov, S. A.; Tolordava, E. R.

    2018-01-01

    The antibacterial properties of selenium nanoparticles (Se NPs) were successfully demonstrated in vitro for Staphylococcus aureus and Pseudomonas aeruginosa biofilms. The possible mechanisms of antibacterial impact included the emergence of reactive oxygen species, induced by free radicals on the NP surface and accompanied by subsequent oxidative stress, as well as mechanical decomposition of the mitochondrial membrane. Se nanocoatings were deposited on bare and silver-coated silica glass substrates via inkjet printing with concentrated nanoinks, prepared by infrared laser-ablative processing of a solid Se target in a 50%-isopropyl solution. The resulted porous nanofilms with high-percentage surface coverage, consisting of spherical Se NPs and Se nanorods, were characterized by means of standard microscopy techniques (optical, scanning electron, transmission), UV-vis-IR and EDX spectroscopy.

  20. Layer Structured Bismuth Selenides of Bi2Se3 and Bi3Se4 for High Energy and Flexible All-Solid-State Micro-Supercapacitors.

    Science.gov (United States)

    Hao, Chunxue; Wang, Lidan; Wen, Fusheng; Xiang, Jianyong; Li, Lei; Hu, Wentao; Liu, Zhongyuan

    2017-12-20

    Bismuth selenides (Bi2Se3 and Bi3Se4), both of which have the layered rhombohedral crystal structure, and found to be useful as electrode materials for supercapacitor application in this work. Bi2Se3 nanoplates as electrode material exhibit much better performance than that of Bi3Se4 nanoparticles in liquid electrolyte system (6 M KOH), which delivers a higher specific capacitance (272.9 F/g) than that of Bi3Se4 (193.6 F/g) at 5 mV/s. This result would may be attributed to that Bi2Se3 nanoplates possess more active electrochemical surfaces for the reversible surface redox reactions owing to its planar quintuple stacked layers (septuple layers for Bi3Se4). For the demand of electronic skin, we used a novel flexible annular interdigital structure electrode applying for all-solid-state micro-supercapacitors (AMSCs). Bi2Se3 AMSCs device delivers a much more excellent supercapacitor performance, exhibits a large stack capacitance 89.5 F/cm3 (Bi3Se4: 79.1 F/cm3) at 20 mV/s, a high energy density 17.9 mWh/cm3 and high power density 18.9 W/cm3. The bismuth selenides also exhibit good cycle stability, retention 95.5% (90.3%) after 1000 c for Bi2Se3 (Bi3Se4). Obviously, Bi2Se3 nanoplates can be promising electrode materials for flexible annular interdigital all-solid-sate supercapacitor. © 2017 IOP Publishing Ltd.

  1. Layer structured bismuth selenides Bi2Se3 and Bi3Se4 for high energy and flexible all-solid-state micro-supercapacitors

    Science.gov (United States)

    Hao, Chunxue; Wang, Lidan; Wen, Fusheng; Xiang, Jianyong; Li, Lei; Hu, Wentao; Liu, Zhongyuan

    2018-02-01

    In this work, bismuth selenides (Bi2Se3 and Bi3Se4), both of which have a layered rhombohedral crystal structure, have been found to be useful as electrode materials for supercapacitor applications. In a liquid electrolyte system (6M KOH), Bi2Se3 nanoplates exhibit much better performance as an electrode material than Bi3Se4 nanoparticles do, delivering a higher specific capacitance (272.9 F g-1) than that of Bi3Se4 (193.6 F g-1) at 5 mV s-1. This result may be attributed to the fact that Bi2Se3 nanoplates possess more active electrochemical surfaces for the reversible surface redox reactions owing to their planar quintuple stacked layers (septuple layers for Bi3Se4). To meet the demands of electronic skin, we used a novel flexible annular interdigital structure electrode to support the all-solid-state micro-supercapacitors (AMSCs). The Bi2Se3 AMSC device delivers a much better supercapacitor performance, exhibits a large stack capacitance of 89.5 F cm-3 at 20 mV s-1 (Bi3Se4: 79.1 F cm-3), a high energy density of 17.9 mWh cm-3 and a high power density of 18.9 W cm-3. The bismuth selenides also exhibit good cycle stability, with 95.5% retention after 1000 c for Bi2Se3 (Bi3Se4:90.3%). Clearly, Bi2Se3 nanoplates can be promising electrode materials for flexible annular interdigital AMSCs.

  2. Interferometric investigation and simulation of refractive index in glass matrixes containing nanoparticles of varying sizes

    Energy Technology Data Exchange (ETDEWEB)

    Feeney, Michael Gerard; Ince, Rabia; Yukselici, Mehmet Hikmet; Allahverdi, Cagdas

    2011-07-01

    The relationship between refractive index and nanoparticle radii of cadmium selenide (CdSe) nanoparticles embedded within glass matrixes was investigated experimentally and by simulations. A homemade automated Michelson interferometer arrangement employing a rotating table and a He-Ne laser source at a wavelength of 632.8 nm determined the refractive index versus nanoparticle radii of embedded cadmium selenide (CdSe) nanoparticles. The refractive index was found to decrease linearly with nanoparticle radius increase. However, one sample showed a step increase in refractive index; on spectroscopic analysis, it was found that its resonant wavelength matched that of the He-Ne source wavelength. The simulations showed that two conditions caused the step increase in refractive index: low plasma frequency and matched sample and source resonances. This simple interferometer setup defines a new method of determining the radii of nanoparticles embedded in substrates and enables refractive index tailoring by modification of exact annealing conditions.

  3. Investigation on the influence of pH on structure and photoelectrochemical properties of CdSe electrolytically deposited into TiO2 nanotube arrays

    International Nuclear Information System (INIS)

    Xue, Jinbo; Shen, Qianqian; Yang, Fei; Liang, Wei; Liu, Xuguang

    2014-01-01

    Highlights: • There-dimensional CdSe-TiO 2 multijunction was fabricated by electrochemical method. • CdSe nanoparticles had a good bonding with the walls of TiO 2 nanotube. • pH value played an important role in the quality of CdSe-TiO 2 interfaces. - Abstract: In this work, we fabricated CdSe/TiO 2 nanotube arrays (NTAs) by electrochemical method. In electrodeposition, the pH value of the electrolyte played an important role in formation of CdSe nanoparticles. As the pH value decreased, more CdSe deposited on TiO 2 NTAs. Scanning electron microscopy and transmission electron microscopy characterization shows that the CdSe nanoparticles were uniformly deposited on and into TiO 2 nanotubes when the pH value was 3, and this structure fully utilized the three-dimensional (3D) space of TiO 2 nanotubes to form 3D multijunction heterostructures. According to the photoelectrochemical test, the CdSe/TiO 2 NTAs sample prepared at pH = 3 exhibited maximum photocurrent and open circuit potential. This is because that the deposited CdSe nanoparticles had better bond with the walls of TiO 2 nanotube than the samples deposited at other pH values, which facilitated the propagation and kinetic separation of photogenerated charges

  4. A novel inorganic precipitation-peptization method for VO2 sol and VO2 nanoparticles preparation: Synthesis, characterization and mechanism.

    Science.gov (United States)

    Li, Yao; Jiang, Peng; Xiang, Wei; Ran, Fanyong; Cao, Wenbin

    2016-01-15

    In this paper, a simple, safe and cost-saving precipitation-peptization method was proposed to prepare VO2 sol by using inorganic VOSO4-NH3⋅H2O-H2O2 reactants system in air under room temperature. In this process, VOSO4 was firstly precipitated to form VO(OH)2, then monometallic species of VO(O2)(OH)(-) were formed through the coordination between VO(OH)2 and H2O2. The rearrangement of VO(O2)(OH)(-) in a nonplanar pattern and intermolecular condensation reactions result in multinuclear species. Finally, VO2 sol is prepared through the condensation reactions between the multinuclear species. After drying the obtained sol at 40°C, VO2 xerogel exhibiting monoclinic crystal structure with the space group of C2/m was prepared. The crystal structure of VO2 nanoparticles was transferred to monoclinic crystal structure with the space group of P21/c (VO2(M)) by annealing the xerogel at 550°C. Both XRD and TEM analysis indicated that the nanoparticles possess good crystallinity with crystallite size of 34.5nm as estimated by Scherrer's method. These results suggest that the VO2 sol has been prepared successfully through the proposed simple method. Copyright © 2015 Elsevier Inc. All rights reserved.

  5. Functionalization of fabrics with PANI/CuO nanoparticles by precipitation route for anti-bacterial applications

    Energy Technology Data Exchange (ETDEWEB)

    Thampi, V. V. Anusha; Thanka Rajan, S.; Anupriya, K.; Subramanian, B., E-mail: subramanianb3@gmail.com, E-mail: bsmanian@cecri.res.in [CSIR-Central Electrochemical Research Institute (India)

    2015-01-15

    The present work aims at developing copper oxide nanocrystals immobilized onto the fabrics for the improvement of antimicrobial activity. The CuO nanocrytstals were deposited onto woven fabrics and non-woven fabrics through chemical precipitation route. The samples were characterized by XRD, Raman spectroscopy, FE-SEM, and TEM. The presence of CuO on the surface of the fabrics was confirmed by EDAX. The CuO nanoparticles were found to have grown to a size of 50 nm with a monoclinic structure. The antibacterial activities were assessed for the coated CuO samples by the agar diffusion plate method followed by FE-SEM. To promote the slow release of Cu ions into the medium from the fabric matrix, the synthesized nanoparticles were immobilized in polyaniline polymer matrix before being coated onto the fabric samples, and the results are discussed.Graphical Abstract.

  6. Functionalization of fabrics with PANI/CuO nanoparticles by precipitation route for anti-bacterial applications

    International Nuclear Information System (INIS)

    Thampi, V. V. Anusha; Thanka Rajan, S.; Anupriya, K.; Subramanian, B.

    2015-01-01

    The present work aims at developing copper oxide nanocrystals immobilized onto the fabrics for the improvement of antimicrobial activity. The CuO nanocrytstals were deposited onto woven fabrics and non-woven fabrics through chemical precipitation route. The samples were characterized by XRD, Raman spectroscopy, FE-SEM, and TEM. The presence of CuO on the surface of the fabrics was confirmed by EDAX. The CuO nanoparticles were found to have grown to a size of 50 nm with a monoclinic structure. The antibacterial activities were assessed for the coated CuO samples by the agar diffusion plate method followed by FE-SEM. To promote the slow release of Cu ions into the medium from the fabric matrix, the synthesized nanoparticles were immobilized in polyaniline polymer matrix before being coated onto the fabric samples, and the results are discussed.Graphical Abstract

  7. O3 Nanoparticles

    KAUST Repository

    Wang, Juan; Li, Yangyang; Deng, Lin; Wei, Nini; Weng, Yakui; Dong, Shuai; Qi, Dianpeng; Qiu, Jun; Chen, Xiaodong; Wu, Tao

    2016-01-01

    Ti2O3 nanoparticles with high performance of photothermal conversion are demonstrated for the first time. Benefiting from the nanosize and narrow-bandgap features, the Ti2O3 nanoparticles possess strong light absorption and nearly 100% internal

  8. Observation of Anomalous Properties associated with the Low Temperature Structural Distortion in β-FeSe and Related Superconductorsa

    Directory of Open Access Journals (Sweden)

    Wu M. K.

    2012-03-01

    Full Text Available The discovery of Superconductivity in the tetragonal phase FeSe provides a unique platform for the detailed investigation of the correlation between the physical properties and crystal structure to better understand the possible origin of superconductivity in the new iron-based superconductors. We have carried out a series of properties characterizations by measuring magnetic susceptibility, Raman, NMR and femtosecond spectroscopy on single crystals and epitaxial thin films of the FeSe and Te-doped Fe(SeTe samples. Our results show clearly the presence of anomalies in all the characterized properties at the temperature where a structural distortion from tetragonal to orthorhombic (or monoclinic appears for all superconducting samples, but not in the non-superconducting ones. This structural distortion was observed not accompanied by a magnetic ordering as commonly occurs in the parent compounds of FeAs-based superconductors. All the observations suggest that the low temperature structural distortion is essential for the occurrence of superconductivity in the FeSe and related compounds. Details of the experimental results will be presented and discussed.

  9. Growth kinetics of tetragonal and monoclinic ZrO{sub 2} crystallites in 3 mol% yttria partially stabilized ZrO{sub 2} (3Y-PSZ) precursor powder

    Energy Technology Data Exchange (ETDEWEB)

    Kuo, Chih-Wei [Department of Resources Engineering, National Cheng Kung University, 1 Ta-Hsueh Road, Tainan 70101, Taiwan (China); Lee, Kuen-Chan [Department of Fragrance and Cosmetic Science, Kaohsiung Medical University, 100 Shih-Chuan 1st Road, Kaohsiung 807, Taiwan (China); Yen, Feng-Lin, E-mail: flyen@kmu.edu.tw [Department of Fragrance and Cosmetic Science, Kaohsiung Medical University, 100 Shih-Chuan 1st Road, Kaohsiung 807, Taiwan (China); Shen, Yun-Hwei [Department of Resources Engineering, National Cheng Kung University, 1 Ta-Hsueh Road, Tainan 70101, Taiwan (China); Lee, Huey-Er [Department of Dentistry, Kaohsiung Medical University, 100 Shih-Chuan 1st Road, Kaohsiung 807, Taiwan (China); Department of Dentistry, Kaohsiung Medical University, Chung Ho Memorial Hospital, 100 Tzyou 1st Road, Kaohsiung 807, Taiwan (China); Wen, Shaw-Bing [General Education Center, Meiho Institute of Technology, 23 Pingguang Road, Neipu, Pingtung 91202, Taiwan (China); Wang, Moo-Chin, E-mail: mcwang@kmu.edu.tw [Department of Fragrance and Cosmetic Science, Kaohsiung Medical University, 100 Shih-Chuan 1st Road, Kaohsiung 807, Taiwan (China); Stack, Margaret Mary [Department of Mechanical and Aerospace Engineering, University of Strathclyde, 75 Montrose Street, Glasgow (United Kingdom)

    2014-04-01

    Highlights: • The crystalline structures were composed of tetragonal and monoclinic ZrO{sub 2}. • Growth kinetics of t-ZrO{sub 2} in the 3Y-PSZ precursor powder is described as: D{sub te}{sup 2}=(4.57±0.55)t{sup 0.12±0.02}exp(-((24.79±0.38)×10{sup 3})/(RT) ). • Growth kinetics of m-ZrO{sub 2} in the 3Y-PSZ precursor powder is described as: D{sub m}{sup 2}=(4.40±1.63)t{sup 0.17±0.08}exp(-((66.47±3.97)×10{sup 3})/(RT) ). - Abstract: The growth kinetics of tetragonal and monoclinic ZrO{sub 2} crystallites in 3 mol% yttria partially stabilized ZrO{sub 2} (3Y-PSZ) precursor powder has been investigated using X-ray diffraction (XRD), Brunauer–Emmett–Teller (BET) specific surface area analysis, transmission electron microscopy (TEM) and high resolution TEM (HRTEM). After calcination of the 3Y-PSZ precursor powder between 773 and 1073 K for 2 h, the crystalline structures were composed of tetragonal and monoclinic ZrO{sub 2} as the primary and secondary phases, respectively. When the 3Y-PSZ precursor powder was calcined at 773 K for 2 h, the BET specific surface area was 97.13 m{sup 2}/g, which is equivalent to a particle size of 10.30 nm. The crystallite sizes determined via XRD and BET agreed well, indicating that the powder was virtually non-agglomerated. The growth kinetics of tetragonal and monoclinic ZrO{sub 2} crystallite isothermal growth in the 3Y-PSZ precursor powder are described by: D{sub te}{sup 2}=(4.57±0.55)t{sup 0.12±0.02}exp(-((24.79±0.38)×10{sup 3})/(RT) ) and D{sub m}{sup 2}=(4.40±1.63)t{sup 0.17±0.08}exp(-((66.47±3.97)×10{sup 3})/(RT) ), respectively, for 773K≤T≤1073K. D{sub te} and D{sub m} denote the crystallite size of tetragonal and monoclinic ZrO{sub 2} at time t and temperature T, respectively.

  10. Optical sensing of triethylamine using CdSe aerogels

    International Nuclear Information System (INIS)

    Yao Qinghong; Brock, Stephanie L

    2010-01-01

    The photoluminescence (PL) response of highly porous CdSe aerogels to triethylamine (TEA) is investigated and compared to results from prior studies on single crystals and nanoparticle-polymer composites. As-prepared CdSe aerogels show significant and reversible enhancement of luminescence intensity upon exposure to TEA relative to the intensity in pure argon carrier gas. The enhancement in the PL response is dependent on the concentration and linear over the range of TEA concentration studied (4.7 x 10 3 -75 x 10 3 ppm). The sensing response of previously tested samples exhibits saturation behavior that is modeled using Langmuir adsorption isotherms, yielding adsorption equilibrium constants in the range 300-380 atm -1 . The response is sensitively affected by the surface characteristics of the aerogel; when the wet gels are treated with pyridine prior to aerogel formation, the response to TEA is diminished, and when as-prepared aerogels are heated in a vacuum, no subsequent response is observed. Deactivation is attributed to an increase in surface oxide (SeO 2 ) and decrease in surface Cd 2+ Lewis acid sites. Sensing runs of approximately one hour have little impact on the morphology or crystallinity of the aerogels, but do result in partial removal of residual thiolate ligands left over from the gelation process.

  11. Bio-fortification and isotopic labelling of Se metabolites in onions and carrots following foliar application of Se and 77Se

    DEFF Research Database (Denmark)

    Kápolna, Emese; Laursen, Kristian H.; Husted, Søren

    2012-01-01

    Se. The 77Se- labelled metabolites in onions were predominantly γ-glutamyl-77Se-selenomethyl-selenocysteine (γ-glu-Me77SeCys), 77Se-methylselenocysteine (Me77SeCys) and 77Se-selenomethionine (77SeMet). Furthermore, we report here for the first time the finding in carrots of the bioactive Me77SeCys...

  12. O3 Nanoparticles

    KAUST Repository

    Wang, Juan

    2016-11-16

    Ti2O3 nanoparticles with high performance of photothermal conversion are demonstrated for the first time. Benefiting from the nanosize and narrow-bandgap features, the Ti2O3 nanoparticles possess strong light absorption and nearly 100% internal solar–thermal conversion efficiency. Furthermore, Ti2O3 nanoparticle-based thin film shows potential use in seawater desalination and purification.

  13. Loading of atorvastatin and linezolid in β-cyclodextrin–conjugated cadmium selenide/silica nanoparticles: A spectroscopic study

    International Nuclear Information System (INIS)

    Antony, Eva Janet; Shibu, Abhishek; Ramasamy, Sivaraj; Paulraj, Mosae Selvakumar; Enoch, Israel V.M.V.

    2016-01-01

    The preparation of β–cyclodextrin–conjugated cadmium selenide–silica nanoparticles, the loading of two drugs viz., Atorvastatin and linezolid in the cyclodextrin cavity, and the fluorescence energy transfer between CdSe/SiO_2 nanoparticles and the drugs encapsulated in the cyclodextrin cavity are reported in this paper. IR spectroscopy, X-ray diffractometry, transmission electron microscopy, and particle size analysis by light–scattering experiment were used as the tools of characterizing the size and the crystal system of the nanoparticles. The nanoparticles fall under hexagonal system. The silica–shell containing CdSe nanoparticles were functionalized by reaction with aminoethylamino–β–cyclodextrin. Fluorescence spectra of the nanoparticles in their free and drug–encapsulated forms were studied. The FÖrster distances between the encapsulated drugs and the CdSe nanoparticles are below 3 nm. The change in the FÖrster resonance energy parameters under physiological conditions may aid in tracking the release of drugs from the cavity of the cyclodextrin. - Highlights: • CdSe/SiO_2 nanoparticles of crystallite size 15 nm are prepared. • β-Cyclodextrin is attached to the surface of the nanoparticles. • Atorvastatin and linezolid get encapsulated in the cyclodextrin cavity. • FRET efficiency between the nanoparticles and the loaded drugs are determined.

  14. Loading of atorvastatin and linezolid in β-cyclodextrin–conjugated cadmium selenide/silica nanoparticles: A spectroscopic study

    Energy Technology Data Exchange (ETDEWEB)

    Antony, Eva Janet; Shibu, Abhishek [Department of Nanosciences & Technology, Karunya University, Coimbatore 641114, Tamil Nadu (India); Ramasamy, Sivaraj; Paulraj, Mosae Selvakumar [Department of Chemistry, Karunya University, Coimbatore 641114, Tamil Nadu (India); Enoch, Israel V.M.V., E-mail: drisraelenoch@gmail.com [Department of Nanosciences & Technology, Karunya University, Coimbatore 641114, Tamil Nadu (India); Department of Chemistry, Karunya University, Coimbatore 641114, Tamil Nadu (India)

    2016-08-01

    The preparation of β–cyclodextrin–conjugated cadmium selenide–silica nanoparticles, the loading of two drugs viz., Atorvastatin and linezolid in the cyclodextrin cavity, and the fluorescence energy transfer between CdSe/SiO{sub 2} nanoparticles and the drugs encapsulated in the cyclodextrin cavity are reported in this paper. IR spectroscopy, X-ray diffractometry, transmission electron microscopy, and particle size analysis by light–scattering experiment were used as the tools of characterizing the size and the crystal system of the nanoparticles. The nanoparticles fall under hexagonal system. The silica–shell containing CdSe nanoparticles were functionalized by reaction with aminoethylamino–β–cyclodextrin. Fluorescence spectra of the nanoparticles in their free and drug–encapsulated forms were studied. The FÖrster distances between the encapsulated drugs and the CdSe nanoparticles are below 3 nm. The change in the FÖrster resonance energy parameters under physiological conditions may aid in tracking the release of drugs from the cavity of the cyclodextrin. - Highlights: • CdSe/SiO{sub 2} nanoparticles of crystallite size 15 nm are prepared. • β-Cyclodextrin is attached to the surface of the nanoparticles. • Atorvastatin and linezolid get encapsulated in the cyclodextrin cavity. • FRET efficiency between the nanoparticles and the loaded drugs are determined.

  15. Phase diagram of Se-CaIn4Se7 system

    International Nuclear Information System (INIS)

    Musaeva, R.I.; Aliev, I.I; Ismailova, F.I; Aliev, A.A

    2011-01-01

    Full text: The Se-CaIn 4 Se 7 system has been studied using methods of differential thermal analysis, X-ray diffraction, micro structural analysis, density measurements and its phase diagram has been constructed. It has been established that the section Se-CaIn 4 Se 7 is a quasibinary section of the ternary system Ca-In-Se. At room temperature, on the basis of CaIn 2 Se 4 and Se no solid solution has been found

  16. Variational approach to 68 Se

    International Nuclear Information System (INIS)

    Petrovici, A.; Schmid, K.W.; Faessler, A.; Baktash, C.; Shashi, P.

    1999-01-01

    . Furthermore, our results concerning the pair structure of the wave functions of the even-spin states in chains of even-even and odd-odd N = Z nuclei in the A 60 - 80 mass region revealed a clear interplay between isovector neutron-proton and like-nucleon pairing correlations. Nevertheless, detailed aspects of these properties are sensitive to the renormalization of the effective interaction in the pairing channels. Taking advantage of our microscopic investigations on the coexistence phenomena in this mass region, which have already past many experimental tests, we address the problem of the structure of the lowest few even-spin positive-parity states in 68 Se. Also we present details of the results obtained using a few slightly different prescriptions for the effective interaction in order to illustrate the above mentioned problems. The theoretical spectrum of 68 Se for even spin positive parity states is compared with the experimental results. (authors)

  17. Low temperature formation of CuIn{sub 1−x}Ga{sub x}Se{sub 2} solar cell absorbers by all printed multiple species nanoparticulate Se + Cu-In + Cu-Ga precursors

    Energy Technology Data Exchange (ETDEWEB)

    Möckel, Stefan A., E-mail: Stefan.A.Moeckel@FAU.de [Department of Materials Science, Chair of Materials for Electronics and Energy Technology, Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU), Martensstr, 7, 91058 Erlangen (Germany); Wernicke, Tobias; Arzig, Matthias; Köder, Philipp [Department of Materials Science, Chair of Materials for Electronics and Energy Technology, Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU), Martensstr, 7, 91058 Erlangen (Germany); Brandl, Marco [Chair for Crystallography and Structural Physics, Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU), Staudtstr. 3, 91058 Erlangen (Germany); Ahmad, Rameez; Distaso, Monica; Peukert, Wolfgang [Institute of Particle Technology, Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU), Cauerstr. 4, 91058 Erlangen (Germany); Hock, Rainer [Chair for Crystallography and Structural Physics, Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU), Staudtstr. 3, 91058 Erlangen (Germany); Wellmann, Peter J. [Department of Materials Science, Chair of Materials for Electronics and Energy Technology, Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU), Martensstr, 7, 91058 Erlangen (Germany)

    2015-05-01

    In this work an all nanoparticulate precursor for application in Cu(In{sub 1−x}Ga{sub x})Se{sub 2} solar cell absorbers is presented. Binary Cu-In nanoparticles, Cu-Ga powder and elemental Se nanoparticles were mixed in dispersion and deposited on Mo-coated substrates. Research was focused on Cu(In{sub 1−x}Ga{sub x})Se{sub 2} layer formation kinetics, phase composition characterised by differential scanning calorimetry and in-situ X-ray diffraction (XRD). Furthermore phase composition and morphology were studied by ex-situ XRD, Raman spectroscopy and scanning electron microscopy. The results revealed a fast consumption of the precursor and the formation of CuInSe{sub 2} below 340 °C. Binary secondary phases were not observed at any temperature. - Highlights: • All printable precursor for CIGSe • Formation of Ga droplets • Complete consumption below 340 °C.

  18. Monoclinic Paracetamol vs. Paracetamol-4,4′-Bipyridine Co-Crystal; What Is the Difference? A Charge Density Study

    Directory of Open Access Journals (Sweden)

    Jonathan J. Du

    2018-01-01

    Full Text Available Paracetamol (PCM has two well-documented polymorphic forms at room temperature; monoclinic Form I is more stable than the other orthorhombic Form II. Form II exhibits improved tabletting properties compared to Form I due to low shearing forces; however, difficulties in its manufacture have limited its use in industrial manufacture. Previous studies have found that the introduction of a co-former to form co-crystals would allow the PCM molecule to exist in a conformation similar to that of the orthorhombic form while being more stable at room temperature. Experimental charge density analysis of the paracetamol-4,4′-bipyridine (PCM-44BP co-crystal system, and its constituent molecules, has been carried out to examine the forces that drive the formation and stabilisation of the co-crystal, while allowing PCM to maintain a packing motif similar to that found in Form II. It is hoped studies on this well-known compound will help apply the knowledge gained to other drug molecules that are less successful. The PCM molecules in the co-crystal were found to exhibit similar packing motifs to that found in Form I, however, intercalation of the 44BP molecule between the PCM layers resulted in a shallower angle between molecular planes, which could result in the required lateral shear. Topological analysis identified more weak interactions in the co-crystal compared to the individual molecules, thus allowing for greater stability as evidenced by the lattice energies. Weak interactions in the PCM-44BP co-crystal were found to range in strength from 4.08–84.33 kJ mol−1, and this variety allowed the PCM-44BP planes to be held together, while a weak π–π interaction (15.14 kJ mol−1 allowed lateral shear to occur, thus mimicking the planes found in Form II PCM and offering the possibility of improved tabletting properties. A comparison of integrated atomic charges between partitions of the PCM molecules in the single and co-crystal found that the

  19. Effect of silicon doping in HFO{sub 2} nanoparticles from an atomic view

    Energy Technology Data Exchange (ETDEWEB)

    Sales, Tatiane S.N.; Carbonari, Artur W., E-mail: tatianenas@usp.br [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil)

    2017-07-01

    We have prepared the Hafnium Oxide (HfO{sub 2}) nanoparticles (NPs) doped with 5% at. of silicon (Si) using the sol-gel chemical method. Nuclear quadrupole interactions at Hf sites were investigated by perturbed γ–γ angular correlations (PAC) spectroscopy using {sup 181}Ta as probe nuclei. This method is based on the hyperfine interactions between the nuclear moments of the probe nuclei with extra-nuclear magnetic fields or electric field gradients (EFGs). In the case of quadrupolar electric interactions, experimental measurements give the quadrupole frequency ν{sub Q} with respective distribution (δ) as well the asymmetry parameter η of of the EFG. The hyperfine parameters were measured within the range from 200°C to 900°C. The structural and morphological characterization of the samples were carried out by X-ray diffraction and scanning electron microscopy (SEM) with electron back scattering diffraction (EBSD). PAC results show a major site fraction of probe nuclei, that was assigned to the monoclinic phase of HfO{sub 2}, with approximately 60% population, which increases when the temperature of heat treatment increases. The XRD results showed a single phase with the expected monoclinic structure for the as-prepared samples indicating that Si atoms are at substitutional Hf sites. (author)

  20. The Ag2Se-HgSe-GeSe2 system and crystal structures of the compounds

    International Nuclear Information System (INIS)

    Parasyuk, O.V.; Gulay, L.D.; Romanyuk, Ya.E.; Olekseyuk, I.D.; Piskach, L.V.

    2003-01-01

    The phase diagram of the quasi-ternary Ag 2 Se-HgSe-GeSe 2 system at 298 K was investigated using X-ray phase analysis and metallography. The formation of five intermediate quaternary phases β (Ag ∼7.12-∼6.32 Hg ∼0.44-∼0.82 GeSe 6 ), γ (Ag ∼6.08-∼4.00 Hg ∼0.96-∼2.00 GeSe 6 ), δ (Ag 3.4 Hg 2.3 GeSe 6 ), ε (Ag ∼2.24-∼2.00 Hg ∼2.88-∼3.00 GeSe 6 ) and ∼Ag 1.4 Hg 1.3 GeSe 6 was established. The crystal structure of the β-phase (for the Ag 6.504 Hg 0.912 GeSe 6 composition) was determined using X-ray single crystal diffraction. It crystallizes in a cubic structure (space group F4-bar 3m) with the lattice parameter a=1.09026(4) nm. The crystal structure of the δ-phase (Ag 3.4 Hg 2.3 GeSe 6 ) was determined using X-ray powder diffraction (space group F4-bar 3m, a=1.07767(8) nm). The crystal structure determination of the γ-phase (space group Pmn2 1 ) was performed for the compositions Ag 5.6 Hg 1.2 GeSe 6 , Ag 4.8 Hg 1.6 GeSe 6 and Ag 4 Hg 2 GeSe 6 using X-ray powder diffraction. The crystal structure of the LT-Hg 2 GeSe 4 compound (space group I4-bar , a=0.56786(2), c=1.12579(5) nm) was confirmed by powder diffraction also.

  1. High-performance broadband photodetector using solution-processible PbSe-TiO(2)-graphene hybrids.

    Science.gov (United States)

    Manga, Kiran Kumar; Wang, Junzhong; Lin, Ming; Zhang, Jie; Nesladek, Milos; Nalla, Venkatram; Ji, Wei; Loh, Kian Ping

    2012-04-03

    Highly sensitive, multicomponent broadband photodetector devices are made from PbSe/graphene/TiO(2). TiO(2) and PbSe nanoparticles act as light harvesting photoactive materials from the UV to IR regions of the electromagnetic spectrum, while the graphene acts as a charge collector for both photogenerated holes and electrons under an applied electric field. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. De-alloyed platinum nanoparticles

    Science.gov (United States)

    Strasser, Peter [Houston, TX; Koh, Shirlaine [Houston, TX; Mani, Prasanna [Houston, TX; Ratndeep, Srivastava [Houston, TX

    2011-08-09

    A method of producing de-alloyed nanoparticles. In an embodiment, the method comprises admixing metal precursors, freeze-drying, annealing, and de-alloying the nanoparticles in situ. Further, in an embodiment de-alloyed nanoparticle formed by the method, wherein the nanoparticle further comprises a core-shell arrangement. The nanoparticle is suitable for electrocatalytic processes and devices.

  3. Oxide or carbide nanoparticles synthesized by laser ablation of a bulk Hf target in liquids and their structural, optical, and dielectric properties

    Energy Technology Data Exchange (ETDEWEB)

    Semaltianos, N. G., E-mail: nsemaltianos@yahoo.com [Department of Physics, Aristotle University of Thessaloniki, Thessaloniki 54124 (Greece); Friedt, J.-M.; Blondeau-Patissier, V.; Combe, G. [Dépt. Temps-Fréquence, Femto-st, UMR CNRS 6174, Université de Franche-Comté, Besançon 25030 (France); Chassagnon, R. [Laboratoire Interdisciplinaire Carnot De Bourgogne, ICB UMR CNRS 6303, Université de Bourgogne Franche-Comté, Dijon 21078 (France); Moutarlier, V. [UTINAM, UMR CNRS 6213, Université de Franche-Comté, Besançon 25030 (France); Assoul, M.; Monteil, G. [Dépt. Mécanique Appliquée, Femto-st, UMR CNRS 6174, Université de Franche-Comté, Besançon 25030 (France)

    2016-05-28

    Laser ablation of a bulk Hf target in deionized (DI) water, ethanol, or toluene was carried out for the production of nanoparticles' colloidal solutions. Due to the interaction of the ablation plasma plume species with the species which are produced by the liquid decomposition at the plume-liquid interface, hafnia (HfO{sub 2}) nanoparticles are synthesized in DI water, hafnium carbide (HfC) nanoparticles in toluene, and a mixture of these in ethanol. The hafnia nanoparticles are in the monoclinic low temperature phase and in the tetragonal and fcc high temperature phases. Their size distribution follows log-normal function with a median diameter in the range of 4.3–5.3 nm. Nanoparticles synthesized in DI water have band gaps of 5.6 and 5.4 eV, in ethanol 5.72 and 5.65 eV (using low and high pulse energy), and in toluene 3 eV. The values for the relative permittivity in the range of 7.74–8.90 were measured for hafnia nanoparticles' thin films deposited on substrates by drop-casting (self-assembled layers) in parallel plate capacitor structures.

  4. Nanoparticle mediated micromotor motion

    Science.gov (United States)

    Liu, Mei; Liu, Limei; Gao, Wenlong; Su, Miaoda; Ge, Ya; Shi, Lili; Zhang, Hui; Dong, Bin; Li, Christopher Y.

    2015-03-01

    In this paper, we report the utilization of nanoparticles to mediate the motion of a polymer single crystal catalytic micromotor. Micromotors have been fabricated by directly self-assembling functional nanoparticles (platinum and iron oxide nanoparticles) onto one or both sides of two-dimensional polymer single crystals. We show that the moving velocity of these micromotors in fluids can be readily tuned by controlling the nanoparticles' surface wettability and catalytic activity. A 3 times velocity increase has been achieved for a hydrophobic micromotor as opposed to the hydrophilic ones. Furthermore, we demonstrate that the catalytic activity of platinum nanoparticles inside the micromotor can be enhanced by their synergetic interactions with iron oxide nanoparticles and an electric field. Both strategies lead to dramatically increased moving velocities, with the highest value reaching ~200 μm s-1. By decreasing the nanoparticles' surface wettability and increasing their catalytic activity, a maximum of a ~10-fold increase in the moving speed of the nanoparticle based micromotor can be achieved. Our results demonstrate the advantages of using nanoparticles in micromotor systems.In this paper, we report the utilization of nanoparticles to mediate the motion of a polymer single crystal catalytic micromotor. Micromotors have been fabricated by directly self-assembling functional nanoparticles (platinum and iron oxide nanoparticles) onto one or both sides of two-dimensional polymer single crystals. We show that the moving velocity of these micromotors in fluids can be readily tuned by controlling the nanoparticles' surface wettability and catalytic activity. A 3 times velocity increase has been achieved for a hydrophobic micromotor as opposed to the hydrophilic ones. Furthermore, we demonstrate that the catalytic activity of platinum nanoparticles inside the micromotor can be enhanced by their synergetic interactions with iron oxide nanoparticles and an electric

  5. Third-order nonlinear optical response of Ag-CdSe/PVA hybrid nanocomposite

    Energy Technology Data Exchange (ETDEWEB)

    Tripathi, S.K.; Kaur, Ramneek; Kaur, Jaspreet; Sharma, Mamta [Panjab University, Department of Physics, Center of Advanced Study in Physics, Chandigarh (India)

    2015-09-15

    Hybrid nanocomposites of II-VI semiconductor nanoparticles are gaining great interest in nonlinear optoelectronic devices. Present work includes the characterization of CdSe polymer nanocomposite prepared by chemical in situ technique. From X-ray diffraction, the hexagonal wurtzite structure of nanoparticles has been confirmed with spherical morphology from transmission electron microscopy. Ag-CdSe hybrid polymer nanocomposite has been prepared chemically at different Ag concentrations. The presence of Ag in hybrid nanocomposite has been confirmed with energy-dispersive X-ray spectroscopy. The effect of varying Ag concentration on the linear and nonlinear optical properties of the nanocomposites has been studied. In linear optical parameters, the linear absorption coefficient, refractive index, extinction coefficient and optical conductivity have been calculated. The third-order nonlinear optical properties have been observed with open- and closed-aperture Z-scan technique. The large nonlinear refractive index ∝10{sup -5} cm{sup 2}/W with self-focusing behaviour is due to the combined effect of quantum confinement and thermo-optical effects. The enhanced nonlinearity with increasing Ag content is due to the surface plasmon resonance, which enhances the local electric field near the nanoparticle surface. Thus, Ag-CdSe hybrid polymer nanocomposite has favourable nonlinear optical properties for various optoelectronic applications. (orig.)

  6. Third-order nonlinear optical response of Ag-CdSe/PVA hybrid nanocomposite

    International Nuclear Information System (INIS)

    Tripathi, S.K.; Kaur, Ramneek; Kaur, Jaspreet; Sharma, Mamta

    2015-01-01

    Hybrid nanocomposites of II-VI semiconductor nanoparticles are gaining great interest in nonlinear optoelectronic devices. Present work includes the characterization of CdSe polymer nanocomposite prepared by chemical in situ technique. From X-ray diffraction, the hexagonal wurtzite structure of nanoparticles has been confirmed with spherical morphology from transmission electron microscopy. Ag-CdSe hybrid polymer nanocomposite has been prepared chemically at different Ag concentrations. The presence of Ag in hybrid nanocomposite has been confirmed with energy-dispersive X-ray spectroscopy. The effect of varying Ag concentration on the linear and nonlinear optical properties of the nanocomposites has been studied. In linear optical parameters, the linear absorption coefficient, refractive index, extinction coefficient and optical conductivity have been calculated. The third-order nonlinear optical properties have been observed with open- and closed-aperture Z-scan technique. The large nonlinear refractive index ∝10 -5 cm 2 /W with self-focusing behaviour is due to the combined effect of quantum confinement and thermo-optical effects. The enhanced nonlinearity with increasing Ag content is due to the surface plasmon resonance, which enhances the local electric field near the nanoparticle surface. Thus, Ag-CdSe hybrid polymer nanocomposite has favourable nonlinear optical properties for various optoelectronic applications. (orig.)

  7. A nanoparticle in plasma

    International Nuclear Information System (INIS)

    Martynenko, Yu. V.; Nagel', M. Yu.; Orlov, M. A.

    2009-01-01

    Charge and energy fluxes onto a nanoparticle under conditions typical of laboratory plasmas are investigated theoretically. Here, by a nanoparticle is meant a grain the size of which is much smaller than both the electron Larmor radius and Debye length and the thermionic emission from which is not limited by the space charge. Under conditions at which thermionic emission plays an important role, the electric potential and temperature T p of a nanoparticle are determined by solving a self-consistent set of equations describing the balance of energy and charge fluxes onto the nanoparticle. It is shown that, when the degree of plasma ionization exceeds a critical level, the potential of the nanoparticle and the energy flux onto it increase with increasing nanoparticle temperature, so that, starting from a certain temperature, the nanoparticle potential becomes positive. The critical degree of ionization starting from which the potential of a nanoparticle is always positive is determined as a function of the plasma density and electron temperature. The nanoparticle temperature T p corresponding to the equilibrium state of a positively charged nanoparticle is found as a function of the electron density for different electron temperatures.

  8. Two new octahedral/pyramidal frameworks containing both cation channels and lone-pair channels: syntheses and structures of Ba2MnIIMn2III(SeO3)6 and PbFe2(SeO3)4

    International Nuclear Information System (INIS)

    Johnston, Magnus G.; Harrison, William T.A.

    2004-01-01

    The hydrothermal syntheses, single crystal structures, and some properties of Ba 2 Mn II Mn 2 III (SeO 3 ) 6 and PbFe 2 (SeO 3 ) 4 are reported. These related phases contain three-dimensional frameworks of vertex (FeO 6 ) and vertex/edge linked (MnO 6 ) octahedra and SeO 3 pyramids. In each case, the MO 6 /SeO 3 framework encloses two types of 8 ring channels, one of which encapsulates the extra-framework cations and one of which provides space for the Se IV lone pairs. Crystal data: Ba 2 Mn 3 (SeO 3 ) 6 , M r =1201.22, monoclinic, P2 1 /c (No. 14), a=5.4717 (3)A, b=9.0636 (4)A, c=17.6586 (9)A, β=94.519 (1) o , V=873.03 (8)A 3 , Z=2, R(F)=0.031, wR(F 2 )=0.070; PbFe 2 (SeO 3 ) 4 , M r =826.73, triclinic, P1-bar (No. 2), a=5.2318 (5)A, b=6.7925 (6)A, c=7.6445 (7)A, α=94.300 (2) o , β=90.613 (2) o , γ=95.224 (2) o , V=269.73 (4)A 3 , Z=1, R(F)=0.051, wR(F 2 )=0.131

  9. Preparation and electrical characterization of the compound CuAgGeSe{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Villarreal, M A; Chalbaud, L M de; Fernandez, B J; Velasquez-Velasquez, A; Pirela, M, E-mail: mavu@ula.v, E-mail: clio@ula.v [Laboratorio de Temperaturas Bajas, Centro de Estudios en Semiconductores, Departamento de Fisica, Universidad de Los Andes, Apartado de Correos No 1, La Hechicera, Merida 5251 (Venezuela, Bolivarian Republic of)

    2009-05-01

    This work reports the synthesis and electrical characterization of the compound CuAgGeSe{sub 3}. This material was synthesized by direct melting of the constituent elements, in their stoiochiometric ratio inside an evacuated quartz ampoule. The chemical analysis (EDX) confirmed the 1:1:1:3 stoichiometric ratios for the compound. The differential thermal analysis showed the existence of a principal phase that melts at 558 deg. C and a second phase at 636{sup 0}C. The X-ray powder diffraction analysis indicated that the compound crystallizes in the monoclinic system, space group Cc, with unit cell parameters: a = 6.776(0) A, b = 11.901(5) A, c = 6.772(0) and beta = 108.2(0){sup 0}. The study of the electrical properties was realized in the temperature range from 80 to 300 K and under a magnetic field of 14 kG. Employing the Mott transition model, we were able to obtain the temperature dependence of the resistivity and we estimated that the activation energy is 25.3 meV in the low temperatures region. The mobility temperature dependence is analyzed by taking into account the scattering of charge carriers by acoustic phonons, polar optic phonons and thermally activated hopping. From the analysis, the activation energy is estimated to be around 38 meV and the characteristic temperature of the phonons is estimated to be around 400 K.

  10. Structural, electronic and optical properties of monoclinic Na{sub 2}Ti{sub 3}O{sub 7} from density functional theory calculations: A comparison with XRD and optical absorption measurements

    Energy Technology Data Exchange (ETDEWEB)

    Araújo-Filho, Adailton A. [Departamento de Física, Universidade Federal do Ceará, Caixa Postal 6030, 60455-760 Fortaleza, CE (Brazil); Silva, Fábio L.R.; Righi, Ariete [Departamento de Física, Universidade Federal de Minas Gerais, Belo Horizonte, MG 31270-901 (Brazil); Silva, Mauricélio B. da; Silva, Bruno P. [Departamento de Física, Universidade Federal do Ceará, Caixa Postal 6030, 60455-760 Fortaleza, CE (Brazil); Caetano, Ewerton W.S., E-mail: ewcaetano@gmail.com [Instituto Federal de Educação, Ciência e Tecnologia do Ceará, 60040-531 Fortaleza, CE (Brazil); Freire, Valder N. [Departamento de Física, Universidade Federal do Ceará, Caixa Postal 6030, 60455-760 Fortaleza, CE (Brazil)

    2017-06-15

    Powder samples of bulk monoclinic sodium trititanate Na{sub 2}Ti{sub 3}O{sub 7} were prepared carefully by solid state reaction, and its monoclinic P2{sub 1}/m crystal structure and morphology were characterized by X-ray powder diffraction (XRD) and scanning electron microscopy (SEM), respectively. Moreover, the sodium trititanate main energy band gap was estimated as E{sub g}=3.51±0.01 eV employing UV–Vis spectroscopy, which is smaller than the measured 3.70 eV energy gap published previously by other authors. Aiming to achieve a better understanding of the experimental data, density functional theory (DFT) computations were performed within the local density and generalized gradient approximations (LDA and GGA, respectively) taking into account dispersion effects through the scheme of Tkatchenko and Scheffler (GGA+TS). Optimal lattice parameters, with deviations relative to measurements Δa=−0.06 Å, Δb=0.02 Å, and Δc=−0.09 Å, were obtained at the GGA level, which was then used to simulate the sodium trititanate electronic and optical properties. Indirect band transitions have led to a theoretical gap energy value of about 3.25 eV. Our results, however, differ from pioneer DFT results with respect to the specific Brillouin zone vectors for which the indirect transition with smallest energy value occurs. Effective masses for electrons and holes were also estimated along a set of directions in reciprocal space. Lastly, our calculations revealed a relatively large degree of optical isotropy for the Na{sub 2}Ti{sub 3}O{sub 7} optical absorption and complex dielectric function. - Graphical abstract: Monoclinic sodium trititanate Na2Ti3O7 was characterized by experiment and dispersion-corrected DFT calculations. An indirect gap of 3.5 eV is predicted, with heavy electrons and anisotropic holes ruling its conductivity. - Highlights: • Monoclinic Na2Ti3O7 was characterized by experiment (XRD, SEM, UV–Vis spectroscopy). • DFT GGA+TS optimized geometry and

  11. Monoclinic form of (cyanato-κN{2,2′-[ethane-1,2-diylbis(nitrilomethylidyne]diphenolato-κ4O,N,N′,O′}manganese(III

    Directory of Open Access Journals (Sweden)

    Daopeng Zhang

    2010-12-01

    Full Text Available The title compound, [Mn(C16H14N2O2(NCO], is a monoclinic polymorph of the previously published orthorhombic form [Lu et al. (2006. Inorg. Chem. 45, 3538–3548]. The MnIII ion is chelated by a tetradentate Schiff base ligand and coordinated by the N atom of a cyanate ligand in a distorted square-pyramidal arrangement. In the crystal, there are short intermolecular Mn...Ophenolate distances of 2.752 (3 Å between pairs of inversion-related molecules.

  12. Supercritical temperature synthesis of fluorine-doped VO2(M) nanoparticle with improved thermochromic property

    Science.gov (United States)

    Riapanitra, Anung; Asakura, Yusuke; Cao, Wenbin; Noda, Yasuto; Yin, Shu

    2018-06-01

    Fluorine-doped VO2(M) nanoparticles have been successfully synthesized using the hydrothermal method at a supercritical temperature of 490 °C. The pristine VO2(M) has the critical phase transformation temperature of 64 °C. The morphology and homogeneity of the monoclinic structure VO2(M) were adopted by the fluorine-doped system. The obtained particle size of the samples is smaller at the higher concentration of anion doping. The best reduction of critical temperature was achieved by fluorine doping of 0.13% up to 48 °C. The thin films of the fluorine-doped VO2(M) showed pronounced thermochromic property and therefore are suitable for smart window applications.

  13. Charge separation in contact systems with CdSe quantum dot layers

    International Nuclear Information System (INIS)

    Zillner, Elisabeth Franziska

    2013-01-01

    (recombination). The values of QD-ITO distance and trap density, determined with the simulation were consistent with transmission electron microscopy and photoluminescence measurements. The separation and diffusion of charge carriers was limited due to trapping of charge carriers. Smaller interparticle distances led to faster decays in CdSe QD monolayers. However the increase of traps, which resulted in a slower decay dominated and led to longer decay times of SPV transients of modified CdSe QD layers. By deposition of CdSe QDs on CdS a heterojunction was created. The CdS layer served as acceptor for electrons excited in CdSe QDs. Furthermore a CdSe QD/CdTe nanoparticle heterojunction was realized by successive electrophoretic deposition. CdSe QDs acted as electron acceptors, whereas CdTe nanoparticles acted as electron donors. Charge separation was dominated by the CdSe QD/CdTe nanoparticle interphase, as inverted layer stacking of CdSe QDs and CdTe nanoparticles gave an inverted SPV signal.

  14. Charge separation in contact systems with CdSe quantum dot layers

    Energy Technology Data Exchange (ETDEWEB)

    Zillner, Elisabeth Franziska

    2013-03-06

    (recombination). The values of QD-ITO distance and trap density, determined with the simulation were consistent with transmission electron microscopy and photoluminescence measurements. The separation and diffusion of charge carriers was limited due to trapping of charge carriers. Smaller interparticle distances led to faster decays in CdSe QD monolayers. However the increase of traps, which resulted in a slower decay dominated and led to longer decay times of SPV transients of modified CdSe QD layers. By deposition of CdSe QDs on CdS a heterojunction was created. The CdS layer served as acceptor for electrons excited in CdSe QDs. Furthermore a CdSe QD/CdTe nanoparticle heterojunction was realized by successive electrophoretic deposition. CdSe QDs acted as electron acceptors, whereas CdTe nanoparticles acted as electron donors. Charge separation was dominated by the CdSe QD/CdTe nanoparticle interphase, as inverted layer stacking of CdSe QDs and CdTe nanoparticles gave an inverted SPV signal.

  15. Multifunctional nanoparticles: Analytical prospects

    International Nuclear Information System (INIS)

    Dios, Alejandro Simon de; Diaz-Garcia, Marta Elena

    2010-01-01

    Multifunctional nanoparticles are among the most exciting nanomaterials with promising applications in analytical chemistry. These applications include (bio)sensing, (bio)assays, catalysis and separations. Although most of these applications are based on the magnetic, optical and electrochemical properties of multifunctional nanoparticles, other aspects such as the synergistic effect of the functional groups and the amplification effect associated with the nanoscale dimension have also been observed. Considering not only the nature of the raw material but also the shape, there is a huge variety of nanoparticles. In this review only magnetic, quantum dots, gold nanoparticles, carbon and inorganic nanotubes as well as silica, titania and gadolinium oxide nanoparticles are addressed. This review presents a narrative summary on the use of multifuncional nanoparticles for analytical applications, along with a discussion on some critical challenges existing in the field and possible solutions that have been or are being developed to overcome these challenges.

  16. Nanoparticles and direct immunosuppression

    Science.gov (United States)

    Ngobili, Terrika A

    2016-01-01

    Targeting the immune system with nanomaterials is an intensely active area of research. Specifically, the capability to induce immunosuppression is a promising complement for drug delivery and regenerative medicine therapies. Many novel strategies for immunosuppression rely on nanoparticles as delivery vehicles for small-molecule immunosuppressive compounds. As a consequence, efforts in understanding the mechanisms in which nanoparticles directly interact with the immune system have been overshadowed. The immunological activity of nanoparticles is dependent on the physiochemical properties of the nanoparticles and its subsequent cellular internalization. As the underlying factors for these reactions are elucidated, more nanoparticles may be engineered and evaluated for inducing immunosuppression and complementing immunosuppressive drugs. This review will briefly summarize the state-of-the-art and developments in understanding how nanoparticles induce immunosuppressive responses, compare the inherent properties of nanomaterials which induce these immunological reactions, and comment on the potential for using nanomaterials to modulate and control the immune system. PMID:27229901

  17. Fluctuation kinetics of fluorescence hopping quenching in the Nd3+:Y2O3 spherical nanoparticles

    International Nuclear Information System (INIS)

    Orlovskii, Yu.V.; Popov, A.V.; Platonov, V.V.; Fedorenko, S.G.; Sildos, I.; Osipov, V.V.

    2013-01-01

    We study the peculiarities of energy transfer kinetics from the 4 F 3/2 laser level in the Nd 3+ doped Y 2 O 3 spherical nanoparticles of monoclinic phase synthesized by laser ablation of solid targets with subsequent recondensation in flow of air at atmospheric pressure comparing to the similar bulk crystal. We show that the fluorescence quenching in the nanoparticles is determined by two processes depending on Nd 3+ concentration and the degree of dehydration. At concentrations less than 1% the fluorescence quenching is mainly determined by direct (static) quenching by vibrations of OH − molecular groups associated with oxygen vacancies. At concentrations greater than 1 at % quenching is due to energy migration over neodymium ions, followed by the Nd 3+ –OH − quenching. In the latter case, the first time in a solid-state impurity laser medium we observe non-stationary kinetics on the entire length of a time-dependent luminescence quenching, starting from static decay and ending with fluctuation kinetics of fluorescence hopping quenching. -- Highlights: ► We prepare monoclinic Nd 3+ :Y 2 O 3 spherical NPs of mean D=12 nm by laser ablation of solid targets. ► We detect the fluorescence quenching of Nd 3+ the 4 F 3/2 level by vibrations of OH – molecular groups. ► We find that at 0.1% of Nd 3+ the process of static quenching by vibrations of OH – dominates. ► We find that Nd 3+ –Nd 3+ energy migration accelerates the Nd 3+ –OH − quenching at 1% of Nd 3+ . ► We detect non-stationary quenching kinetics ending with fluctuation stage of hopping quenching

  18. Electronic structure, charge transfer, and intrinsic luminescence of gadolinium oxide nanoparticles: Experiment and theory

    Science.gov (United States)

    Zatsepin, D. A.; Boukhvalov, D. W.; Zatsepin, A. F.; Kuznetsova, Yu. A.; Mashkovtsev, M. A.; Rychkov, V. N.; Shur, V. Ya.; Esin, A. A.; Kurmaev, E. Z.

    2018-04-01

    The cubic (c) and monoclinic (m) polymorphs of Gd2O3 were studied using the combined analysis of several materials science techniques - X-ray diffraction (XRD), scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), and photoluminescence (PL) spectroscopy. Density functional theory (DFT) based calculations for the samples under study were performed as well. The cubic phase of gadolinium oxide (c-Gd2O3) synthesized using a precipitation method exhibits spheroidal-like nanoclusters with well-defined edges assembled from primary nanoparticles with an average size of 50 nm, whereas the monoclinic phase of gadolinium oxide (m-Gd2O3) deposited using explosive pyrolysis has a denser structure compared with natural gadolinia. This phase also has a structure composed of three-dimensional complex agglomerates without clear-edged boundaries that are ∼21 nm in size plus a cubic phase admixture of only 2 at.% composed of primary edge-boundary nanoparticles ∼15 nm in size. These atomic features appear in the electronic structure as different defects ([Gd…Osbnd OH] and [Gd…Osbnd O]) and have dissimilar contributions to the charge-transfer processes among the appropriate electronic states with ambiguous contributions in the Gd 5р - O 2s core-like levels in the valence band structures. The origin of [Gd…Osbnd OH] defects found by XPS was well-supported by PL analysis. The electronic and atomic structures of the synthesized gadolinias calculated using DFT were compared and discussed on the basis of the well-known joint OKT-van der Laan model, and good agreement was established.

  19. [How safe are nanoparticles?].

    Science.gov (United States)

    Lademann, J; Meinke, M; Sterry, W; Patzelt, A

    2009-04-01

    Nanoparticles are experiencing an increasing application in dermatology and cosmetics. In both application areas, the requirements of nanoparticles are in most cases widely different. As a component of sunscreens, the nanoparticles are supposed to remain on the skin surface or in the upper most layers of the stratum corneum to protect the skin against UV-radiation of the sun. Whereas, on the other hand, when particulate substances are used as carrier systems for drugs, they have to cross the skin barrier to reach the target sites within the living tissue. We discuss the perspectives and risks of the topical application of nanoparticles.

  20. Low-temperature molten salt synthesis and characterization of CoWO4 nano-particles

    International Nuclear Information System (INIS)

    Song Zuwei; Ma Junfeng; Sun Huyuan; Sun Yong; Fang Jingrui; Liu Zhengsen; Gao Chang; Liu Ye; Zhao Jingang

    2009-01-01

    CoWO 4 nano-particles were successfully synthesized at a low temperature of 270 deg. C by a molten salt method, and effects of such processing parameters as holding time and salt quantity on the crystallization and development of CoWO 4 crystallites were initially studied. The products were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), and photoluminescent spectra techniques (PL), respectively. Experimental results showed that the well-crystallized CoWO 4 nano-particles with ca. 45 nm in diameter could be obtained at 270 deg. C for a holding time of 8 h with 6:1 mass ratio of the salt to CoWO 4 precursor, and XRD analysis evidenced that the as-prepared sample was a pure monoclinic phase of CoWO 4 with wolframite structure. Their PL spectra revealed that the CoWO 4 nano-particles displayed a very strong PL peak at 453 nm with the excitation wavelength of 230 nm, and PL properties of CoWO 4 crystallites relied on their crystalline state, especially on their particle size.

  1. Room temperature ferromagnetism in Fe-doped CuO nanoparticles.

    Science.gov (United States)

    Layek, Samar; Verma, H C

    2013-03-01

    The pure and Fe-doped CuO nanoparticles of the series Cu(1-x)Fe(x)O (x = 0.00, 0.02, 0.04, 0.06 and 0.08) were successfully prepared by a simple low temperature sol-gel method using metal nitrates and citric acid. Rietveld refinement of the X-ray diffraction data showed that all the samples were single phase crystallized in monoclinic structure of space group C2/c with average crystallite size of about 25 nm and unit cell volume decreases with increasing iron doping concentration. TEM micrograph showed nearly spherical shaped agglomerated particles of 4% Fe-doped CuO with average diameter 26 nm. Pure CuO showed weak ferromagnetic behavior at room temperature with coercive field of 67 Oe. The ferromagnetic properties were greatly enhanced with Fe-doping in the CuO matrix. All the doped samples showed ferromagnetism at room temperature with a noticeable coercive field. Saturation magnetization increases with increasing Fe-doping, becomes highest for 4% doping then decreases for further doping which confirms that the ferromagnetism in these nanoparticles are intrinsic and are not resulting from any impurity phases. The ZFC and FC branches of the temperature dependent magnetization (measured in the range of 10-350 K by SQUID magnetometer) look like typical ferromagnetic nanoparticles and indicates that the ferromagnetic Curie temperature is above 350 K.

  2. Development of a nano structured system based on zirconia and Co nanoparticles for thermoluminescent applications: sensor of gamma and UV radiation

    International Nuclear Information System (INIS)

    Villa S, G.

    2014-01-01

    Powders of zirconium IV oxide as well as systems composed of zirconia nano crystals and cobalt nanoparticles (ZrO 2 :NPCo) with dimensions of nanometers were synthesized by the sol-gel method. Zirconia and ZrO 2 :NPCo systems have crystalline structure tetragonal or monoclinic is the heat treatment was to 500 and 1000 degrees Celsius respectively. The characterization of the synthesized materials consisted of a morphological and structural analysis, the information obtained was correlated to its thermoluminescent response induced by gamma and ultraviolet radiation. Thermoluminescent behavior was analyzed on different concentrations of cobalt nanoparticles incorporated during the synthesis process of the zirconium oxide. The monoclinic structure has the highest sensitivity thermoluminescent induced by ultraviolet and gamma radiation. Moreover, the thermoluminescence intensity decreased considerably in ZrO 2 :NPCo systems and was induced the growth of a glow peak at 280 degrees Celsius. In most of the materials analyzed the relation of the thermoluminescence intensity depending the time of irradiation with ultraviolet light showed the saturation of the traps in the material after 60 s of irradiation. Using gamma radiation is observed a behavior linear in the applied dose range between 0.25 Gy and 450 Gy. The growth of a glow peak at 280 degrees Celsius is the most important change in the thermoluminescence characteristics of zirconia. The ZrO 2 :NPCo systems can be used in the development of thermoluminescent dosimeters for detecting gamma radiation fields mainly. (Author)

  3. Biomimetic synthesis of selenium nanospheres by bacterial strain JS-11 and its role as a biosensor for nanotoxicity assessment: a novel se-bioassay.

    Science.gov (United States)

    Dwivedi, Sourabh; Alkhedhairy, Abdulaziz A; Ahamed, Maqusood; Musarrat, Javed

    2013-01-01

    Selenium nanoparticles (Se-NPs) were synthesized by green technology using the bacterial isolate Pseudomonas aeruginosa strain JS-11. The bacteria exhibited significant tolerance to selenite (SeO3(2-)) up to 100 mM concentration with an EC50 value of 140 mM. The spent medium (culture supernatant) contains the potential of reducing soluble and colorless SeO3(2-) to insoluble red elemental selenium (Se(0)) at 37°C. Characterization of red Se° product by use of UV-Vis spectroscopy, X-ray diffraction (XRD), atomic force microscopy (AFM) and transmission electron microscopy (TEM) with energy dispersive X-ray spectrum (EDX) analysis revealed the presence of stable, predominantly monodispersed and spherical selenium nanoparticles (Se-NPs) of an average size of 21 nm. Most likely, the metabolite phenazine-1-carboxylic acid (PCA) released by strain JS-11 in culture supernatant along with the known redox agents like NADH and NADH dependent reductases are responsible for biomimetic reduction of SeO3(2-) to Se° nanospheres. Based on the bioreduction of a colorless solution of SeO3(2-) to elemental red Se(0), a high throughput colorimetric bioassay (Se-Assay) was developed for parallel detection and quantification of nanoparticles (NPs) cytotoxicity in a 96 well format. Thus, it has been concluded that the reducing power of the culture supernatant of strain JS-11 could be effectively exploited for developing a simple and environmental friendly method of Se-NPs synthesis. The results elucidated that the red colored Se° nanospheres may serve as a biosensor for nanotoxicity assessment, contemplating the inhibition of SeO3(2-) bioreduction process in NPs treated bacterial cell culture supernatant, as a toxicity end point.

  4. Evidence for monoclinic distortion in the ground state phase of underdoped La_1_._9_5Sr_0_._0_5CuO_4: A single crystal neutron diffraction study

    International Nuclear Information System (INIS)

    Singh, Anar; Schefer, Jürg; Frontzek, Matthias; Sura, Ravi; Conder, Kazimierz; Sibille, Romain F.; Ceretti, Monica; Paulus, Werner

    2016-01-01

    The existing controversy about the symmetry of the crystal structure of the ground state of the critical doped La_1_._9_5Sr_0_._0_5CuO_4 has been resolved by analyzing the single crystal neutron diffraction data collected between 5 and 730 K. We observed small but significant intensities for “forbidden” reflections given by extinction rules of the orthorhombic Bmab space group at low temperatures. A careful investigation of neutron diffraction data reveals that the crystal structure of La_1_._9_5Sr_0_._0_5CuO_4 at 5 K is monoclinic with B2/m (2/m 1 1) space group. The monoclinic structure emerges from the orthorhombic structure in a continuous way; however, the structure is stable below ∼120 K which agrees with other observed phenomena. Our results on symmetry changes are crucial for the interpretation of physical properties also in other high temperature superconductors with similar structures.

  5. A comparative structural and electrochemical study of monoclinic Li3V2(PO4)3/C and rhombohedral Li2.5Na0.5V(2−2x/3)Nix(PO4)3/C

    International Nuclear Information System (INIS)

    Wang, Wenhui; Chen, Zhenyu; Zhang, Jiaolong; Dai, Changsong; Li, Jiajie; Ji, Dalong

    2013-01-01

    In order to synthesize pure derivative of rhombohedral Li 3 V 2 (PO 4 ) 3 (LVP), lithium-ion batteries materials Li 2.5 Na 0.5 V (2−2x/3) Ni x (PO 4 ) 3 /C (x = 0.03, 0.06, 0.09) and its control, monoclinic Li 3 V 2 (PO 4 ) 3 /C (LVP/C), were prepared by sol–gel method. The samples were investigated by X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD) spectroscopy, scanning electron microscopy (SEM), Raman spectroscopy, and electrochemical methods. The XRD patterns of Li 2.5 Na 0.5 V (2−2x/3) Ni x (PO 4 ) 3 /C are in good agreement with that of rhombohedral LVP, which indicates that the Na + –Ni 2+ composite doping can change the structure of monoclinic LVP. All the composite doping samples displayed a single flat plateau at 3.7 V in the charge/discharge voltage profile, which is caused by transformation of multi-phase mechanism to single-phase mechanism. For Li 2.5 Na 0.5 V 1.98 Ni 0.03 (PO 4 ) 3 /C, a specific discharge capacity of 108 mAh g −1 was achieved at a 0.5 C charge rate and a 1 C discharge rate, and a 99.0% retention rate of the initial capacity was obtained after 50 cycles

  6. Grain size dependent phase stabilities and presence of a monoclinic (Pm) phase in the MPB region of (1-x)Bi(Mg_1_/_2Ti_1_/_2)O_3_-_xPbTiO_3

    International Nuclear Information System (INIS)

    Upadhyay, A.; Singh, A.K.

    2016-01-01

    The results of the room temperature structural studies on (1-x)Bi(Mg_1_/_2Ti_1_/_2)O_3_-_xPbTiO_3 ceramics using Rietveld analysis of the powder X-ray diffraction data in the composition range 0.28≤x≤0.45 are presented. The morphotropic phase boundary region exhibits coexistence of monoclinic (space group Pm) and tetragonal (space group P4mm) phases in the composition range 0.33≤x≤0.40. The structure is nearly single phase monoclinic (space group Pm) in the composition range 0.28≤x≤0.32. The structure for the compositions with x≥0.45 is found to be predominantly tetragonal with space group P4mm. Rietveld refinement of the structure rules out the coexistence of rhombohedral and tetragonal phases in the morphotropic phase boundary region reported by earlier authors. The Rietveld structure analysis for the sample x=0.35 calcined at various temperatures reveals that phase fraction of the coexisting phases in the morphotropic phase boundary region varies with grain size. The structural parameters of the two coexisting phases also change slightly with changing grain size. (author)

  7. Green synthesis of copper oxide nanoparticles using gum karaya as a biotemplate and their antibacterial application

    Directory of Open Access Journals (Sweden)

    Thekkae Padil VV

    2013-02-01

    Full Text Available Vinod Vellora Thekkae Padil, Miroslav ČerníkLaboratory of Chemical Remediation Processes, Institute for Nanomaterials, Advanced Technology and Innovation, Technical University of Liberec, Studentská 1402/2, Liberec, Czech RepublicBackground: Copper oxide (CuO nanoparticles have attracted huge attention due to catalytic, electric, optical, photonic, textile, nanofluid, and antibacterial activity depending on the size, shape, and neighboring medium. In the present paper, we synthesized CuO nanoparticles using gum karaya, a natural nontoxic hydrocolloid, by green technology and explored its potential antibacterial application.Methods: The CuO nanoparticles were synthesized by a colloid-thermal synthesis process. The mixture contained various concentrations of CuCl2 · 2H2O (1 mM, 2 mM, and 3 mM and gum karaya (10 mg/mL and was kept at 75°C at 250 rpm for 1 hour in an orbital shaker. The synthesized CuO was purified and dried to obtain different sizes of the CuO nanoparticles. The well diffusion method was used to study the antibacterial activity of the synthesized CuO nanoparticles. The zone of inhibition, minimum inhibitory concentration, and minimum bactericidal concentration were determined by the broth microdilution method recommended by the Clinical and Laboratory Standards Institute.Results: Scanning electron microscopy analysis showed CuO nanoparticles evenly distributed on the surface of the gum matrix. X-ray diffraction of the synthesized nanoparticles indicates the formation of single-phase CuO with a monoclinic structure. The Fourier transform infrared spectroscopy peak at 525 cm−1 should be a stretching of CuO, which matches up to the B2u mode. The peaks at 525 cm−1 and 580 cm−1 indicated the formation of CuO nanostructure. Transmission electron microscope analyses revealed CuO nanoparticles of 4.8 ± 1.6 nm, 5.5 ± 2.5 nm, and 7.8 ± 2.3 nm sizes were synthesized with various concentrations of CuCl2 · 2H2O (1 mM, 2 mM, and

  8. Encapsulation of gold nanoparticles into self-assembling protein nanoparticles

    OpenAIRE

    Yang Yongkun; Burkhard Peter

    2012-01-01

    Abstract Background Gold nanoparticles are useful tools for biological applications due to their attractive physical and chemical properties. Their applications can be further expanded when they are functionalized with biological molecules. The biological molecules not only provide the interfaces for interactions between nanoparticles and biological environment, but also contribute their biological functions to the nanoparticles. Therefore, we used self-assembling protein nanoparticles (SAPNs...

  9. One-step synthesis of PbSe-ZnSe composite thin film

    Directory of Open Access Journals (Sweden)

    Abe Seishi

    2011-01-01

    Full Text Available Abstract This study investigates the preparation of PbSe-ZnSe composite thin films by simultaneous hot-wall deposition (HWD from multiple resources. The XRD result reveals that the solubility limit of Pb in ZnSe is quite narrow, less than 1 mol%, with obvious phase-separation in the composite thin films. A nanoscale elemental mapping of the film containing 5 mol% PbSe indicates that isolated PbSe nanocrystals are dispersed in the ZnSe matrix. The optical absorption edge of the composite thin films shifts toward the low-photon-energy region as the PbSe content increases. The use of a phase-separating PbSe-ZnSe system and HWD techniques enables simple production of the composite package.

  10. Cs2UPd3Se6

    Directory of Open Access Journals (Sweden)

    George N. Oh

    2011-02-01

    Full Text Available Dicaesium uranium(IV tripalladium(II hexaselenide, Cs2UPd3Se6, crystallizes in the space group Fmmm in the Ba2NaCu3O6 structure type. The asymmetric unit comprises the following atoms with site symmetries as shown: U1 (mm2, Cs1 (222, Cs2 (m2m, Pd1 (.m., Pd2 (2mm, Se1 (m.., and Se2 (1. This layered structure contains six edge-sharing square-planar [PdSe4] units that form a hexagon. These, in turn, edge-share with [USe6] trigonal–prismatic units, forming an extended layer parallel to (010. The layers are stacked along [010]. They are staggered, and are separated by the Cs atoms. The Cs atoms are either coordinated in a square antiprism of Se atoms or are ten-coordinate, with one square face and the opposite face hexagonal.

  11. C-type Nd2Se3

    Directory of Open Access Journals (Sweden)

    2009-03-01

    Full Text Available The title compound, neodymium sesquiselenide, is isotypic with the other known rare-earth metal(III selenides M2Se3 (M = La–Pr and Sm–Lu with the cubic C-type structure. It adopts a cation-defective Th3P4-type arrangement with close to 8/9 of the unique neodymium-cation site occupied, leading to the composition Nd2.667Se4 (Z = 4 or Nd2Se3 (Z = 5.333, respectively. The Nd3+ cations are thus surrounded by eight selenide anions, forming trigonal [NdSe8]13− dodecahedra, whereas the Se2− anions exhibit a sixfold coordination, but due to the under-occupation of neodymium, each one is statistically surrounded by only 5.333 cations. The crystal studied was a merohedral twin with a 0.31 (6:0.69 (6 domain ratio.

  12. Synthesis and characterization of ZnSe:Fe/ZnSe core/shell nanocrystals

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Lin; Zhu, Jianguo, E-mail: yanglin_1028@163.com; Xiao, Dingquan

    2014-04-15

    High-quality ZnSe:Fe/ZnSe core/shell nanocrystals were prepared via a hydrothermal microemulsion technique. Effective surface passivation of monodisperse ZnSe:Fe nanocrystals is achieved by overcoating them with a ZnSe shell. The samples were characterized by means of XRD, EDX, TEM, PSD, XPS, photoluminescence, and Raman spectrum. The results show that the as-synthesized nanocrystals are cubic zinc blende ZnSe structure with high purity and the average particle size of ZnSe:Fe/ZnSe core/shell nanocrystal is larger than that of ZnSe:Fe core. The growth of ZnSe shell causes a small red shift in PL spectra, and then the PL quantum yield (QY) increases from 16% before shell growth to the maximum of 37% after increasing shell thickness up to 1.2 monolayers (ML). Moreover, both transverse optic (TO) and longitudinal optic (LO) phonon modes of ZnSe are shifted toward lower frequency as compared with the reported ones. -- Highlights: • ZnSe:Fe/ZnSe core/shell QDs were prepared by a hydrothermal microemulsion method. • ZnSe shell efficiently passivates surface defects by serving as a physical barrier. • The particle size and PL properties can be turned with the growth of ZnSe shell. • The luminescence efficiency and stability of QDs could be improved in this manner.

  13. Role of proteins in controlling selenium nanoparticle size

    International Nuclear Information System (INIS)

    Dobias, J; Suvorova, E I; Bernier-Latmani, R

    2011-01-01

    This work investigates the potential for harnessing the association of bacterial proteins to biogenic selenium nanoparticles (SeNPs) to control the size distribution and the morphology of the resultant SeNPs. We conducted a proteomic study and compared proteins associated with biogenic SeNPs produced by E. coli to chemically synthesized SeNPs as well as magnetite nanoparticles. We identified four proteins (AdhP, Idh, OmpC, AceA) that bound specifically to SeNPs and observed a narrower size distribution as well as more spherical morphology when the particles were synthesized chemically in the presence of proteins. A more detailed study of AdhP (alcohol dehydrogenase propanol-preferring) confirmed the strong affinity of this protein for the SeNP surface and revealed that this protein controlled the size distribution of the SeNPs and yielded a narrow size distribution with a three-fold decrease in the median size. These results support the assertion that protein may become an important tool in the industrial-scale synthesis of SeNPs of uniform size and properties.

  14. Biocompatibility selenium nanoparticles with an intrinsic oxidase-like activity

    Science.gov (United States)

    Guo, Leilei; Huang, Kaixun; Liu, Hongmei

    2016-03-01

    Selenium nanoparticles (SeNPs) are considered to be the new selenium supplement forms with high biological activity and low toxicity; however, the molecular mechanism by which SeNPs exert the biological function is unclear. Here, we reported that biocompatibility SeNPs possessed intrinsic oxidase-like activity. Using Na2SeO3 as a precursor and glutathione as a reductant, biocompatibility SeNPs were synthesized by the wet chemical reduction method in the presence of bovine serum albumin (BSA). The results of structure characterization revealed that synthesized SeNPs were amorphous red elementary selenium with spherical morphology, and ranged in size from 25 to 70 nm size with a narrow distribution (41.4 ± 6.7 nm). The oxidase-like activity of the as-synthesized SeNPs was tested with 3,3',5,5'-tetramethylbenzidine (TMB) as a substrate. The results indicated that SeNPs could catalyze the oxidization of TMB by dissolved oxygen. These SeNPs showed an optimum catalytic activity at pH 4 and 30 °C, and the oxidase-like activity was higher as the concentration of SeNPs increased and the size of SeNPs decreased. The Michaelis constant ( K m) values and maximal reaction velocity ( V max) of the SeNPs for TMB oxidation were 0.0083 mol/L and 3.042 μmol/L min, respectively.

  15. Biosynthesis of silver nanoparticles

    African Journals Online (AJOL)

    SIMBU

    2013-05-22

    May 22, 2013 ... accomplish a better control over the size and shape distributions of the nanoparticles, product harvesting, and recovery are ... stabilization of various nanoparticles by physical and che- .... colonies on Luria Bertani (LB) medium at 37°C up to 108- ..... Crude latex was obtained by cutting the green stems of J.

  16. Optical properties of nanoparticles

    DEFF Research Database (Denmark)

    Bendix, Pól Martin

    2015-01-01

    At the NBI I am involved in projects relating to optical properties of metallic nanoparticles in particular with respect to plasmonic heating with direct applications to photothermal cancer therapy. For this purpose we have developed heating assays that can be used to measure the heating of any...... nanoscopic heat source like an irradiated nanoparticle...

  17. S tudies on the phase transitions and properties of tungsten (VI oxide nanoparticles by X - Ray diffraction (XRD and thermal analysis

    Directory of Open Access Journals (Sweden)

    S.F. Abdullah

    2017-11-01

    Full Text Available Tungsten (VI oxide, WO3nanoparticles were synthesized by colloidal gas aphrons(CGAs technique.The resultant WO3nanoparticleswere characterized by thermogravimetric-differential thermal analysis (TG-DTA and X-Ray diffraction (XRD measurements in order to determine the phase transitions, the crystallinity and the size of theWO3nanoparticles. As a comparison, transmission electron microscope (TEM was used to investigate the size of the WO3nanoparticles. The result from XRD and DTA show that the formation of polymorphsWO3nanoparticles have the following sequence: orthorhombic (b-WO3®monoclinic (g-WO3 ®triclinic (d-WO3 ®monoclinic (e-WO3 with respect to the calcination temperature of 400, 500, 600 and 700°C. No diffraction peaks were found in the X-Ray diffraction measurements for the sample heat treated at 300°C (as-prepared, suggesting that an amorphous structure was obtained at this temperature whereas the crystallinity had been obtained by the other samples of theWO3nanoparticles at the calcination temperatures of 400, 500, 600 and 700°C. It is also found that the X-Ray diffraction measurements produced an average diameter of (30 ±5, (50 ±5, (150 ±10 and (200 ±10 nm at calcination temperatures of 400, 500, 600 and 700°C respectively by using Debye-Scherrer formula. The TG curve revealed that the WO3nanoparticles is purely anhydrous since the weight loss is insignificant (0.3 –1.4 % from 30 until 600°C for the WO3nanoparticles calcined at 400°C. Finally, the composition and the purity of the WO3nanoparticleshave been examined by X-Ray photoelectron spectroscopy (XPS. Theresults indicate no significant changes to the composition and the purity of the WO3nanoparticle produced due to the temperature variations

  18. Single Nanoparticle Plasmonic Sensors

    Directory of Open Access Journals (Sweden)

    Manish Sriram

    2015-10-01

    Full Text Available The adoption of plasmonic nanomaterials in optical sensors, coupled with the advances in detection techniques, has opened the way for biosensing with single plasmonic particles. Single nanoparticle sensors offer the potential to analyse biochemical interactions at a single-molecule level, thereby allowing us to capture even more information than ensemble measurements. We introduce the concepts behind single nanoparticle sensing and how the localised surface plasmon resonances of these nanoparticles are dependent upon their materials, shape and size. Then we outline the different synthetic approaches, like citrate reduction, seed-mediated and seedless growth, that enable the synthesis of gold and silver nanospheres, nanorods, nanostars, nanoprisms and other nanostructures with tunable sizes. Further, we go into the aspects related to purification and functionalisation of nanoparticles, prior to the fabrication of sensing surfaces. Finally, the recent developments in single nanoparticle detection, spectroscopy and sensing applications are discussed.

  19. Energy breathing of nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Dynich, Raman A., E-mail: dynich@solo.by [Institute of Social Educational Technologies (Belarus)

    2015-06-15

    The paper considers the energy exchange process of the electromagnetic wave with a spherical metal nanoparticle. Based on the account of the temporal dependencies of electric and magnetic fields, the author presents an analytical dependence of the energy flow passing through the spherical surface. It is shown that the electromagnetic energy, localized in metal nanoparticles, is not a stationary value and periodically varies with time. A consequence of the energy nonstationarity is a nonradiating exit of the electromagnetic energy out of the nanoparticle. During the time equal to the period of wave oscillations, the electromagnetic energy is penetrating twice into the particle and quits it twice. The particle warms up because of the difference in the incoming and outgoing energies. Such “energy breathing” is presented for spherical Ag and Au nanoparticles with radii of 10 and 33 nm, respectively. Calculations were conducted for these nanoparticles embedded into the cell cytoplasm near the frequencies of their surface plasmon resonances.

  20. Magnetic interactions between nanoparticles

    DEFF Research Database (Denmark)

    Mørup, Steen; Hansen, Mikkel Fougt; Frandsen, Cathrine

    2010-01-01

    We present a short overview of the influence of inter-particle interactions on the properties of magnetic nanoparticles. Strong magnetic dipole interactions between ferromagnetic or ferrimagnetic particles, that would be superparamagnetic if isolated, can result in a collective state...... of nanoparticles. This collective state has many similarities to spin-glasses. In samples of aggregated magnetic nanoparticles, exchange interactions are often important and this can also lead to a strong suppression of superparamagnetic relaxation. The temperature dependence of the order parameter in samples...... of strongly interacting hematite nanoparticles or goethite grains is well described by a simple mean field model. Exchange interactions between nanoparticles with different orientations of the easy axes can also result in a rotation of the sub-lattice magnetization directions....

  1. EPR of SeO2- and SeO3- radicals in alkaline borate glasses with 77Se isotope

    International Nuclear Information System (INIS)

    Galimov, D.G.; Tarzimanov, K.D.

    1977-01-01

    Alkaline borate glasses with 77 Se were investigated in order to establish the nature of selenium compounds and radicals in glasses. The relationship between alkali ions and the oxygen radical of selenium was determined by decoding the hyperfine structure of the alkaline borate glass EPR spectra obtained before and after γ-irradiation. The irradiated and non-irradiated glasses were characterized by hyperfine splitting of the EPR lines from the α- and β centres. Moreover, the irradiated samples were noted to have a line doublet (signal phi). With intenser reduction conditions of glass fusion, the intensities of α, β, and phi signals were noted to decline. This confirmes the suggestion that these centres were caused by oxygen compouds. The authors concluded that α and β signals were due to the paramagnetic centres of SeO 2 - and [SeO 2 - ]R + , and phi signal to the SeO 3 - radicals

  2. Influence of dopant concentration on the electrical properties of the CdSe-PMMA nanocomposite

    Energy Technology Data Exchange (ETDEWEB)

    Kaur, Ramneek; Tripathi, S. K., E-mail: surya@pu.ac.in, E-mail: surya-tr@yahoo.com [Department of Physics, Center of Advanced Study in Physics, Panjab University, Chandigarh-160 014 (India)

    2016-05-06

    This paper reports the synthesis and electrical characterization of CdSe-PMMA nanocomposite. CdSe-PMMA nanocomposite has been prepared by ex-situ technique through chemical route. The influence of three different Ag doping concentrations on the electrical properties has been studied in the temperature range ∼ 303-353 K. Transmission electron micrograph reveals the spherical morphology of the CdSe nanoparticles and their proper dispersion in the PMMA matrix. The electrical conduction of the polymer nanocomposites is through thermally activated process with single activation energy. With Ag doping, initially the activation energy increases upto 0.2 % Ag doping concentration but with further increase in Ag concentration, it decreases. This behavior has been discussed on the basis of randomly oriented grain boundaries and defect states. Thus, the results indicate that the transport properties of the polymer nanocomposites can be tailored by controlled doping concentration.

  3. Influence of dopant concentration on the electrical properties of the CdSe-PMMA nanocomposite

    International Nuclear Information System (INIS)

    Kaur, Ramneek; Tripathi, S. K.

    2016-01-01

    This paper reports the synthesis and electrical characterization of CdSe-PMMA nanocomposite. CdSe-PMMA nanocomposite has been prepared by ex-situ technique through chemical route. The influence of three different Ag doping concentrations on the electrical properties has been studied in the temperature range ∼ 303-353 K. Transmission electron micrograph reveals the spherical morphology of the CdSe nanoparticles and their proper dispersion in the PMMA matrix. The electrical conduction of the polymer nanocomposites is through thermally activated process with single activation energy. With Ag doping, initially the activation energy increases upto 0.2 % Ag doping concentration but with further increase in Ag concentration, it decreases. This behavior has been discussed on the basis of randomly oriented grain boundaries and defect states. Thus, the results indicate that the transport properties of the polymer nanocomposites can be tailored by controlled doping concentration.

  4. Optical properties of single wurtzite/zinc-blende ZnSe nanowires grown at low temperature

    Energy Technology Data Exchange (ETDEWEB)

    Zannier, V. [IOM-CNR Laboratorio TASC, S. S. 14, Km. 163.5, I-34149 Trieste (Italy); Department of Physics, University of Trieste, Via Valerio 2, I-34127 Trieste (Italy); Cremel, T.; Kheng, K. [Univ. Grenoble Alpes, F-38000 Grenoble (France); CEA, INAC-SP2M, « Nanophysique et Semiconducteurs » Group, F-38000 Grenoble (France); Artioli, A.; Ferrand, D. [Univ. Grenoble Alpes, F-38000 Grenoble (France); CNRS, Institut Néel, « Nanophysique et Semiconducteurs » Group, F-38000 Grenoble (France); Grillo, V. [IMEM-CNR, Parco Area delle Scienze 37/A, I-43010 Parma (Italy); S3 NANO-CNR, Via Campi 213/A, I-41125 Modena (Italy); Rubini, S. [IOM-CNR Laboratorio TASC, S. S. 14, Km. 163.5, I-34149 Trieste (Italy)

    2015-09-07

    ZnSe nanowires with a dominant wurtzite structure have been grown at low temperature (300 °C) by molecular beam epitaxy assisted by solid Au nanoparticles. The nanowires emission is polarized perpendicularly to their axis in agreement with the wurtzite selection rules. Alternations of wurtzite and zinc-blende regions have been observed by transmission electron microscopy, and their impact on the nanowires optical properties has been studied by microphotoluminescence. The nanowires show a dominant intense near-band-edge emission as well as the ZnSe wurtzite free exciton line. A type II band alignment between zinc-blende and wurtzite ZnSe is evidenced by time-resolved photoluminescence. From this measurement, we deduce values for the conduction and valence band offsets of 98 and 50 meV, respectively.

  5. Speciation of Se and DOC in soil solution and their relation to Se bioavailability.

    Science.gov (United States)

    Weng, Liping; Vega, Flora Alonso; Supriatin, Supriatin; Bussink, Wim; Van Riemsdijk, Willem H

    2011-01-01

    A 0.01 M CaCl(2) extraction is often used to asses the bioavailability of plant nutrients in soils. However, almost no correlation was found between selenium (Se) in the soil extraction and Se content in grass. The recently developed anion Donnan membrane technique was used to analyze chemical speciation of Se in the 0.01 M CaCl(2) extractions of grassland soils and fractionation of DOC (dissolved organic carbon). The results show that most of Se (67-86%) in the extractions (15 samples) are colloidal-sized Se. Only 13-34% of extractable Se are selenate, selenite and small organic Se (<1 nm). Colloidal Se is, most likely, Se bound to or incorporated in colloidal-sized organic matter. The dominant form of small Se compounds (selenate, selenite/small organic compounds) depends on soil. A total of 47-85% of DOC is colloidal-sized and 15-53% are small organic molecules (<1 nm). In combination with soluble S (sulfur) and/or P (phosphor), concentration of small DOC can explain most of the variability of Se content in grass. The results indicate that mineralization of organic Se is the most important factor that controls Se availability in soils. Competition with sulfate and phosphate needs to be taken into account. Further research is needed to verify if concentration of small DOC is a good indicator of mineralization of soil organic matter.

  6. Functional Magnetic Nanoparticles

    Science.gov (United States)

    Gass, James

    Nanoparticle system research and characterization is the focal point of this research and dissertation. In the research presented here, magnetite, cobalt, and ferrite nanoparticle systems have been explored in regard to their magnetocaloric effect (MCE) properties, as well as for use in polymer composites. Both areas of study have potential applications across a wide variety of interdisciplinary fields. Magnetite nanoparticles have been successfully dispersed in a polymer. The surface chemistry of the magnetic nanoparticle proves critical to obtaining a homogenous and well separated high density dispersion in PMMA. Theoretical studies found in the literature have indicated that surface interface energy is a critical component in dispersion. Oleic acid is used to alter the surface of magnetite nanoparticles and successfully achieve good dispersion in a PMMA thin film. Polypyrrole is then coated onto the PMMA composite layer. The bilayer is characterized using cross-sectional TEM, cross-sectional SEM, magnetic characterization, and low frequency conductivity. The results show that the superparmagnetic properties of the as synthesized particles are maintained in the composite. With further study of the properties of these nanoparticles for real and functional uses, MCE is studied on a variety of magnetic nanoparticle systems. Magnetite, manganese zinc ferrite, and cobalt ferrite systems show significant broadening of the MCE and the ability to tune the peak temperature of MCE by varying the size of the nanoparticles. Four distinct systems are studied including cobalt, cobalt core silver shell nanoparticles, nickel ferrite, and ball milled zinc ferrite. The results demonstrate the importance of surface characteristics on MCE. Surface spin disorder appears to have a large influence on the low temperature magnetic and magnetocalorie characteristics of these nanoparticle systems.

  7. Properties of electrospun CdS and CdSe filled poly(methyl methacrylate) (PMMA) nanofibres

    Energy Technology Data Exchange (ETDEWEB)

    Mthethwa, T.P. [University of Johannesburg, Department of Chemical Technology, P.O. Box 17011, Doornfontein 2028 (South Africa); Moloto, M.J., E-mail: mmoloto@uj.ac.za [University of Johannesburg, Department of Chemical Technology, P.O. Box 17011, Doornfontein 2028 (South Africa); De Vries, A.; Matabola, K.P. [CSIR Materials Science and Manufacturing, 4 Gomery avenue, Summerstrand, Port Elizabeth 6000 (South Africa)

    2011-04-15

    Graphical abstract: SEM images of CdS/PMMA showing coiling as loading of CdS nanoparticles is increased. Thermal stability is increased with increase in %loading of both CdS and CdSe nanoparticles. Research highlights: {yields} TOPO-capped CdS and HDA-capped CdSe nanoparticles were synthesized and fully characterized. {yields} The nanoparticles were mixed with the polymer, PMMA using electrospinning technique using 2, 5 and 10% weight loadings. {yields} The mixture was spun to produce fibres with optical and thermal properties showing significant change and also the increase in loading causing bending or spiraling. {yields} Both TEM images for nanoparticles and SEM for fibres shows the morphology and sizes of the particles. -- Abstract: Electrospinning technique was used to fabricate poly(methyl methacrylate) (PMMA) fibres incorporating CdS and CdSe quantum dots (nanoparticles). Different nanoparticle loadings (2, 5 and 10 wt% with respect to PMMA) were used and the effect of the quantum dots on the properties of the fibres was studied. The optical properties of the hybrid composite fibres were investigated by photoluminescence and UV-vis spectrophotometry. Scanning electron microscopy (SEM), X-ray diffraction and FTIR spectrophotometry were also used to investigate the morphology and structure of the fibres. The optical studies showed that the size-tunable optical properties can be achieved in the polymer fibres by addition of quantum dots. SEM images showed that the morphologies of the fibres were dependent on the added amounts of quantum dots. A spiral type of morphology was observed with an increase in the concentration of CdS and CdSe nanoparticles. Less beaded structures and bigger diameter fibres were obtained at higher quantum dot concentrations. X-ray diffractometry detected the amorphous peaks of the polymer and even after the quantum dots were added and the FTIR analysis shows that there was no considerable interaction between the quantum dots and the

  8. Properties of electrospun CdS and CdSe filled poly(methyl methacrylate) (PMMA) nanofibres

    International Nuclear Information System (INIS)

    Mthethwa, T.P.; Moloto, M.J.; De Vries, A.; Matabola, K.P.

    2011-01-01

    Graphical abstract: SEM images of CdS/PMMA showing coiling as loading of CdS nanoparticles is increased. Thermal stability is increased with increase in %loading of both CdS and CdSe nanoparticles. Research highlights: → TOPO-capped CdS and HDA-capped CdSe nanoparticles were synthesized and fully characterized. → The nanoparticles were mixed with the polymer, PMMA using electrospinning technique using 2, 5 and 10% weight loadings. → The mixture was spun to produce fibres with optical and thermal properties showing significant change and also the increase in loading causing bending or spiraling. → Both TEM images for nanoparticles and SEM for fibres shows the morphology and sizes of the particles. -- Abstract: Electrospinning technique was used to fabricate poly(methyl methacrylate) (PMMA) fibres incorporating CdS and CdSe quantum dots (nanoparticles). Different nanoparticle loadings (2, 5 and 10 wt% with respect to PMMA) were used and the effect of the quantum dots on the properties of the fibres was studied. The optical properties of the hybrid composite fibres were investigated by photoluminescence and UV-vis spectrophotometry. Scanning electron microscopy (SEM), X-ray diffraction and FTIR spectrophotometry were also used to investigate the morphology and structure of the fibres. The optical studies showed that the size-tunable optical properties can be achieved in the polymer fibres by addition of quantum dots. SEM images showed that the morphologies of the fibres were dependent on the added amounts of quantum dots. A spiral type of morphology was observed with an increase in the concentration of CdS and CdSe nanoparticles. Less beaded structures and bigger diameter fibres were obtained at higher quantum dot concentrations. X-ray diffractometry detected the amorphous peaks of the polymer and even after the quantum dots were added and the FTIR analysis shows that there was no considerable interaction between the quantum dots and the polymer fibres at low

  9. Studies on Optical and Electrical Properties of Hafnium Oxide Nanoparticles

    Science.gov (United States)

    Jayaraman, Venkatachalam; Sagadevan, Suresh; Sudhakar, Rajesh

    2017-07-01

    In this paper, the synthesis and physico-chemical properties of hafnium oxide nanoparticles (HfO2 NPs) are analyzed and reported. The synthesis was carried out by the precipitation route by using hafnium tetrachloride (HfCl4) as precursor material with potassium hydroxide (KOH) dissolved in Millipore water. In the precipitation technique, the chemical reaction is comparatively simple, low-cost and non-toxic compared to other synthetic methods. The synthesized HfO2 NPs were characterized by using powder x-ray diffraction (PXRD), ultraviolet-visible (UV-Vis) spectroscopy, Raman analysis, and high-resolution transmission electron microscopy (HRTEM). The monoclinic structure of the HfO2 NPs was resolved utilizing x-ray diffraction (XRD). The optical properties were studied from the UV-Vis absorption spectrum. The optical band gap of the HfO2NPs was observed to be 5.1 eV. The Raman spectrum shows the presence of HfO2 NPs. The HRTEM image showed that the HfO2 NPs were of spherical shape with an average particle size of around 28 nm. The energy-dispersive x-ray spectroscopy (EDS) spectrum obviously demonstrated the presence of HfO2 NPs. Analysis and studies on the dielectric properties of the HfO2 NPs such as the dielectric constant, the dielectric loss, and alternating current (AC) conductivity were carried out at varying frequencies and temperatures.

  10. Synthesis of ZrO2 nanoparticles by hydrothermal treatment

    International Nuclear Information System (INIS)

    Machmudah, Siti; Widiyastuti, W.; Prastuti, Okky Putri; Nurtono, Tantular; Winardi, Sugeng; Wahyudiono,; Kanda, Hideki; Goto, Motonobu

    2014-01-01

    Zirconium oxide (zirconia, ZrO 2 ) is the most common material used for electrolyte of solid oxide fuel cells (SOFCs). Zirconia has attracted attention for applications in optical coatings, buffer layers for growing superconductors, thermal-shield, corrosion resistant coatings, ionic conductors, and oxygen sensors, and for potential applications including transparent optical devices and electrochemical capacitor electrodes, fuel cells, catalysts, and advanced ceramics. In this work, zirconia particles were synthesized from ZrCl 4 precursor with hydrothermal treatment in a batch reactor. Hydrothermal treatment may allow obtaining nanoparticles and sintered materials with controlled chemical and structural characteristics. Hydrothermal treatment was carried out at temperatures of 150 – 200°C with precursor concentration of 0.1 – 0.5 M. Zirconia particles obtained from this treatment were analyzed by using SEM, PSD and XRD to characterize the morphology, particle size distribution, and crystallinity, respectively. Based on the analysis, the size of zirconia particles were around 200 nm and it became smaller with decreasing precursor concentration. The increasing temperature caused the particles formed having uniform size. Zirconia particles formed by hydrothermal treatment were monoclinic, tetragonal and cubic crystal

  11. On Some Physical Properties of GeSe3-Sb2Se3-ZnSe Thin Films and Their Radiation Response

    International Nuclear Information System (INIS)

    Hosni, H.M.M.A.

    2010-01-01

    Thin films of the chalcogenides GeSe 3 , Sb 2 Se 3 , ZnSe, (GeSe 3 )80(Sb 2 Se 3 )20 and (GeSe 3 )70(Sb 2 Se 3 )10(ZnSe)20, are prepared by thermal evaporation onto glass substrates. The effect of ZnSe incorporation with both GeSe 3 , Sb 2 Se 3 results in amorphous (GeSe 3 )70(Sb 2 Se 3 )10(ZnSe)20 composition as obtained from the X-ray analysis. Electrical measurements reveal a decrease in dc activation energy, ΔEdc, and an increase in ac activation energy, ΔEac, for (GeSe 3 )70(Sb 2 Se 3 )10(ZnSe)20 as compared with (GeSe 3 )80(Sb 2 Se 3 )20. Optical energy gap, Eg, and band tail width, Ee, are estimated in UV/VIS spectral region for fresh and γ-irradiated films, revealing a decrease in Eg and an increase in Ee for ZnSe and (GeSe 3 )70(Sb 2 Se 3 )10(ZnSe)20 compositions, with irradiation dose.

  12. Microemulsion Synthesis of Nanoparticles

    Directory of Open Access Journals (Sweden)

    Gotić, M.

    2013-11-01

    Full Text Available Nanoparticles and nanomaterials have wide applications in electronics, physics, material design, being also utilized as sensors, catalysts, and more and more in biomedicine. Microemulsions are an exceptionally suitable medium for the synthesis of nanoparticles due to their thermodynamical stability, great solubility of both polar and nonpolar components, as well as their ability to control the size, dispersity and shape of the particles. This review presents microemulsion techniques for the synthesis of inorganic nanoparticles. It takes place in water-in-oil microemulsions by mixing one microemulsion with a cationic precursor, and the other with a precipitating or reducing agent, or by direct addition of reducing agents or gas (O2, NH3 ili CO2 into microemul sion (Fig. 1. Metal nanoparticles are used as catalysts, sensors, ferrofluids etc. They are produced by reducing the metal cation with a suitable reducing agent. In a similar way, one can prepare nanoparticles of alloys from the metal salts, provided that the metals are mutually soluble. The microemulsion technique is also suitable for depositing nanoparticles onto various surfaces. Highly active catalysts made from nanoparticles of Pt, Pd, Rh and other noble metals may be obtained in this way. Metal oxides and hydroxides may be prepared by hydrolysis or precipitation in the water core of microemulsion. Precipitation can be initiated by adding the base or precipitating agent into the microemulsion with water solution of metal ions. Similarly, nanoparticles may be prepared of sulphides, halogenides, cyanides, carbonates, sulphates and other insoluble metal salts. To prevent oxidation of nanoparticles, especially Fe, the particles are coated with inert metals, oxides, various polymers etc. Coating may provide additional functionality; e.g. coating with gold allows subsequent functionalization with organic compounds containing sulphur, due to the strong Au–S bond. Polymer coatings decrease

  13. Encapsulation of gold nanoparticles into self-assembling protein nanoparticles

    Directory of Open Access Journals (Sweden)

    Yang Yongkun

    2012-10-01

    Full Text Available Abstract Background Gold nanoparticles are useful tools for biological applications due to their attractive physical and chemical properties. Their applications can be further expanded when they are functionalized with biological molecules. The biological molecules not only provide the interfaces for interactions between nanoparticles and biological environment, but also contribute their biological functions to the nanoparticles. Therefore, we used self-assembling protein nanoparticles (SAPNs to encapsulate gold nanoparticles. The protein nanoparticles are formed upon self-assembly of a protein chain that is composed of a pentameric coiled-coil domain at the N-terminus and trimeric coiled-coil domain at the C-terminus. The self-assembling protein nanoparticles form a central cavity of about 10 nm in size, which is ideal for the encapsulation of gold nanoparticles with similar sizes. Results We have used SAPNs to encapsulate several commercially available gold nanoparticles. The hydrodynamic size and the surface coating of gold nanoparticles are two important factors influencing successful encapsulation by the SAPNs. Gold nanoparticles with a hydrodynamic size of less than 15 nm can successfully be encapsulated. Gold nanoparticles with citrate coating appear to have stronger interactions with the proteins, which can interfere with the formation of regular protein nanoparticles. Upon encapsulation gold nanoparticles with polymer coating interfere less strongly with the ability of the SAPNs to assemble into nanoparticles. Although the central cavity of the SAPNs carries an overall charge, the electrostatic interaction appears to be less critical for the efficient encapsulation of gold nanoparticles into the protein nanoparticles. Conclusions The SAPNs can be used to encapsulate gold nanoparticles. The SAPNs can be further functionalized by engineering functional peptides or proteins to either their N- or C-termini. Therefore encapsulation of gold

  14. Novel monoclinic zirconolite in Bi{sub 2}O{sub 3}–CuO–Ta{sub 2}O{sub 5} ternary system: Phase equilibria, structural and electrical properties

    Energy Technology Data Exchange (ETDEWEB)

    Tan, K.B., E-mail: tankb@science.upm.my [Department of Chemistry, Faculty of Science, Universiti Putra Malaysia, 43400 Serdang, Selangor (Malaysia); Chon, M.P. [Department of Chemistry, Faculty of Science, Universiti Putra Malaysia, 43400 Serdang, Selangor (Malaysia); Khaw, C.C. [Department of Mechanical and Material Engineering, Faculty of Engineering and Science, Universiti Tunku Abdul Rahman, 53300 Setapak, Kuala Lumpur (Malaysia); Zainal, Z.; Taufiq Yap, Y.H.; Tan, P.Y. [Department of Chemistry, Faculty of Science, Universiti Putra Malaysia, 43400 Serdang, Selangor (Malaysia)

    2014-04-01

    Highlights: • Novel BCT monoclinic zirconolite phase was prepared through solid state reaction. • Comprehensive study of reaction mechanism was performed by careful firing control. • Qualitative structural and phase analyses were conducted. • Electrical response in broad range of temperature and frequency was investigated. - Abstract: Synthesis of novel monoclinic zirconolite, Bi{sub 1.92}Cu{sub 0.08}(Cu{sub 0.3}Ta{sub 0.7}){sub 2}O{sub 7.06} (β-BCT) using solid state reaction had been finalised at the firing temperature of 900 °C over 24 h. The X–ray diffraction pattern of β-BCT was fully indexed on a monoclinic symmetry, space group, C2/c with lattice constants, a = 13.1052 (8), b = 7.6749 (5), c = 12.162 (6), α = γ = 90° and β = 101.32° (1), respectively. The reaction mechanism study indicated phase formation was greatly influenced by the reaction between intermediate bismuth tantalate binary phases and CuO at elevated temperatures. β-BCT was thermally stable up to a temperature of 900 °C and contained spherulite grains with sizes ranging from 1 to 14 μm. Electrical properties of this material were characterised over a broad temperature range covering temperatures from 10 K to 874 K. At the temperature of 304 K, two semicircles were discernible in complex Cole–Cole plot showing an insulating grain boundary with C{sub gb} = 6.63 × 10{sup −9} F cm{sup −1} and a bulk response capacitance, C{sub b} = 6.74 × 10{sup −12} F cm{sup −1}. The Power law frequency-dependent ac conductivity of β-BCT was apparent in three frequency regimes; a low–frequency plateau regime, a high-frequency plateau regime and a dispersive regime taking place in the temperature range of 220–576 K. The frequency-dependent ac conductivity of β-BCT with increasing temperature was attributed to the thermal activated electrical conduction mechanism within the structure.

  15. Excitons, biexcitons, and phonons in ultrathin CdSe/ZnSe quantum structures

    DEFF Research Database (Denmark)

    Gindele, F.; Woggon, Ulrike; Langbein, Wolfgang Werner

    1999-01-01

    The optical properties of CdSe nanostructures grown by migration-enhanced epitaxy of CdSe on ZnSe are studied by time-, energy-, and temperature-dependent photoluminescence and excitation spectroscopy, as well as by polarization-dependent four-wave mixing and two-photon absorption experiments...

  16. Controlling Growth High Uniformity Indium Selenide (In2Se3) Nanowires via the Rapid Thermal Annealing Process at Low Temperature.

    Science.gov (United States)

    Hsu, Ya-Chu; Hung, Yu-Chen; Wang, Chiu-Yen

    2017-09-15

    High uniformity Au-catalyzed indium selenide (In 2 Se 3) nanowires are grown with the rapid thermal annealing (RTA) treatment via the vapor-liquid-solid (VLS) mechanism. The diameters of Au-catalyzed In 2 Se 3 nanowires could be controlled with varied thicknesses of Au films, and the uniformity of nanowires is improved via a fast pre-annealing rate, 100 °C/s. Comparing with the slower heating rate, 0.1 °C/s, the average diameters and distributions (standard deviation, SD) of In 2 Se 3 nanowires with and without the RTA process are 97.14 ± 22.95 nm (23.63%) and 119.06 ± 48.75 nm (40.95%), respectively. The in situ annealing TEM is used to study the effect of heating rate on the formation of Au nanoparticles from the as-deposited Au film. The results demonstrate that the average diameters and distributions of Au nanoparticles with and without the RTA process are 19.84 ± 5.96 nm (30.00%) and about 22.06 ± 9.00 nm (40.80%), respectively. It proves that the diameter size, distribution, and uniformity of Au-catalyzed In 2 Se 3 nanowires are reduced and improved via the RTA pre-treated. The systemic study could help to control the size distribution of other nanomaterials through tuning the annealing rate, temperatures of precursor, and growth substrate to control the size distribution of other nanomaterials. Graphical Abstract Rapid thermal annealing (RTA) process proved that it can uniform the size distribution of Au nanoparticles, and then it can be used to grow the high uniformity Au-catalyzed In 2 Se 3 nanowires via the vapor-liquid-solid (VLS) mechanism. Comparing with the general growth condition, the heating rate is slow, 0.1 °C/s, and the growth temperature is a relatively high growth temperature, > 650 °C. RTA pre-treated growth substrate can form smaller and uniform Au nanoparticles to react with the In 2 Se 3 vapor and produce the high uniformity In 2 Se 3 nanowires. The in situ annealing TEM is used to realize the effect of heating

  17. Como Perseu se defendeu de Medusa?

    Directory of Open Access Journals (Sweden)

    Rose Lumertz de Freitas

    2012-04-01

    Full Text Available Na psicanálise francesa, principalmente com Lacan, o conceito de falta passou a ser de grande importância. Ao que, então, perguntamos: o que é a falta? E quando esta falta? O que acontece? O que acontece quando o não especularizável não está excluído, se fazendo, assim, especular? Quando Perseu vai ao encontro de Medusa, guiando-se por sua imagem refletida em um espelho de bronze polido, segurado por Atena, como pôde este herói defender-se de Medusa? Qual foi a forma encontrada por ele para se defender da presença do objeto que introduz a dimensão do real nu?

  18. Solving the shape conundrum in $^{70}$Se

    CERN Multimedia

    We propose a multi-step Coulomb-excitation study of $^{70}$Se at HIE-ISOLDE using the $^{208}$Pb( $^{70}$Se, $^{70}$Se*)$^{208}$Pb* reaction at a safe energy of 5.0 MeV/u. We aim at a precise measurement of the $\\left \\langle 2^{+}_{1} \\hspace{0.1cm} || \\hspace{0.1cm}\\hat{E}2 \\hspace{0.1cm} || \\hspace{0.1cm}2^{+}_{ 1} \\right \\rangle$ diagonal matrix element as well as gaining information on additional matrix elements. Such information will shed light onto the shape conundrum of the 2$^{+}_{1}$ state in $^{70}$Se as well as foreseeing the opportunity for a more detailed understanding of the shape-coexistence phenomenon in this region.

  19. Thermoelectric prospects of chemically deposited PbSe and SnSe thin films

    Science.gov (United States)

    Nair, P. K.; Martínez, Ana Karen; Rosa García Angelmo, Ana; Barrios Salgado, Enue; Nair, M. T. S.

    2018-03-01

    Thin films of PbSe of 400-600 nm in thickness, were obtained via chemical deposition from a solution containing lead nitrate, thiourea and selenosufate. SnSe thin films of 90-180 nm in thickness, were also obtained by chemical deposition from a solution containing selenosulfate. Optical and electrical properties of these thin films were significantly altered by heating them in selenium vapor at 300 °C. Thin film PbSe has a bandgap (Eg) of 1.17 eV (direct gap, forbidden transitions), which decreases to 0.77 eV when it has been heated. Its electrical conductivity (σ) is p-type: 0.18 Ω-1 cm-1 (as-prepared), and 6.4 Ω-1 cm-1 when heated. Thin film SnSe is of orthorhombic crystalline structure which remains stable when heated at 300 °C, but its Eg increases from 1.12 eV (indirect) in as-prepared film to 1.5 eV (direct, forbidden transitions) upon heating. Its electrical conductivity is p-type, which increases from 0.3 Ω-1 cm-1 (as-prepared) to 1 Ω-1 cm-1 when heated (without Se-vapor). When SnSe film is heated at 300 °C in the presence of Se-vapor, they transform to SnSe2, with Eg of 1.5 eV (direct, forbidden) with n-type electrical conductivity, 11 Ω-1 cm-1. The Seebeck coefficient for the PbSe films is: +0.55 mV K-1 (as prepared) and +0.275 mV K-1 (heated); for SnSe films it is: +0.3 mV K-1 (as prepared) and +0.20 mV K-1 (heated); and for SnSe2 film, - 0.35 mV K-1. A five-element PbSe-SnSe2-PbSe-SnSe2-PbSe thermoelectric device demonstrated 50 mV for a temperature difference ΔT = 20 °C (2.5 mV K-1). For SnSe-SnSe2-SnSe-SnSe2-SnSe device, the value is 15 mV for ΔT = 20 °C (0.75 mV K-1). Prospect of these thin films in thermoelectric devices of hybrid materials, in which the coatings may be applied on distinct substrate and geometries is attractive.

  20. [Pb2F2](SeO4): a heavier analogue of grandreefite, the first layered fluoride selenate

    Science.gov (United States)

    Charkin, Dmitri O.; Plokhikh, Igor V.; Zadoya, Anastasiya I.; Kazakov, Sergey M.; Zaloga, Alexander N.; Kozin, Michael S.; Depmeier, Wulf; Siidra, Oleg I.

    2018-01-01

    Co-precipitation of PbF2 and PbSeO4 in weakly acidic media results in the formation of [Pb2F2](SeO4), the selenate analogue of the naturally occurring mineral grandreefite, [Pb2F2](SO4). The new compound is monoclinic, C2/ c, a = 14.0784(2) Å, b = 4.6267(1) Å, c = 8.8628(1) Å, β = 108.98(1)°, V = 545.93(1) Å3. Its structure has been refined from powder data to R B = 1.55%. From thermal studies, it is established that the compound is stable in air up to about 300 °C, after which it gradually converts into a single phase with composition [Pb2O](SeO4), space group C2/ m, and lattice parameters a = 14.0332(1) Å, b = 5.7532(1) Å, c = 7.2113(1) Å, β = 115.07(1)°, V = 527.37(1) Å3. It is the selenate analogue of lanarkite, [Pb2O](SO4), and phoenicochroite, [Pb2O](CrO4), and its crystal structure was refined to R B = 1.21%. The formation of a single decomposition product upon heating in air suggests that this happens by a thermal hydrolysis mechanism, i.e., Pb2F2SeO4 + H2O (vapor) → Pb2OSeO4 + 2HF↑. This relatively low-temperature process involves complete rearrangement of the crystal structure—from a 2D architecture featuring slabs [Pb2F2]2+ formed by fluorine-centered tetrahedra into a structure characterized by 1D motifs based on [OPb2]2+ chains of oxocentered tetrahedra. The comparative crystal chemistry of the obtained anion-centered structural architectures is discussed.

  1. Lustre filesystem for CMS storage element (SE)

    International Nuclear Information System (INIS)

    Wu, Y; Kim, B; Avery, P; Fu, Y; Bourilkov, D; Taylor, C; Prescott, C; Rodriguez, J

    2011-01-01

    This paper presents our effort to integrate the Lustre filesystem with BeStMan, GridFTP and Ganglia to make it a fully functional WLCG SE (Storage Element). We first describe the configuration of our Lustre filesystem at the University of Florida and our integration process. We then present benchmark performance figures and IO rates from the CMS analysis jobs and the WAN data transfer performance that are conducted on the Lustre SE.

  2. The system SnTe-InSe

    International Nuclear Information System (INIS)

    Gurshumov, A.P.; Alidzhanov, M.A.; Aliev, A.S.; Gadzhiev, T.G.; Mamedov, N.A.

    1986-01-01

    This paper discusses the nature of the interaction and physicochemical properties of the alloys of the system SnTe-InSe. The DTA was performed on an NTR-74 pyrometer, XPA on a Dron-2.0 diffractometer and MSA on an MIM-7 metallographic microscope. The microhardness of the samples was determined on a PMT-3 microhardness tester. The congruently melting compound SnInTeSe and solid solutions based on the starting components are formed in the system

  3. Los jóvenes se incomunican

    Directory of Open Access Journals (Sweden)

    Margarita Ferro

    2015-01-01

    Full Text Available Hace años los jóvenes se comunicaban y relacionaban con sus amigos del barrio o de la escuela por lo que desde pequeños desarrollaban una comunicación interpersonal fluida. Hoy los video-juegos han sustituido la amistad y se han transformado en elementos de la comunicación. La autora analiza el mundo del nintendo y su influencia en las personas

  4. Electronically cloaked nanoparticles

    Science.gov (United States)

    Shen, Wenqing

    The concept of electronic cloaking is to design objects invisible to conduction electrons. The approach of electronic cloaking has been recently suggested to design invisible nanoparticle dopants with electronic scattering cross section smaller than 1% of the physical cross section (pi a2), and therefore to enhance the carrier mobility of bulk materials. The proposed nanoparticles have core-shell structures. The dopants are incorporated inside the core, while the shell layer serves both as a spacer to separate the charge carriers from their parent atoms and as a cloaking shell to minimize the scattering cross section of the electrons from the ionized nanoparticles. Thermoelectric materials are usually highly doped to have enough carrier density. Using invisible dopants could achieve larger thermoelectric power factors by enhancing the electronic mobility. Core-shell nanoparticles show an advantage over one-layer nanoparticles, which are proposed in three-dimensional modulation doping. However designing such nanoparticles is not easy as there are too many parameters to be considered. This thesis first shows an approach to design hollow nanoparticles by applying constrains on variables. In the second part, a simple mapping approach is introduced where one can identify possible core-shell particles by comparing the dimensionless parameters of chosen materials with provided maps. In both parts of this work, several designs with realistic materials were made and proven to achieve electronic cloaking. Improvement in the thermoelectric power factor compared to the traditional impurity doping method was demonstrated in several cases.

  5. Synthesis, characterization and spectral temperature-dependence of thioglycerol-CdSe nanocrystals

    Energy Technology Data Exchange (ETDEWEB)

    Ben Brahim, Nassim, E-mail: nassim.benbrahim.fsm@gmail.com [Laboratoire des Interfaces et Matériaux Avancés, Faculté des Sciences de Monastir, Boulevard de l’Environnement, 5019 Monastir (Tunisia); Poggi, Mélanie [Laboratoire de Physique de la Matière Condensée, CNRS, Ecole Polytechnique, Université Paris-Saclay, 91128 Palaiseau (France); Haj Mohamed, Naim Bel; Ben Chaâbane, Rafik; Haouari, Mohamed [Laboratoire des Interfaces et Matériaux Avancés, Faculté des Sciences de Monastir, Boulevard de l’Environnement, 5019 Monastir (Tunisia); Negrerie, Michel, E-mail: michel.negrerie@polytechnique.fr [Laboratoire d' Optique et Biosciences, INSERM, CNRS, Ecole Polytechnique, Université Paris-Saclay, 91128 Palaiseau (France); Ben Ouada, Hafedh [Laboratoire des Interfaces et Matériaux Avancés, Faculté des Sciences de Monastir, Boulevard de l’Environnement, 5019 Monastir (Tunisia)

    2016-09-15

    Water-soluble CdSe quantum dots (QDs) have been synthesized with thioglycerol as a stabilizer through a novel hydrothermal route. The obtained thioglycerol capped CdSe (TG-CdSe) nanocrystals were characterized regarding their morphology and structural, thermal and optical properties. The resulting nanocrystals were synthesized in the cubic structure with a near spherical shape, as confirmed by X-ray diffraction and transmission electron microscopy. Combining transmission electron microscopy imaging and calculations using UV–visible absorption spectrum and X-ray diffraction pattern, the diameter of the synthesized nanocrystals was estimated to 2.26 nm. As confirmed by its Fourier transform IR spectrum, thioglycerol was successfully liganded on the surface of the resulting nanocrystals. Band structure parameters of the TG-CdSe nanoparticles were determined and quantum confinement effect was evidenced by optical absorption, fluorescence and Raman measurements. The thermal properties of the TG-CdSe were explored by thermal gravimetric analysis and differential scanning calorimetry. The temperature dependence of both the absorption and fluorescence spectra in the physiological range makes the TG-CdSe nanocrystals sensitive temperature markers, a property that must be taken into account when developing any probing applications, especially for cellular imaging.

  6. In{sub 6}Se{sub 7} thin films by heating thermally evaporated indium and chemical bath deposited selenium multilayers

    Energy Technology Data Exchange (ETDEWEB)

    Ornelas, R.E.; Avellaneda, D. [Universidad Autonoma de Nuevo Leon, Facultad de Ingenieria Mecanica y Electrica, San Nicolas de los Garza, Nuevo Leon-66450 (Mexico); Shaji, S. [Universidad Autonoma de Nuevo Leon, Facultad de Ingenieria Mecanica y Electrica, San Nicolas de los Garza, Nuevo Leon-66450 (Mexico); Universidad Autonoma de Nuevo Leon-CIIDIT, Apodaca, N.L (Mexico); Castillo, G.A.; Roy, T.K. Das [Universidad Autonoma de Nuevo Leon, Facultad de Ingenieria Mecanica y Electrica, San Nicolas de los Garza, Nuevo Leon-66450 (Mexico); Krishnan, B., E-mail: kbindu_k@yahoo.com [Universidad Autonoma de Nuevo Leon, Facultad de Ingenieria Mecanica y Electrica, San Nicolas de los Garza, Nuevo Leon-66450 (Mexico); Universidad Autonoma de Nuevo Leon-CIIDIT, Apodaca, N.L (Mexico)

    2012-05-15

    Indium selenide (In{sub 6}Se{sub 7}) thin films were prepared via selenization of thermally evaporated indium thin films by dipping in sodium selenosulphate solution followed by annealing in nitrogen atmosphere. First, indium was thermally evaporated on glass substrate. Then, the indium coated glass substrates were dipped in a solution containing 80 ml 0.125 M sodium selenosulphate and 1.5 ml dilute acetic acid (25%) for 5 min. Glass/In-Se layers were annealed at 200-400 Degree-Sign C in nitrogen atmosphere (0.1 Torr) for 30 min. X-ray diffraction studies showed the formation of monoclinic In{sub 6}Se{sub 7}. Morphology of the thin films formed at different conditions was analyzed using Scanning electron microscopy. The elemental analysis was done using Energy dispersive X-ray detection. Electrical conductivity under dark and illumination conditions was evaluated. Optical band gap was computed using transmittance and reflectance spectra. The band gap value was in the range 1.8-2.6 eV corresponding to a direct allowed transition. We studied the effect of indium layer thickness and selenium deposition time on the structure, electrical and optical properties of In{sub 6}Se{sub 7} thin films.

  7. Facile hot-injection synthesis of stoichiometric Cu2ZnSnSe4 nanocrystals using bis(triethylsilyl) selenide.

    Science.gov (United States)

    Jin, Chunyu; Ramasamy, Parthiban; Kim, Jinkwon

    2014-07-07

    Cu2ZnSnSe4 is a prospective material as an absorber in thin film solar cells due to its many advantages including direct band gap, high absorption coefficient, low toxicity, and relative abundance (indium-free) of its elements. In this report, CZTSe nanoparticles have been synthesized by the hot-injection method using bis-(triethylsilyl)selenide [(Et3Si)2Se] as the selenium source for the first time. Energy dispersive X-ray spectroscopy (EDS) confirmed the stoichiometry of CZTSe nanoparticles. X-ray diffraction (XRD) and transmission electron microscopy (TEM) studies showed that the nanocrystals were single phase polycrystalline with their size within the range of 25-30 nm. X-ray photoelectron spectroscopy (XPS) and Raman spectroscopy measurements ruled out the existence of secondary phases such as Cu2SnSe3 and ZnSe. The effect of reaction time and precursor injection order on the formation of stoichiometric CZTSe nanoparticles has been studied by Raman spectroscopy. UV-vis-NIR data indicate that the CZTSe nanocrystals have an optical band gap of 1.59 eV, which is optimal for photovoltaic applications.

  8. Liposome encapsulation of fluorescent nanoparticles: Quantum dots and silica nanoparticles

    International Nuclear Information System (INIS)

    Chen, C.-S.; Yao Jie; Durst, Richard A.

    2006-01-01

    Quantum dots (QDs) and silica nanoparticles (SNs) are relatively new classes of fluorescent probes that overcome the limitations encountered by organic fluorophores in bioassay and biological imaging applications. We encapsulated QDs and SNs in liposomes and separated nanoparticle-loaded liposomes from unencapsulated nanoparticles by size exclusion chromatography. Fluorescence correlation spectroscopy was used to measure the average number of nanoparticles inside each liposome. Results indicated that nanoparticle-loaded liposomes were formed and separated from unencapsulated nanoparticles by using a Sepharose gel. As expected, fluorescence self-quenching of nanoparticles inside liposomes was not observed. Each liposome encapsulated an average of three QDs. These studies demonstrated that nanoparticles could be successfully encapsulated into liposomes and provided a methodology to quantify the number of nanoparticles inside each liposome by fluorescence correlation spectroscopy

  9. Technology for microbial synthesis of nanoparticles

    International Nuclear Information System (INIS)

    Hunyadi, M.; Gacsi, Z.; Szuecs, Z.; Csik, A.; Prokisch, J.

    2009-01-01

    nanoparticles were successfully synthesized by non-pathogenic Lactobacillus strains. Batch cultures were incubated at 37 degC in MRS nutrient medium supplemented with 0.5 mM Se(IV) solution. Selenite oxyanions functioned as terminal electron acceptors in anaerobic respiration, which lead to the formation of elemental Se(0) nanospheres with a diameter of 150-250 nm as measured in SEM images (Fig. 1). The elemental analysis of the observed nanospheres was also performed, which is shown in Fig. 2.

  10. Absorption properties of metal-semiconductor hybrid nanoparticles.

    Science.gov (United States)

    Shaviv, Ehud; Schubert, Olaf; Alves-Santos, Marcelo; Goldoni, Guido; Di Felice, Rosa; Vallée, Fabrice; Del Fatti, Natalia; Banin, Uri; Sönnichsen, Carsten

    2011-06-28

    The optical response of hybrid metal-semiconductor nanoparticles exhibits different behaviors due to the proximity between the disparate materials. For some hybrid systems, such as CdS-Au matchstick-shaped hybrids, the particles essentially retain the optical properties of their original components, with minor changes. Other systems, such as CdSe-Au dumbbell-shaped nanoparticles, exhibit significant change in the optical properties due to strong coupling between the two materials. Here, we study the absorption of these hybrids by comparing experimental results with simulations using the discrete dipole approximation method (DDA) employing dielectric functions of the bare components as inputs. For CdS-Au nanoparticles, the DDA simulation provides insights on the gold tip shape and its interface with the semiconductor, information that is difficult to acquire by experimental means alone. Furthermore, the qualitative agreement between DDA simulations and experimental data for CdS-Au implies that most effects influencing the absorption of this hybrid system are well described by local dielectric functions obtained separately for bare gold and CdS nanoparticles. For dumbbell shaped CdSe-Au, we find a shortcoming of the electrodynamic model, as it does not predict the "washing out" of the optical features of the semiconductor and the metal observed experimentally. The difference between experiment and theory is ascribed to strong interaction of the metal and semiconductor excitations, which spectrally overlap in the CdSe case. The present study exemplifies the employment of theoretical approaches used to describe the optical properties of semiconductors and metal nanoparticles, to achieve better understanding of the behavior of metal-semiconductor hybrid nanoparticles.

  11. The determination of Se content in Se egg by NAA in MNSR

    International Nuclear Information System (INIS)

    Wang Ke; Hou Xiaolin

    1994-01-01

    The selenium contents in the yolk, albumin and shell of the egg which was laid by layer hen fed with various Se concentrations are determined by thermal neutron activation analysis with a nuclear reaction 78 Se(n, γ) 77 Se m on the miniature neutron source reactor (MNSR). The results show that the more the selenium added to the feed, the higher the Se content in the egg and that in the egg constituents, the highest Se content is in the egg yolk and the lowest in the egg albumin

  12. Gas Phase Nanoparticle Synthesis

    Science.gov (United States)

    Granqvist, Claes; Kish, Laszlo; Marlow, William

    This book deals with gas-phase nanoparticle synthesis and is intended for researchers and research students in nanomaterials science and engineering, condensed matter physics and chemistry, and aerosol science. Gas-phase nanoparticle synthesis is instrumental to nanotechnology - a field in current focus that raises hopes for environmentally benign, resource-lean manufacturing. Nanoparticles can be produced by many physical, chemical, and even biological routes. Gas-phase synthesis is particularly interesting since one can achieve accurate manufacturing control and hence industrial viability.

  13. Resonant halide perovskite nanoparticles

    Science.gov (United States)

    Tiguntseva, Ekaterina Y.; Ishteev, Arthur R.; Komissarenko, Filipp E.; Zuev, Dmitry A.; Ushakova, Elena V.; Milichko, Valentin A.; Nesterov-Mueller, Alexander; Makarov, Sergey V.; Zakhidov, Anvar A.

    2017-09-01

    The hybrid halide perovskites is a prospective material for fabrication of cost-effective optical devices. Unique perovskites properties are used for solar cells and different photonic applications. Recently, perovskite-based nanophotonics has emerged. Here, we consider perovskite like a high-refractive index dielectric material, which can be considered to be a basis for nanoparticles fabrication with Mie resonances. As a result, we fabricate and study resonant perovskite nanoparticles with different sizes. We reveal, that spherical nanoparticles show enhanced photoluminescence signal. The achieved results lay a cornerstone in the field of novel types of organic-inorganic nanophotonics devices with optical properties improved by Mie resonances.

  14. Assembling RNA Nanoparticles.

    Science.gov (United States)

    Xiao, Shou-Jun

    2017-01-01

    RNA nanoparticles are designed and self-assembled according to noncanonical interactions of naturally conserved RNA motifs and/or canonical Watson-Crick base-pairing interactions, which have potential applications in gene therapy and nanomedicine. These artificially engineered nanoparticles are mainly synthesized from in vitro transcribed RNAs, purified by denaturing and native polyacrylamide gel electrophoresis (PAGE), and characterized with native PAGE, AFM, and TEM technologies. The protocols of in vitro transcription, denaturing and native PAGE, and RNA nanoparticle self-assembly are described in detail.

  15. The effect of thermal cycling on tetragonal to monoclinic transformation in ZrO2(2%Y2O3) ceramic studied by high temperature X-ray diffraction

    International Nuclear Information System (INIS)

    Zhu, W.Z.; Lei, T.C.; Zhou, Y.

    1993-01-01

    It has been established that brittleness and reliability of ceramics can be improved by a stress-triggered tetragonal (T) to monoclinic (M) transformation in zirconia termed transformation toughening. The T → M transformation is not only influenced by such intrinsic factors as the variety and amount of stabilizers, grain size and morphology of T phase, but can be affected by the cooling rate as well. A previous study by Tsubadin, using a dilation experiment to determine the effect of thermal cycling on the T → M transformation in partially stabilized zirconia suggested that sintering temperature determined the role of thermal cycling, while the underlying cause still remains ambiguous. The intent of the present paper is to reinvestigate the effect of thermal cycling on the T → M transition in a hot pressed ZrO 2 (2%y 2 O 3 ) ceramic, using a high temperature x-ray diffractometer, and rationalize the experimental results from the viewpoint of thermodynamics

  16. In pursuit of the rhabdophane crystal structure: from the hydrated monoclinic LnPO{sub 4}.0.667H{sub 2}O to the hexagonal LnPO{sub 4} (Ln = Nd, Sm, Gd, Eu and Dy)

    Energy Technology Data Exchange (ETDEWEB)

    Mesbah, Adel, E-mail: adel.mesbah@cea.fr [ICSM, UMR 5257 CNRS – CEA – ENSCM – Université de Montpellier, Site de Marcoule - Bât 426, BP 17171, 30207 Bagnols/Cèze (France); Clavier, Nicolas [ICSM, UMR 5257 CNRS – CEA – ENSCM – Université de Montpellier, Site de Marcoule - Bât 426, BP 17171, 30207 Bagnols/Cèze (France); Elkaim, Erik [Synchrotron SOLEIL, L' Orme des Merisiers, Saint-Aubin, BP 48, 91192 Gif-sur-Yvette Cedex (France); Szenknect, Stéphanie; Dacheux, Nicolas [ICSM, UMR 5257 CNRS – CEA – ENSCM – Université de Montpellier, Site de Marcoule - Bât 426, BP 17171, 30207 Bagnols/Cèze (France)

    2017-05-15

    The dehydration process of the hydrated rhabdophane LnPO{sub 4}.0.667H{sub 2}O (Ln = La to Dy) was thoroughly studied over the combination of in situ high resolution synchrotron powder diffraction and TGA experiments. In the case of SmPO{sub 4}.0.667H{sub 2}O (monoclinic, C2), a first dehydration step was identified around 80 °C leading to the formation of SmPO{sub 4}.0.5H{sub 2}O (Monoclinic, C2) with Z =12 and a =17.6264(1) Å, b =6.9704(1) Å, c =12.1141(1) Å, β=133.74(1) °, V =1075.33(1) Å{sup 3}. In agreement with the TGA and dilatometry experiments, all the water molecules were evacuated above 220 °C yielding to the anhydrous form, which crystallizes in the hexagonal P3{sub 1}21 space group with a =7.0389(1) Å, c =6.3702(1) Å and V =273.34(1) Å{sup 3}. This study was extended to selected LnPO{sub 4}.0.667H{sub 2}O samples (Ln= Nd, Gd, Eu, Dy) and the obtained results confirmed the existence of two dehydration steps before the stabilization of the anhydrous form, with the transitory formation of LnPO{sub 4}.0.5H{sub 2}O. - Graphical abstract: The dehydration process of the rhabdophane SmPO{sub 4}.0.667H{sub 2}O was studied over combination of in situ high resolution synchrotron powder diffraction and TGA techniques, a first dehydration was identified around 80 °C leading to the formation of SmPO{sub 4}.0.5H{sub 2}O (Monoclinic, C2). Then above 220 °C, the anhydrous form of the rhabdophane SmPO{sub 4} was stabilized and crystallizes in the hexagonal P3{sub 1}21 space group. - Highlights: • In situ synchrotron powder diffraction was carried out during the dehydration of the rhabdopahe LnPO{sub 4}.0.667H{sub 2}O. • The heat of the rhabdophane LnPO{sub 4}.0.667H{sub 2}O leads to LnPO{sub 4}.0.5H{sub 2}O then to anhydrous rhabdophane LnPO{sub 4}. • LnPO{sub 4}.0.5H{sub 2}O (monoclinic, C2) and LnPO{sub 4} (Hexagonal, P3{sub 1}21) were solved over the use of direct methods.

  17. A second monoclinic polymorph of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-hy­droxy­imino-N′-[1-(pyridin-2-yl)ethyl­idene]acetohydrazide

    Science.gov (United States)

    Plutenko, Maxym O.; Lampeka, Rostislav D.; Haukka, Matti; Nordlander, Ebbe

    2013-01-01

    The title compound, C14H16N6O2, is a second monoclinic polymorph of 2-[1-(3,5-dimeth­yl)pyrazol­yl]-2-hy­droxy­imino-N′-[1-(2-pyrid­yl)ethyl­idene] acetohydrazide, with two crystallographically independent mol­ecules per asymmetric unit. The non-planar mol­ecules are chemically equal having similar geometric parameters. The previously reported polymorph [Plutenko et al. (2012 ▶). Acta Cryst. E68, o3281] was described in space group Cc (Z = 4). The oxime group and the O atom of the amide group are anti with respect to the C—C bond. In the crystal, mol­ecules are connected by N—H⋯N hydrogen bonds into zigzag chains extending along the b axis. PMID:23723911

  18. Thermoelectric transport of Se-rich Ag2Se in normal phases and phase transitions

    International Nuclear Information System (INIS)

    Mi, Wenlong; Lv, Yanhong; Qiu, Pengfei; Shi, Xun; Chen, Lidong; Zhang, Tiansong

    2014-01-01

    Small amount of Se atoms are used to tune the carrier concentrations (n H ) and electrical transport in Ag 2 Se. Significant enhancements in power factor and thermoelectric figure of merit (zT) are observed in the compositions of Ag 2 Se 1.06 and Ag 2 Se 1.08 . The excessive Se atoms do not change the intrinsically electron-conducting character in Ag 2 Se. The detailed analysis reveals the experiment optimum carrier concentration in Ag 2 Se is around 5 × 10 18  cm −3 . We also investigate the temperature of maximum zT and the thermoelectric transport during the first order phase transitions using the recently developed measurement system

  19. Measurement of 76Se and 78Se (γ, n) cross sections

    International Nuclear Information System (INIS)

    Kitatani, Fumito; Harada, Hideo; Goko, Shinji; Utsunomiya, Hiroaki; Akimune, Hidetoshi; Toyokawa, Hiroyuki; Yamada, Kawakatsu

    2011-01-01

    The (γ, n) cross sections of Se isotopes ( 76 Se, 78 Se) were measured to supply fundamental data for estimating the inverse reaction cross section, i.e., the 79 Se(n, γ) 80 Se cross section. The enriched samples and a reference 197 Au sample were irradiated with laser-Compton scattering (LCS) γ-rays. The excitation function of each (γ, n) cross section was determined for the energy range from each near neutron separation energy to the threshold energy of (γ, 2n) reaction. The energy point corresponding to each cross section was deduced using the accurately determined energy distribution of LCS γ-rays. Systematic (γ, n) cross sections for Se isotopes including 80 Se were compared with those calculated by using a statistical model calculation code TALYS. (author)

  20. Extracellular Polymeric Substances Govern the Surface Charge of Biogenic Elemental Selenium Nanoparticles

    KAUST Repository

    Jain, Rohan

    2015-02-03

    © 2014 American Chemical Society. The origin of the organic layer covering colloidal biogenic elemental selenium nanoparticles (BioSeNPs) is not known, particularly in the case when they are synthesized by complex microbial communities. This study investigated the presence of extracellular polymeric substances (EPS) on BioSeNPs. The role of EPS in capping the extracellularly available BioSeNPs was also examined. Fourier transform infrared (FT-IR) spectroscopy and colorimetric measurements confirmed the presence of functional groups characteristic of proteins and carbohydrates on the BioSeNPs, suggesting the presence of EPS. Chemical synthesis of elemental selenium nanoparticles in the presence of EPS, extracted from selenite fed anaerobic granular sludge, yielded stable colloidal spherical selenium nanoparticles. Furthermore, extracted EPS, BioSeNPs, and chemically synthesized EPS-capped selenium nanoparticles had similar surface properties, as shown by ζ-potential versus pH profiles and isoelectric point measurements. This study shows that the EPS of anaerobic granular sludge form the organic layer present on the BioSeNPs synthesized by these granules. The EPS also govern the surface charge of these BioSeNPs, thereby contributing to their colloidal properties, hence affecting their fate in the environment and the efficiency of bioremediation technologies.

  1. Bi2Se3/CdS/TiO2 hybrid photoelectrode and its band-edge levels

    International Nuclear Information System (INIS)

    Zhang, Qi; Su, Jun; Zhang, Xianghui; Li, Jian; Zhang, Aiqing; Gao, Yihua

    2012-01-01

    Highlights: ► CVD synthesis of Bi 2 Se 3 nanoparticles. ► Bi 2 Se 3 and CdS co-sensitized TiO 2 nanorod arrays electrode was assembled by CVD. ► Direct physical contact heterojunctions were formed at the interfaces of electrode. ► Cascade structure of band-edge levels was formed in Bi 2 Se 3 /CdS/TiO 2 electrode. - Abstract: Bismuth selenide (Bi 2 Se 3 ) was chosen as the sensitizer to TiO 2 nanorod (NR) arrays photoelectrode to harvest infrared (IR) light for its narrow band gap. For utilizing more amount of IR solar energy, Bi 2 Se 3 nanoparticles (NPs) were grown up to a relative larger grain size. And, a cadmium sulfide (CdS) NPs intermediate layer was introduced to help, to coordinate, the structure of band-edge levels in Bi 2 Se 3 /CdS/TiO 2 electrode. Here, a chemical vapor deposition (CVD) strategy was introduced to assemble this kind of composite photoelectrode. And a cascade structure of band-edge levels constructed in it when achieving electrostatic equilibrium in Na 2 S/Na 2 SO 3 aqueous solution electrolyte revealed by electrochemical analysis method, which will facilitate the hydrogen generation.

  2. Monoclinic Cc-phase stabilization in magnetically diluted lead free Na1/2Bi1/2TiO3—Evolution of spin glass like behavior with enhanced ferroelectric and dielectric properties

    Science.gov (United States)

    Thangavelu, Karthik; Asthana, Saket

    2015-09-01

    The effect of magnetic cation substitution on the phase stabilization, ferroelectric, dielectric and magnetic properties of a lead free Na0.5Bi0.5TiO3 (NBT) system prepared by O2 atmosphere solid state sintering were studied extensively. Cobalt (Co) was chosen as the magnetic cation to substitute at the Ti-site of NBT with optimized 2.5 mol%. Rietveld analysis of x-ray diffraction data favours the monoclinic Cc phase stabilization strongly rather than the parent R3c phase. FE-SEM micrograph supports the single phase characteristics without phase segregation at the grain boundaries. The stabilized Cc space group was explained based on the collective local distortion effects due to spin-orbit stabilization at Co3+ and Co2+ functional centres. The phonon mode changes as observed in the TiO6 octahedral modes also support the Cc phase stabilization. The major Co3+-ion presence was revealed from corresponding crystal field transitions observed through solid state diffuse reflectance spectroscopy. The enhanced spontaneous polarization (Ps) from ≅38 μC cm-2 to 45 μC cm-2 could be due to the easy rotation of polarization vector along the {(1\\bar{1}0)}{{pc}} in Cc phase. An increase in static dielectric response (ɛ) from ɛ ≅ 42 to 60 along with enhanced diffusivity from γ ≅ 1.53 to 1.75 was observed. Magneto-thermal irreversibility and their magnetic field dependent ZFC/FC curves suggest the possibility of a spin glass like behaviour below 50 K. The monoclinic Cc phase stabilization as confirmed from structural studies was well correlated with the observed ferroic properties in magnetically diluted NBT.

  3. Hopping conduction in gamma-irradiated InSe and InSe:Sn single crystals

    International Nuclear Information System (INIS)

    MUSTAFAEVA, S.N.; ISMAILOV, A.A.; ASADOV, M.M.

    2010-01-01

    Full text : The semiconductive InSe layer compound is characterized by a strong covalent bond inside the layers and a weak Van der Waals bonding between them. It was shown that across the layers of InSe single crystals at low temperatures (T ≤ 200 K) at direct current (dc) hopping conduction through localized states near the Fermi level takes place. The results of dc-conductivity of gamma-irradiated p-InSe and n-InSe : Sn layer single crystals have been presented in this work. ρ-InSe single crystal specimens grown by the Bridgman method were used in the experiments. Plates of the crystals under study were obtained by cleaving along the layers of single crystal ingots. The single-crystal InSe samples for electric measurements had the form of planar capacitors normal to the C axis of the crystals, with silver-paste electrodes. The thickness of the InSe samples was 300 mkm. Co 60 serves as the source of irradiation with energy of gamma-quantum equal to 1.3 MeV. The electric properties of non-irradiated and gamma-irradiated InSe crystals were measured under the same conditions. It is revealed that InSe and InSe : Sn (0.2 and 0.4 mole percent Sn) single crystals exhibit a variable range hopping conduction along a normal to their natural layers at temperatures T≤200 K in a dc electric field. From experimental data the parameters of localized states of p-InSe and n-InSe : Sn were calculated before and after gamma-irradiation. It is revealed that gamma-irradiation of p-InSe and n-InSe : Sn (0.2 and 0.4 mole percent Sn) single crystals leads to significant change of localized states parameters. After gamma-irradiation the density of states near the Fermi level increased, but their energy spread and the average jump distance decreased. The concentrations of radiated defects were estimated in p-InSe (5.18*10 1 7 sm - 3) and n-InSe : Sn (2.5*10 1 7 - 2.7*10 1 8 sm - 3) single crystals. The present results demonstrate that gamma-irradiation offers the possibility of tuning

  4. ¿ Como se hace una Telenovela ?

    Directory of Open Access Journals (Sweden)

    Iván Gavaldón

    2015-01-01

    Full Text Available La autora relata la historia de las Relaciones Públicas y dice que surgieron y se desarrollaron para legitimar ante el público los intereses económicos y políticos de quienes detentan el poder. Se cuestiona sobre el por qué no aplicar las relaciones públicas, en organizaciones populares, para que mejoren su publicación y orienten sus propósitos de desarrollo. El tema que aborda las Políticas culturales en América Latina acopia un extracto de lo más trascendente de los ensayos del libro editado por Néstor García Canclini. Sobre la telenovela se afirma que esta ha llegado a ser uno de los instrumentos más importantes de la comunicación popular: por ella desfilan las identidades de las más variadas culturas brasileñas. Y en cuanto a la caricatura se relata lo que ocurrió en el Seminario taller " Caricatura y Periodismo", realizado el(9-11 de Nov.- 1987 en el CIESPAL. El estudio sobre el mercado del vídeo se ve dificultado por la imprecisión de los datos obtenidos. Los datos oficiales no siempre se aproximan a la realidad, pues el mercado de vídeo se instauró en América Latina partiendo de una lógica totalmente diversa de los equipos de sonido e imagen.

  5. Phase controlled solvothermal synthesis of Cu{sub 2}ZnSnS{sub 4}, Cu{sub 2}ZnSn(S,Se){sub 4} and Cu{sub 2}ZnSnSe{sub 4} Nanocrystals: The effect of Se and S sources on phase purity

    Energy Technology Data Exchange (ETDEWEB)

    Pal, Mou [Instituto de Energías Renovables, Universidad Nacional Autónoma de México, 62580 Temixco, Morelos (Mexico); Instituto de Física, BUAP, Av. San Claudio y Blvd. 18 Sur Col. San Manuel, Ciudad Universitaria, C.P. 72570, Puebla (Mexico); Mathews, N.R. [Instituto de Energías Renovables, Universidad Nacional Autónoma de México, 62580 Temixco, Morelos (Mexico); Paraguay-Delgado, F. [Departamento de Materiales Nanoestructurados, Centro de Investigación en Materiales Avanzados (CIMAV), Chihuahua (Mexico); Mathew, X., E-mail: xm@ier.unam.mx [Instituto de Energías Renovables, Universidad Nacional Autónoma de México, 62580 Temixco, Morelos (Mexico)

    2015-09-15

    In this study, we have reported the synthesis of Cu{sub 2}ZnSnSe{sub 4} (CZTSe), Cu{sub 2}ZnSnS{sub 4} (CZTS) and Cu{sub 2}ZnSn(S,Se){sub 4} (CZTSSe) nanocrystals with tunable band gap and composition obtained by solvothermal method. The crystalline structure, composition, morphology and optical properties of the nanoparticles were characterized by X-ray diffraction (XRD), Raman scattering, energy dispersive X-ray spectroscopy, transmission electron microscopy and diffuse reflectance (DR) spectroscopy. While the XRD patterns of CZTS and CZTSe nanoparticles prepared with elemental S/Se powder revealed the presence of phase pure nanoparticles, the CZTSSe nanoparticles obtained using a mixture of S and Se, were found to contain many secondary phases under the same synthesis protocol. Formation of impurity phases in CZTSSe sample, can be avoided by using a mixture of 1-dodecanethiol (DT; CH{sub 3}(CH{sub 2}){sub 11}SH)/oleylamine (OLA) instead of S powder and following the same experimental procedure. The incorporation of S in CZTSe nanocrystals prepared in presence of DDT/OLA mixture was confirmed through structural and optical characterizations. The optical properties of the quaternary chalcogenide nanocrystals were found to vary with the chemical composition of the material. - Highlights: • Solvothermal synthesis of CZTS, CZTSSe and CZTSe nanocrystals and discussion on possible formation mechanism. • Use of dodecanethiol/oleylamine mixture to synthesize phase-pure CZTSSe nanocrystals. • Formation of impurity phases can be controlled with proper S and Se sources.

  6. Functionalized diamond nanoparticles

    KAUST Repository

    Beaujuge, Pierre M.; El Tall, Omar; Raja, Inam U.

    2014-01-01

    A diamond nanoparticle can be functionalized with a substituted dienophile under ambient conditions, and in the absence of catalysts or additional reagents. The functionalization is thought to proceed through an addition reaction.

  7. Functionalized diamond nanoparticles

    KAUST Repository

    Beaujuge, Pierre M.

    2014-10-21

    A diamond nanoparticle can be functionalized with a substituted dienophile under ambient conditions, and in the absence of catalysts or additional reagents. The functionalization is thought to proceed through an addition reaction.

  8. Supercooled smectic nanoparticles

    DEFF Research Database (Denmark)

    Kuntsche, Judith; Koch, Michel H J; Fahr, Alfred

    2009-01-01

    Cholesteryl nonanoate (CN), myristate (CM), palmitate (CP) and oleate (CO) alone or in combination were evaluated as matrix lipids for the preparation of supercooled smectic nanoparticles with a high stability against recrystallization during storage. The phase behavior of the cholesterol esters......, laser diffraction combined with polarizing intensity differential scattering, DSC and SAXS. The morphology of selected formulations was studied by freeze-fracture electron microscopy. All smectic nanoparticles with a mixed cholesterol ester matrix were stable against recrystallization when stored...... at room temperature. Nanoparticles with a pure CN and mixed CM/CN matrix with a high fraction of CN (60% of the whole lipid matrix) could even be stored at 4 degrees C for at least 18 months without any recrystallization. As smectic nanoparticles are studied especially with regard to parenteral...

  9. Repairing Nanoparticle Surface Defects

    NARCIS (Netherlands)

    Marino, Emanuele; Kodger, Thomas E.; Crisp, R.W.; Timmerman, Dolf; MacArthur, Katherine E.; Heggen, Marc; Schall, Peter

    2017-01-01

    Solar devices based on semiconductor nanoparticles require the use of conductive ligands; however, replacing the native, insulating ligands with conductive metal chalcogenide complexes introduces structural defects within the crystalline nanostructure that act as traps for charge carriers. We

  10. Metallic Magnetic Nanoparticles

    Directory of Open Access Journals (Sweden)

    A. Hernando

    2005-01-01

    Full Text Available In this paper, we reviewed some relevant aspects of the magnetic properties of metallic nanoparticles with small size (below 4 nm, covering the size effects in nanoparticles of magnetic materials, as well as the appearance of magnetism at the nanoscale in materials that are nonferromagnetic in bulk. These results are distributed along the text that has been organized around three important items: fundamental magnetic properties, different fabrication procedures, and characterization techniques. A general introduction and some experimental results recently obtained in Pd and Au nanoparticles have also been included. Finally, the more promising applications of magnetic nanoparticles in biomedicine are indicated. Special care was taken to complete the literature available on the subject.

  11. One-dimensional zinc selenophosphates: A{sub 2}ZnP{sub 2}Se{sub 6} (A = K, Rb, Cs)

    Energy Technology Data Exchange (ETDEWEB)

    Haynes, Alyssa S.; Lee, Katherine; Kanatzidis, Mercouri G. [Department of Chemistry, Northwestern University, Evanston, IL (United States)

    2016-09-15

    The new compounds A{sub 2}ZnP{sub 2}Se{sub 6} (A = K, Rb, Cs) were synthesized via molten salt flux syntheses. The crystals feature one-dimensional {sup 1}/{sub ∞}[ZnP{sub 2}Se{sub 6}]{sup 2-} chains charge balanced by alkali metal ions between the chains. K{sub 2}ZnP{sub 2}Se{sub 6} crystallizes in the monoclinic space group P2{sub 1}/c; cell parameters a = 12.537(3) Aa, b = 7.2742(14) Aa, c = 14.164(3) Aa, β = 109.63(3) , Z = 4, and V = 1216.7(4) Aa{sup 3}. Rb{sub 2}ZnP{sub 2}Se{sub 6} and Cs{sub 2}ZnP{sub 2}Se{sub 6} are isotypic, crystallizing in the triclinic space group P anti 1. Rb{sub 2}ZnP{sub 2}Se{sub 6} has cell parameters of a = 7.4944(15) Aa, b = 7.6013(15) Aa, c = 12.729(3) Aa, α = 96.57(3) , β = 105.52(3) , γ = 110.54(3) , Z = 2, and V = 636.6(2) Aa{sup 3}. Cs{sub 2}ZnP{sub 2}Se{sub 6} has cell parameters of a = 7.6543(6) Aa, b = 7.7006(6) Aa, c = 12.7373(11) Aa, α = 97.007(7) , β = 104.335(7) , γ = 109.241(6) , Z = 2, and V = 669.54(10) Aa{sup 3}. (Copyright copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  12. A transferable force field for CdS-CdSe-PbS-PbSe solid systems

    Science.gov (United States)

    Fan, Zhaochuan; Koster, Rik S.; Wang, Shuaiwei; Fang, Changming; Yalcin, Anil O.; Tichelaar, Frans D.; Zandbergen, Henny W.; van Huis, Marijn A.; Vlugt, Thijs J. H.

    2014-12-01

    A transferable force field for the PbSe-CdSe solid system using the partially charged rigid ion model has been successfully developed and was used to study the cation exchange in PbSe-CdSe heteronanocrystals [A. O. Yalcin et al., "Atomic resolution monitoring of cation exchange in CdSe-PbSe heteronanocrystals during epitaxial solid-solid-vapor growth," Nano Lett. 14, 3661-3667 (2014)]. In this work, we extend this force field by including another two important binary semiconductors, PbS and CdS, and provide detailed information on the validation of this force field. The parameterization combines Bader charge analysis, empirical fitting, and ab initio energy surface fitting. When compared with experimental data and density functional theory calculations, it is shown that a wide range of physical properties of bulk PbS, PbSe, CdS, CdSe, and their mixed phases can be accurately reproduced using this force field. The choice of functional forms and parameterization strategy is demonstrated to be rational and effective. This transferable force field can be used in various studies on II-VI and IV-VI semiconductor materials consisting of CdS, CdSe, PbS, and PbSe. Here, we demonstrate the applicability of the force field model by molecular dynamics simulations whereby transformations are initiated by cation exchange.

  13. A transferable force field for CdS-CdSe-PbS-PbSe solid systems

    Energy Technology Data Exchange (ETDEWEB)

    Fan, Zhaochuan; Vlugt, Thijs J. H., E-mail: t.j.h.vlugt@tudelft.nl [Process and Energy Department, Delft University of Technology, Leeghwaterstraat 39, 2628 CB Delft,The Netherlands (Netherlands); Koster, Rik S.; Fang, Changming; Huis, Marijn A. van [Debye Institute for Nanomaterials Science and Center for Extreme Matter and Emergent Phenomena, Utrecht University, Princetonplein 5, 3584 CC Utrecht (Netherlands); Wang, Shuaiwei [Institute of Nanostructured Functional Materials, Huanghe Science and Technology College, Zhengzhou, Henan 450006 (China); Yalcin, Anil O.; Tichelaar, Frans D.; Zandbergen, Henny W. [Kavli Institute of Nanoscience, Delft University of Technology, Lorentzweg 1, 2628 CJ Delft (Netherlands)

    2014-12-28

    A transferable force field for the PbSe-CdSe solid system using the partially charged rigid ion model has been successfully developed and was used to study the cation exchange in PbSe-CdSe heteronanocrystals [A. O. Yalcin et al., “Atomic resolution monitoring of cation exchange in CdSe-PbSe heteronanocrystals during epitaxial solid-solid-vapor growth,” Nano Lett. 14, 3661–3667 (2014)]. In this work, we extend this force field by including another two important binary semiconductors, PbS and CdS, and provide detailed information on the validation of this force field. The parameterization combines Bader charge analysis, empirical fitting, and ab initio energy surface fitting. When compared with experimental data and density functional theory calculations, it is shown that a wide range of physical properties of bulk PbS, PbSe, CdS, CdSe, and their mixed phases can be accurately reproduced using this force field. The choice of functional forms and parameterization strategy is demonstrated to be rational and effective. This transferable force field can be used in various studies on II-VI and IV-VI semiconductor materials consisting of CdS, CdSe, PbS, and PbSe. Here, we demonstrate the applicability of the force field model by molecular dynamics simulations whereby transformations are initiated by cation exchange.

  14. Synthesis, Characterization, and Catalytic Performance of Sb2Se3 Nanorods

    Directory of Open Access Journals (Sweden)

    Ning Hu

    2017-01-01

    Full Text Available Antimony selenide has many potential applications in thermoelectric, photovoltaic, and phase-change memory devices. A novel method is described for the rapid and scalable preparation of antimony selenide (Sb2Se3 nanorods in the presence of hydrazine hydrate and/or permanganate at 40°C. Crystalline nanorods are obtained by the addition of hydrazine hydrate in a reaction mixture of antimony acetate and/or chloride and sodium selenite in neutral and basic media, while amorphous nanoparticles are formed by the addition of KMnO4 in a reaction mixture of antimony acetate/chloride and sodium selenite. The powder X-ray diffraction pattern confirms orthorhombic phase crystalline Sb2Se3 for the first and second reactions with lattice parameters a=1.120 nm, b=1.128 nm, and c=0.383 nm and amorphous Sb2Se3 for the third reaction. Scanning electron microscopy (SEM, transmission electron microscopy (TEM, and high-resolution TEM (HRTEM images show the diameter of nanorods for the first and second reactions to be in the order of 100 nm to 150 nm and about 20 nm particles for the third reaction. EDX and XPS suggest that the nanorods are pure Sb2Se3. The UV-vis analysis indicates a band gap of 4.14 and 4.97 eV for the crystalline and amorphous Sb2Se3, respectively, corresponding to a blue shift. The photocatalytic study shows that the decolorization of Rhodamine in solution by nanoparticles is slightly greater than nanorods.

  15. Cryochemistry of Metal Nanoparticles

    International Nuclear Information System (INIS)

    Sergeev, Gleb B.

    2003-01-01

    The interaction of metal atoms, clusters and nanoparticles with different organic and inorganic substances were studied at low temperature (10-40K). Combination of matrix isolation technique and preparative cryochemistry was applied for the investigation of activity and selectivity of metal particles of different size. Encapsulation of metal nanoparticles in polymers was studied. The metal-polymer films thus obtained exhibited satisfactory sensitivity to ammonia

  16. Cryochemistry of Metal Nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Sergeev, Gleb B. [Moscow State University, Laboratory of Low Temperature Chemistry, Chemistry Department (Russian Federation)], E-mail: gbs@kinet.chem.msu.ru

    2003-12-15

    The interaction of metal atoms, clusters and nanoparticles with different organic and inorganic substances were studied at low temperature (10-40K). Combination of matrix isolation technique and preparative cryochemistry was applied for the investigation of activity and selectivity of metal particles of different size. Encapsulation of metal nanoparticles in polymers was studied. The metal-polymer films thus obtained exhibited satisfactory sensitivity to ammonia.

  17. Cryochemistry of Metal Nanoparticles

    Science.gov (United States)

    Sergeev, Gleb B.

    2003-12-01

    The interaction of metal atoms, clusters and nanoparticles with different organic and inorganic substances were studied at low temperature (10-40K). Combination of matrix isolation technique and preparative cryochemistry was applied for the investigation of activity and selectivity of metal particles of different size. Encapsulation of metal nanoparticles in polymers was studied. The metal-polymer films thus obtained exhibited satisfactory sensitivity to ammonia.

  18. Biomimetic magnetic nanoparticles

    OpenAIRE

    Klem, Michael T.; Young, Mark; Douglas, Trevor

    2005-01-01

    Magnetic nanoparticles are of considerable interest because of their potential use in high-density memory devices, spintronics, and applications in diagnostic medicine. The conditions for synthesis of these materials are often complicated by their high reaction temperatures, costly reagents, and post-processing requirements. Practical applications of magnetic nanoparticles will require the development of alternate synthetic strategies that can overcome these impediments. Biomimetic approaches...

  19. Lattice thermal conductivity of LaSe

    Energy Technology Data Exchange (ETDEWEB)

    Li, Wei, E-mail: tolwwt@163.com [School of Physics and Telecommunication Engineering, South China Normal University, 510006 Guangzhou (China); Pan, Zhong-liang; Chen, Jun-fang; He, Qin-yu [School of Physics and Telecommunication Engineering, South China Normal University, 510006 Guangzhou (China); Wang, Teng [School of Computer, South China Normal University, 510631 Guangzhou (China)

    2015-07-15

    The phonon dispersions and phonon density of states of LaSe are obtained, based on density functional perturbation theory and the norm-conserving pseudo-potential method. An anomaly in calculated phonon dispersion curves is presented and interpreted as a Kohn anomaly. The heat capacity of LaSe is calculated then. For the three-phonon process scattering, the lowest non-harmonic cubic terms of the interatomic potential are considered to obtain single-phonon relaxation rate by applying the Fermi's golden rule. For the boundary scattering, the average phonon relaxation time was obtained. Considering two kinds of phonon scattering mechanisms, we obtain the lattice thermal conductivity of LaSe.

  20. Improved photoluminescence quantum yield and stability of CdSe-TOP, CdSe-ODA-TOPO, CdSe/CdS and CdSe/EP nanocomposites

    Science.gov (United States)

    Wei, Shutian; Zhu, Zhilin; Wang, Zhixiao; Wei, Gugangfen; Wang, Pingjian; Li, Hai; Hua, Zhen; Lin, Zhonghai

    2016-07-01

    Size-controllable monodisperse CdSe nanocrystals with different organic capping were prepared based on the hot-injection method. The effective separation of nucleation and growth was achieved by rapidly mixing two highly reactive precursors. As a contrast, we prepared CdSe/CdS nanocrystals (NCs) successfully based on the selective ion layer adsorption and reaction (SILAR) technique. This inorganic capping obtained higher photoluminescence quantum yield (PLQY) of 59.3% compared with organic capping of 40.8%. Furthermore, the CdSe-epoxy resin (EP) composites were prepared by adopting a flexible ex situ method, and showed excellent stability in the ambient environment for one year. So the composites with both high PLQY of nanocrystals and excellent stability are very promising to device application.

  1. Nanolubricant: magnetic nanoparticle based

    Science.gov (United States)

    Trivedi, Kinjal; Parekh, Kinnari; Upadhyay, Ramesh V.

    2017-11-01

    In the present study magnetic nanoparticles of Fe3O4 having average particle diameter, 11.7 nm were synthesized using chemical coprecipitation technique and dispersed in alpha olefin hydrocarbon synthetic lubricating oil. The solid weight fraction of magnetic nanoparticles in the lubricating oil was varied from 0 wt% to 10 wt%. The tribological properties were studied using four-ball tester. The results demonstrate that the coefficient of friction and wear scar diameter reduces by 45% and 30%, respectively at an optimal value, i.e. 4 wt% of magnetic nanoparticles concentration. The surface characterization of worn surface was carried out using a scanning electron microscope, and energy dispersive spectroscopy. These results implied that rolling mechanism is responsible to reduce coefficient of friction while magnetic nanoparticles act as the spacer between the asperities and reduces the wear scar diameter. The surface roughness of the worn surface studied using an atomic force microscope shows a reduction in surface roughness by a factor of four when magnetic nanoparticles are used as an additive. The positive response of magnetic nanoparticles in a lubricating oil, shows the potential replacement of conventional lubricating oil.

  2. Protein trapping of nanoparticles

    International Nuclear Information System (INIS)

    Ang, Joo C.; Lin, Jack M.; Yaron, Peter N.; White, John W.

    2009-01-01

    Full text: We have observed the formation of protein-nanoparticle complexes at the air-water interfaces from three different methods of presenting the nanoparticles to proteins. The structures formed resemble the 'protein-nanoparticle corona' proposed by Lynch et al. [1-3) in relation to a possible route for nanoparticle entry into living cells. To do this, the methods of x-ray and neutron reflectivity (with isotopic contrast variation between the protein and nanoparticles) have been used to study the structures formed at the air-water interface of l 3 - casein presented to silica nanoparticle dispersions. Whilst the silica dispersions showed no observable reflectivity, strong signals appear in the reflectivity when protein is present. Drop-wise spreading of a small amount of protein at the air-silica sol interface and presentation of the silica sol to an isolated monomolecular protein film (made by the 'flow-trough' method [4]) gave an immediate signal. Mixing the components in solution only produces a slow response but in all cases a similar structure is formed. The different responses are interpreted in structural and stoichiometric ways.

  3. Quercetin and gallic acid mediated synthesis of bimetallic (silver and selenium) nanoparticles and their antitumor and antimicrobial potential.

    Science.gov (United States)

    Mittal, Amit Kumar; Kumar, Sanjay; Banerjee, Uttam Chand

    2014-10-01

    In this study a synthetic approach for the stable, mono-dispersed high yielding bimetallic (Ag-Se) nanoparticles by quercetin and gallic acid is described. The bimetallic nanoparticles were synthesized at room temperature. Different reaction parameters (concentration of quercetin, gallic acid and Ag/Se salt, pH, temperature and reaction time) were optimized to control the properties of nanoparticles. The nanoparticles were characterized by various analytical techniques and their size was determined to be 30-35 nm. Our findings suggest that both the reduction as well as stabilization of nanoparticles were achieved by the flavonoids and phenolics. This study describes the efficacy of quercetin and gallic acid mediated synthesis of bimetallic (Ag-Se) nanoparticles and their in vitro antioxidant, antimicrobial (Gram-positive and Gram-negative bacteria) and antitumor potentials. The synthesized Ag-Se nanoparticles were used as anticancer agents for Dalton lymphoma (DL) cells and in in vitro 80% of its viability was reduced at 50 μg/mL. Copyright © 2014 Elsevier Inc. All rights reserved.

  4. Preparation and antioxidant properties of selenium nanoparticles-loaded chitosan microspheres

    Directory of Open Access Journals (Sweden)

    Bai K

    2017-06-01

    Full Text Available Kaikai Bai,1,2 Bihong Hong,1,2 Jianlin He,1,2 Zhuan Hong,1,2 Ran Tan1,2 1Third Institute of Oceanography, 2Engineering Research Center of Marine Biological Resource, Comprehensive Utilization, State Oceanic Administration, Xiamen, People’s Republic of China Abstract: Selenium nanoparticles (SeNPs, as a special form of selenium (Se supplement, have attracted worldwide attention due to their favorable properties and unique bioactivities. Herein, an eco-friendly and economic way to prepare stable SeNPs is introduced. SeNPs were synthesized in aqueous chitosan (CTS and then embedded into CTS microspheres by spray-drying, forming selenium nanoparticles-loaded chitosan microspheres (SeNPs-M. The physicochemical properties including morphology, elemental state, size distribution and surface potential were investigated. Institute of Cancer Research mice were used as model animal to evaluate the bioactivities of SeNPs-M. Trigonal-phase SeNPs of ~35 nm were synthesized, and SeNPs-M physically embedding those SeNPs were successfully prepared. Amazingly, acute toxicity test indicated that SeNPs-M were much safer than selenite in terms of Se dose, with a LD50 of around 18-fold of that of selenite. In addition, SeNPs-M possessed powerful antioxidant activities, as evidenced by a dramatic increase of both Se retention and the levels of glutathione peroxidase, superoxide dismutase and catalase. The design of SeNPs-M can offer a new way for further development of SeNPs with a higher efficacy and better biosafety. Thus, SeNPs-M may be a potential candidate for further evaluation as an Se supplement with antioxidant properties and be used against Se deficiency in animals and human beings. Keywords: selenium, nano, microsphere, chitosan, antioxidant

  5. Luminescence spectra of CdSe/ZnSe double layers of quantum dots

    Energy Technology Data Exchange (ETDEWEB)

    Reznitsky, Alexander; Permogorov, Sergei; Korenev, Vladimir V.; Sedova, Irina; Sorokin, Sergey; Sitnikova, Alla; Ivanov, Sergei [A.F. Ioffe Physico-Technical Institute, Polytekhnicheskaya 26, 194021 St. Petersburg (Russian Federation); Klochikhin, Albert [B.P. Konstantinov Nuclear Physics Institute, St. Petersburg (Russian Federation)

    2009-12-15

    We have studied the emission spectra and structural properties of double CdSe/ZnSe quantum dot (QD) sheet structures grown by molecular beam epitaxy in order to elucidate the mechanisms of the electronic and strain field interaction between the QD planes. The thickness of the ZnSe barrier separating the CdSe sheets was in the range of 10-60 monolayers (ML) in the set of samples studied. We have found that coupling between dots in adjacent layers becomes relatively strong in CdSe/ZnSe double layers structures with 25-27 ML barrier, while it is rather weak when the barrier thickness exceeds 30 ML. (copyright 2009 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  6. Facile synthesis and photo electrochemical performance of SnSe thin films

    Science.gov (United States)

    Pusawale, S. N.; Jadhav, P. S.; Lokhande, C. D.

    2018-05-01

    Orthorhombic structured SnSe thin films are synthesized via SILAR (successive ionic layer adsorption and reaction) method on glass substrates. The structural properties of thin films are characterized by x-ray diffraction, scanning electron microscopy studies from which nanoparticles with an elongated shape and hydrophilic behavior are observed. UV -VIS absorption spectroscopy study showed the maximum absorption in the visible region with a direct band gap of 1.55 eV. The photo electrochemical study showed p-type electrical conductivity.

  7. A new route to produce efficient surface-enhanced Raman spectroscopy substrates: Gold-decorated CdSe nanowires

    KAUST Repository

    Das, Gobind

    2013-04-13

    Surface-enhanced Raman spectroscopy is a popular tool for the detection of extremely small quantities of target molecules. Au nanoparticles have been very successful in this respect due to local enhancement of the light intensity caused by their plasmon resonance. Furthermore, Au nanoparticles are biocompatible, and target substances can be easily attached to their surface. Here, we demonstrate that Au-decorated CdSe nanowires when employed as SERS substrates lead to an enhancement as large as 105 with respect to the flat Au surfaces. In the case of hybrid metal-CdSe nanowires, the Au nucleates preferably on lattice defects at the lateral facets of the nanowires, which leads to a homogeneous distribution of Au nanoparticles on the nanowire, and to an efficient quenching of the nanowire luminescence. Moreover, the size of the Au nanoparticles can be well controlled via the AuCl3 concentration in the fabrication process. We demonstrate the effectiveness of our SERS substrates with two target substances, namely, cresyl-violet and rhodamine-6G. Au-decorated nanowires can be easily fabricated in large quantities at low cost by wet-chemical synthesis. Furthermore, their deposition onto various substrates, as well as the functionalization of these wires with the target substances, is as straightforward as with the traditional markers. © 2013 Springer Science+Business Media Dordrecht.

  8. A new route to produce efficient surface-enhanced Raman spectroscopy substrates: Gold-decorated CdSe nanowires

    KAUST Repository

    Das, Gobind; Chakraborty, Ritun; Gopalakrishnan, Anisha; Baranov, Dmitry; Di Fabrizio, Enzo M.; Krahne, Roman

    2013-01-01

    Surface-enhanced Raman spectroscopy is a popular tool for the detection of extremely small quantities of target molecules. Au nanoparticles have been very successful in this respect due to local enhancement of the light intensity caused by their plasmon resonance. Furthermore, Au nanoparticles are biocompatible, and target substances can be easily attached to their surface. Here, we demonstrate that Au-decorated CdSe nanowires when employed as SERS substrates lead to an enhancement as large as 105 with respect to the flat Au surfaces. In the case of hybrid metal-CdSe nanowires, the Au nucleates preferably on lattice defects at the lateral facets of the nanowires, which leads to a homogeneous distribution of Au nanoparticles on the nanowire, and to an efficient quenching of the nanowire luminescence. Moreover, the size of the Au nanoparticles can be well controlled via the AuCl3 concentration in the fabrication process. We demonstrate the effectiveness of our SERS substrates with two target substances, namely, cresyl-violet and rhodamine-6G. Au-decorated nanowires can be easily fabricated in large quantities at low cost by wet-chemical synthesis. Furthermore, their deposition onto various substrates, as well as the functionalization of these wires with the target substances, is as straightforward as with the traditional markers. © 2013 Springer Science+Business Media Dordrecht.

  9. A new route to produce efficient surface-enhanced Raman spectroscopy substrates: gold-decorated CdSe nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Das, Gobind; Chakraborty, Ritun; Gopalakrishnan, Anisha [Italian Institute of Technology, Nanostructure Division (Italy); Baranov, Dmitry [University of Colorado at Boulder, Department of Chemistry and Biochemistry (United States); Di Fabrizio, Enzo [King Abdullah University Science and Technology (KAUST), PSE and BESE Divisions (Saudi Arabia); Krahne, Roman, E-mail: roman.krahne@iit.it [Italian Institute of Technology, Nanostructure Division (Italy)

    2013-05-15

    Surface-enhanced Raman spectroscopy is a popular tool for the detection of extremely small quantities of target molecules. Au nanoparticles have been very successful in this respect due to local enhancement of the light intensity caused by their plasmon resonance. Furthermore, Au nanoparticles are biocompatible, and target substances can be easily attached to their surface. Here, we demonstrate that Au-decorated CdSe nanowires when employed as SERS substrates lead to an enhancement as large as 10{sup 5} with respect to the flat Au surfaces. In the case of hybrid metal-CdSe nanowires, the Au nucleates preferably on lattice defects at the lateral facets of the nanowires, which leads to a homogeneous distribution of Au nanoparticles on the nanowire, and to an efficient quenching of the nanowire luminescence. Moreover, the size of the Au nanoparticles can be well controlled via the AuCl{sub 3} concentration in the fabrication process. We demonstrate the effectiveness of our SERS substrates with two target substances, namely, cresyl-violet and rhodamine-6G. Au-decorated nanowires can be easily fabricated in large quantities at low cost by wet-chemical synthesis. Furthermore, their deposition onto various substrates, as well as the functionalization of these wires with the target substances, is as straightforward as with the traditional markers.

  10. Antioxidant and hepatoprotective role of selenium against silver nanoparticles

    Directory of Open Access Journals (Sweden)

    Ansar S

    2017-10-01

    Full Text Available Sabah Ansar,1 Saad M Alshehri,2 Manal Abudawood,1 Sherifa S Hamed,3,4 Tansir Ahamad2 1Clinical Laboratory Sciences, Applied Medical Science, King Saud University, Riyadh, Saudi Arabia; 2Department of Chemistry, College of Science, King Saud University, Riyadh, Saudi Arabia; 3Zoology Department, College of Science, King Saud University, Riyadh, Saudi Arabia; 4Zoology Department, Faculty of Science, University of Alexandria, Moharram Bey, Alexandria, Egypt Abstract: Silver nanoparticles (AgNPs have attracted the most interest in terms of their potential biomedical and industrial applications. However, these nanoparticles have shown their toxic behavior toward environment, living tissues, and organisms. Selenium (Se, an essential trace element, is necessary for various metabolic processes, including protection against ­oxidative stress and immune function. The present study was undertaken to evaluate the effect of Se against AgNP-induced hepatic oxidative stress. AgNPs were synthesized and then prepared nanoparticles were characterized using various analytical techniques such as UV-visible spectroscopy, X-ray diffraction, and transmission electron microscopy. Rats were administered AgNPs intraperitoneally (5 mg/kg/day and Se (0.2 mg/kg was given by gavage. AgNP administration induced hepatic damage as indicated by the serum marker enzymes with reduction in levels of glutathione, and decrease in activities of SOD, CAT, and GSH-peroxidase (P<0.05. Decrease in levels of total antioxidant capacity (TAC and increase in level of C-reactive protein (CRP was also observed in AgNP-treated group compared to control group. However, Se markedly attenuated AgNP-induced biochemical alterations, levels of TAC, CRP, and serum transaminases (AST, ALT (P<0.05. Taken together, these findings suggest that administration of AgNPs produces hepatotoxicity in rats, whereas Se supplementation attenuates these effects. Keywords: silver nanoparticles, selenium, antioxidant

  11. Study of hafnium (IV) oxide nanoparticles synthesized by polymerized complex and polymer precursor derived sol-gel methods

    KAUST Repository

    Ramos-Gonzá lez, R.; Garcí a-Cerda, L. A.; Alshareef, Husam N.; Gnade, Bruce E.; Quevedo-Ló pez, Manuel Angel Quevedo

    2010-01-01

    This work reports the preparation and characterization of hafnium (IV) oxide (HfO2) nanoparticles grown by derived sol-gel routes that involves the formation of an organic polymeric network. A comparison between polymerized complex (PC) and polymer precursor (PP) methods is presented. For the PC method, citric acid (CA) and ethylene glycol (EG) are used as the chelating and polymerizable reagents, respectively. In the case of PP method, poly(acrylic acid) (PAA) is used as the chelating reagent. In both cases, different precursor gels were prepared and the hafnium (IV) chloride (HfCl4) molar ratio was varied from 0.1 to 1.0 for the PC method and from 0.05 to 0.5 for the PP method. In order to obtain the nanoparticles, the precursors were heat treated at 500 and 800 °C. The thermal characterization of the precursor gels was carried out by thermogravimetric analysis (TGA) and the structural and morphological characterization by X-ray diffraction (XRD) and transmission electron microscopy (TEM). The XRD patterns of the samples obtained by both methods shows the formation of HfO2 at 500 °C with monoclinic crystalline phase. The PC method exhibited also the cubic phase. Finally, the HfO2 nanoparticles size (4 to 11 nm) was determined by TEM and XRD patterns. © (2010) Trans Tech Publications.

  12. Study of hafnium (IV) oxide nanoparticles synthesized by polymerized complex and polymer precursor derived sol-gel methods

    KAUST Repository

    Ramos-González, R.

    2010-03-01

    This work reports the preparation and characterization of hafnium (IV) oxide (HfO2) nanoparticles grown by derived sol-gel routes that involves the formation of an organic polymeric network. A comparison between polymerized complex (PC) and polymer precursor (PP) methods is presented. For the PC method, citric acid (CA) and ethylene glycol (EG) are used as the chelating and polymerizable reagents, respectively. In the case of PP method, poly(acrylic acid) (PAA) is used as the chelating reagent. In both cases, different precursor gels were prepared and the hafnium (IV) chloride (HfCl4) molar ratio was varied from 0.1 to 1.0 for the PC method and from 0.05 to 0.5 for the PP method. In order to obtain the nanoparticles, the precursors were heat treated at 500 and 800 °C. The thermal characterization of the precursor gels was carried out by thermogravimetric analysis (TGA) and the structural and morphological characterization by X-ray diffraction (XRD) and transmission electron microscopy (TEM). The XRD patterns of the samples obtained by both methods shows the formation of HfO2 at 500 °C with monoclinic crystalline phase. The PC method exhibited also the cubic phase. Finally, the HfO2 nanoparticles size (4 to 11 nm) was determined by TEM and XRD patterns. © (2010) Trans Tech Publications.

  13. Synthesis and properties of new CdSe-AgI-As2Se3 chalcogenide glasses

    International Nuclear Information System (INIS)

    Kassem, M.; Le Coq, D.; Fourmentin, M.; Hindle, F.; Bokova, M.; Cuisset, A.; Masselin, P.; Bychkov, E.

    2011-01-01

    Research highlights: → Determination of the glass-forming region in the pseudo-ternary CdSe-AgI-As 2 Se 3 system. → Characterization of macroscopic properties of the new CdSe-AgI-As 2 Se 3 glasses. → Far infrared transmission of chalcogenide glasses. → Characterization of the total conductivity of CdSe-AgI-As 2 Se 3 glasses. -- Abstract: The glass-forming region in the pseudo-ternary CdSe-AgI-As 2 Se 3 system was determined. Measurements including differential scanning calorimetry (DSC), density, and X-ray diffraction were performed. The effect resulting from the addition of CdSe or AgI has been highlighted by examining three series of different base glasses. The characteristic temperatures of the glass samples, including glass transition (T g ), crystallisation (T x ), and melting (T m ) temperatures are reported and used to calculate their ΔT = T x - T g and their Hruby, H r = (T x - T g )/(T m - T x ), criteria. Evolution of the total electrical conductivity σ and the room temperature conductivity σ 298 was also studied. The terahertz transparency domain in the 50-600 cm -1 region was pointed for different chalcogenide glasses (ChGs) and the potential of the THz spectroscopy was suggested to obtain structural information on ChGs.

  14. The electrochemical selective reduction of NO using CoSe2@CNTs hybrid.

    Science.gov (United States)

    Liu, Hui; Xiang, Kaisong; Yang, Bentao; Xie, Xiaofeng; Wang, Dongli; Zhang, Cong; Liu, Zhilou; Yang, Shu; Liu, Cao; Zou, Jianping; Chai, Liyuan

    2017-06-01

    Converting the NO from gaseous pollutant into NH 4 + through electrocatalytical reduction using cost-effective materials holds great promise for pollutant purifying and resources recycling. In this work, we developed a highly selective and stable catalyst CoSe 2 nanoparticle hybridized with carbon nanotubes (CoSe 2 @CNTs). The CoSe 2 @CNTs hybrid catalysts performed an extraordinary high selectivity for NH 4 + formation in NO electroreduction with minimal N 2 O production and H 2 evolution. The specific spatial structure of CoSe 2 is conductive to the predominant formation of N-H bond between the N from adsorbed NO and H and inhibition of N-N formation from adjacent adsorbed NO. It was also the first time to convert the coordinated NO into NH 4 + using non-noble metal catalysis. Moreover, the original concept of employing CoSe 2 as eletrocatalyst for NO hydrogenation presented in this work can broaden horizons and provide new dimensions in the design of new highly efficient catalysts for NH 4 + synthesis in aqueous solution.

  15. Inkjet printed Cu(In,Ga)S{sub 2} nanoparticles for low-cost solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Barbé, Jérémy, E-mail: jeremy.barbe@kaust.edu.sa; Eid, Jessica [King Abdullah University of Science and Technology, Solar and Photovoltaics Engineering Research Center (SPERC), Division of Physical Sciences and Engineering (Saudi Arabia); Ahlswede, Erik; Spiering, Stefanie; Powalla, Michael [Zentrum fur Sonnenenergie- und Wasserstoff-Forschung Baden-Württemberg (ZSW) (Germany); Agrawal, Rakesh [Purdue University, School of Chemical Engineering (United States); Del Gobbo, Silvano, E-mail: silvano.delgobbo@gmail.com [King Abdullah University of Science and Technology, Solar and Photovoltaics Engineering Research Center (SPERC), Division of Physical Sciences and Engineering (Saudi Arabia)

    2016-12-15

    Cu(In,Ga)Se{sub 2} (CIGSe) thin film solar cells were fabricated by direct inkjet printing of Cu(In,Ga)S{sub 2} (CIGS) nanoparticles followed by rapid thermal annealing under selenium vapor. Inkjet printing is a low-cost, low-waste, and flexible patterning method which can be used for deposition of solution-based or nanoparticle-based CIGS films with high throughput. XRD and Raman spectra indicate that no secondary phase is formed in the as-deposited CIGS film since quaternary chalcopyrite nanoparticles are used as the base solution for printing. Besides, CIGSe films with various Cu/(In + Ga) ratios could be obtained by finely tuning the composition of CIGS nanoparticles contained in the ink, which was found to strongly influence the devices performance and film morphology. To date, this is the first successful fabrication of a solar device by inkjet printing of CIGS nanoparticles.

  16. Inkjet printed Cu(In,Ga)S2 nanoparticles for low-cost solar cells

    KAUST Repository

    Barbe, Jeremy

    2016-12-13

    Cu(In,Ga)Se2 (CIGSe) thin film solar cells were fabricated by direct inkjet printing of Cu(In,Ga)S2 (CIGS) nanoparticles followed by rapid thermal annealing under selenium vapor. Inkjet printing is a low-cost, low-waste, and flexible patterning method which can be used for deposition of solution-based or nanoparticle-based CIGS films with high throughput. XRD and Raman spectra indicate that no secondary phase is formed in the as-deposited CIGS film since quaternary chalcopyrite nanoparticles are used as the base solution for printing. Besides, CIGSe films with various Cu/(In + Ga) ratios could be obtained by finely tuning the composition of CIGS nanoparticles contained in the ink, which was found to strongly influence the devices performance and film morphology. To date, this is the first successful fabrication of a solar device by inkjet printing of CIGS nanoparticles.

  17. Size-selective precipitation in colloidal semiconductor nanocrystals of CdTe and CdSe: a study by UV-VIS spectroscopy; Precipitacao seletiva de tamanhos em nanoparticulas semicondutoras coloidais de CdTe e CdSe: um estudo por espectroscopia UV-VIS

    Energy Technology Data Exchange (ETDEWEB)

    Viol, Livia Cristina de Souza; Silva, Fernanda Oliveira; Ferreira, Diego Lourenconi; Alves, Jose Luiz Aarestrup; Schiavon, Marco Antonio, E-mail: schiavon@ufsj.edu.b [Universidade Federal de Sao Joao del Rei, MG (Brazil). Dept. de Ciencias Naturais

    2011-07-01

    The post-preparative size-selective precipitation technique was applied in CdTe and CdSe semiconductor nanocrystals prepared via colloidal route in water. The synthesis of CdTe and CdSe nanoparticles and the effect of the post-preparative size-selective precipitation have been characterized mainly by mean of ultraviolet and visible absorption spectroscopy (UV-Vis). It was demonstrated that the size-selective precipitation are able to isolate particles of different sizes and purify the nanoparticles as well. (author)

  18. No todo lo que cuenta se cuenta

    NARCIS (Netherlands)

    van Rijckevorsel, J.

    2008-01-01

    En este trabajo publicado en "Insurance Economics" Nº 58 (Julio 2008), Jan van Rijckevorsel hace un profundo análisis del uso práctico de las estadísticas de seguros aplicadas a aspectos reales del quehacer institucional del sector, y señala varios campos (como el valor y calificación de la

  19. Properties and Bibliography of GaSe

    Science.gov (United States)

    1994-02-01

    Musaev, A. E. Bakhyshev, N. M. Gasanly and L. G. Musaeva . (1975). "Anisotropy of the optical constants of GaS and GaSe near the absorption edge." Sov...Phys. Semiconductors. 9 94-95 Russian ref.: Fiz. Tekh. Poluprovodn. 9 142-145 (January 1975). Akhundov, G. A., L. G. Musaeva and M. D. Khomutova

  20. VerSeDa: vertebrate secretome database.

    Science.gov (United States)

    Cortazar, Ana R; Oguiza, José A; Aransay, Ana M; Lavín, José L

    2017-01-01

    Based on the current tools, de novo secretome (full set of proteins secreted by an organism) prediction is a time consuming bioinformatic task that requires a multifactorial analysis in order to obtain reliable in silico predictions. Hence, to accelerate this process and offer researchers a reliable repository where secretome information can be obtained for vertebrates and model organisms, we have developed VerSeDa (Vertebrate Secretome Database). This freely available database stores information about proteins that are predicted to be secreted through the classical and non-classical mechanisms, for the wide range of vertebrate species deposited at the NCBI, UCSC and ENSEMBL sites. To our knowledge, VerSeDa is the only state-of-the-art database designed to store secretome data from multiple vertebrate genomes, thus, saving an important amount of time spent in the prediction of protein features that can be retrieved from this repository directly. VerSeDa is freely available at http://genomics.cicbiogune.es/VerSeDa/index.php. © The Author(s) 2017. Published by Oxford University Press.