The effect of surface morphology on the response of Fe{sub 2}O{sub 3}-loaded vanadium oxide nanotubes gas sensor

Energy Technology Data Exchange (ETDEWEB)

Jin Wei [State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, and School of Materials Science and Engineering, Wuhan University of Technology, Wuhan 430070 (China); Chen Wen, E-mail: chenw@whut.edu.cn [State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, and School of Materials Science and Engineering, Wuhan University of Technology, Wuhan 430070 (China); Li Yue; Zhao Chunxia; Dai Ying [State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, and School of Materials Science and Engineering, Wuhan University of Technology, Wuhan 430070 (China)

2011-06-01

The effect of surface morphology on the response of an ethanol sensor based on vanadium nanotubes surface loaded with Fe{sub 2}O{sub 3} nanoparticles (Fe{sub 2}O{sub 3}/VONTs) was investigated in this work. The particle size of Fe{sub 2}O{sub 3} loaded on VONTs was varied by using novel citric acid-assisted hydrothermal method. In the synthesis progress, citric acid was used as a surfactant and chelate agent, which ensured the growth of a uniform Fe{sub 2}O{sub 3} loading on the nanotubes surface. The ethanol sensing properties was then measured for these Fe{sub 2}O{sub 3}/VONTs at 230-300 deg. C. The results showed that the sensor response increased with the particles size and the loading amount of Fe{sub 2}O{sub 3}. It appears that the load of Fe{sub 2}O{sub 3} on the VONTs surface increases the concentration of oxygen vacancies and decreases the concentration of free electrons. The effects of morphology on the sensor resistance were interpreted in terms of the Debye length and the difference in the number of active sites.

Effects of the Ho{sup 3+}/Yb{sup 3+} concentration ratio on the structure and photoluminescence of ZnO films

Energy Technology Data Exchange (ETDEWEB)

Xu, Boxu [School of Materials Science and Engineering, Tianjin Polytechnic University, Tianjin 300387 (China); Wang, Pei [Auditing Department, Tianjin Polytechnic University, Tianjin 300387 (China); Meng, Xiaoqi; Zou, Kaishun [School of Materials Science and Engineering, Tianjin Polytechnic University, Tianjin 300387 (China); Liu, Juncheng, E-mail: jchliu@tjpu.edu.cn [School of Materials Science and Engineering, Tianjin Polytechnic University, Tianjin 300387 (China)

2016-07-15

To improve the efficiency of photoluminescent films, this study investigates the effects of the Ho{sup 3+}/Yb{sup 3+} concentration ratio on the structure and up-conversion photoluminescence of ZnO films prepared by the sol–gel method and the spin-coating technique. ZnO maintained its hexagonal wurtzite structure after doping with rare earth ions. The ZnO films consist of round granules, the average size of which increases as the Ho{sup 3+}/Yb{sup 3+} concentration ratio increases. Once the ratio exceeds 1:2, the film's granules significantly coarsen, and the surface roughness slightly increases. When the film is pumped with a 980-nm laser, two intense emission bands are observed in the up-conversion emission spectrum, with a green band centered at 550 nm and a red band centered at 660 nm, corresponding to the Ho{sup 3+}: {sup 5}S{sub 2}/{sup 5}F{sub 4}→{sup 5}I{sub 8}, and {sup 5}F{sub 5}→{sup 5}I{sub 8} transitions, respectively. In addition, as the Ho{sup 3+}/Yb{sup 3+} concentration ratio increases, the intensity of the film's upconversion luminescence first increases and then decreases, reaching a maximum at a concentration ratio of 1:2, with a peak of about four times the minimum value.

Surface resistance of YBa2Cu3O7 films deposited on LaGaO3 substrates

International Nuclear Information System (INIS)

Cooke, D.W.; Gray, E.R.; Houlton, R.J.; Javadi, H.H.S.; Maez, M.A.; Bennett, B.L.; Rusnak, B.; Meyer, E.A.; Arendt, P.N.; Beery, J.G.; Brown, D.R.; Garzon, F.H.; Raistriek, I.D.; Bolmaro, B.; Elliott, N.E.; Rollett, A.D.; Klein, N.; Muller, G.; Orbach, S.; Piel, H.; Josefowicz, J.Y.; Rensch, O.B.; Drabeck, L.; Gruner, G.

1989-01-01

Superconducting films of YBa 2 Cu 3 O 7 deposited onto LaGaO 3 substrates were prepared by e-beam and magnetron sputtering techniques. Surface resistance measurements made at 22 GHz, 86 GHz, and 148 GHz show that these films are superior to those deposited by similar techniques onto SrTiO 3 . Typical surface resistance values measured at 22 GHz and 12 K are ∼2 m(cgom) with the lowest value being 0.2 m(cgom), which is only 2 to 4 times higher than Nb. The surface resistance is proportional to the square of the measuring frequency

Physicochemical properties and in vitro cytocompatibility of modified titanium surfaces prepared via micro-arc oxidation with different calcium concentrations

International Nuclear Information System (INIS)

Wu, Sui-Dan; Zhang, Hui; Dong, Xu-Dong; Ning, Cheng-Yun; Fok, Alex S.L.; Wang, Yan

2015-01-01

Highlights: • MAO coating improves the surface characteristics and cytocompatibility of titanium. • Composition of MAO coating varies with the electrolyte concentration. • MAO coating properties can be optimized by adjusting the electrolyte concentration. • Higher CA concentration contributes to more favorable MAO coating cytocompatibility. - Abstract: Objective: To explore the effect of calcium concentration in the electrolyte solution on the physicochemical properties and biocompatibility of coatings formed by micro-arc oxidation (MAO) on titanium surfaces. Methods: The surfaces of pure titanium plates were modified by MAO in an electrolytic solution containing calcium acetate (CA; C 4 H 6 CaO 4 ) at concentrations of 0.05, 0.1, 0.2, or 0.3 M and β-glycerophosphate disodium salt pentahydrate (β-GP; C 3 H 7 Na 2 O 6 P·5H 2 O) at a fixed concentration of 0.02 M. Surface topography, elemental characteristics, phase composition, and roughness were investigated by scanning electron microscopy, energy-dispersive X-ray analysis, X-ray diffraction, and a surface roughness tester, respectively. To assess the cytocompatibility and osteoinductivity of the surfaces, MC3T3-E1 preosteoblasts were cultured on the surfaces in vitro, and cell morphology, adhesion, proliferation, and differentiation were observed. Results: The porous MAO coating was composed primarily of TiO 2 rutile and anatase. The amount of TiO 2 rutile, the Ca/P ratio, and the surface roughness of the MAO coating increased with increasing CA concentration in the electrolyte solution. Ca 3 (PO 4 ) 2 , CaCO 3 , and CaTiO 3 were formed on MAO-treated surfaces prepared with CA concentrations of 0.2 and 0.3 M. Cell proliferation and differentiation increased with increasing CA concentration, with MC3T3-E1 cells exhibiting favorable morphologies for bone–implant integration. Conclusions: MAO coating improves the surface characteristics and cytocompatibility of titanium for osseointegration. Higher CA

The effects of Nd2O3 concentration in the laser emission of TeO2-ZnO glasses

Science.gov (United States)

Moreira, L. M.; Anjos, V.; Bell, M. J. V.; Ramos, C. A. R.; Kassab, L. R. P.; Doualan, D. J. L.; Camy, P.; Moncorgé, R.

2016-08-01

The present work reports the modification introduced by different Nd2O3 concentration on optical properties and the laser operation of Nd3+ doped (TeO2-ZnO) bulk tellurite glass. The spectroscopic data are analyzed within the Judd Ofelt formalism framework and the results are compared to the fluorescence lifetime and emission measurements to derive values for the quantum efficiency and the stimulated emission cross section of the considered 4F3/2 → 4I11/2 infrared laser transition around 1062.5 nm. Continuous-wave laser action is achieved with this bulk tellurite glass by pumping the sample inside a standard plan-concave mirror laser cavity with different output couplers. It is possible to observe coherent emission only for the lower concentration (0.5%(wt.) of Nd2 O3). Also laser action could only be observed for this sample with threshold pump power of 73 mW associated with a laser slope efficiency of 8% for an output coupler transmission of 4% indicating that TeO2-ZnO are potential materials for laser action. The results presented in this work together with those previously reported with higher concentration (1.0% (wt) of Nd2O3) determine the adequate Nd2O3 concentration for laser action and guide the correct experimental procedure for TeO2-ZnO glasses preparation.

Oxygen dosing the surface of SrTiO{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Dudy, L.; Scheiderer, P.; Schuetz, P.; Gabel, J.; Buchwald, M.; Sing, M.; Claessen, R. [Physikalisches Institut, Universitaet Wuerzburg (Germany); Denlinger, J.D. [Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, CA, 94270 (United States); Schlueter, C.; Lee, T.L. [Diamond Light Source Ltd., Didcot, Oxfordshire (United Kingdom)

2015-07-01

The highly mobile two-dimensional electron system (2DES) on the surface of the insulating SrTiO{sub 3}(STO) offers exciting perspectives for advanced material design. This 2DES resides in a depletion layer caused by oxygen deficiency of the surface. With photoemission spectroscopy, we monitor the appearance of quasi-particle weight (QP) at the Fermi energy and oxygen vacancy induced states in the band gap (IG). Both, QP and IG weight, increase and decrease respectively upon exposure to extreme ultraviolet (XUV) light and in-situ oxygen dosing. By a proper adjustment of oxygen dosing, any intermediate state can be stabilized providing full control over the charge carrier density. From a comparison of the charge carrier concentrations obtained from an analysis of core-level spectra and the Fermi-surface volume, we conclude on a spatially inhomogeneous surface electronic structure with at least two different phases.

Effective decolorization and adsorption of contaminant from industrial dye effluents using spherical surfaced magnetic (Fe{sub 3}O{sub 4}) nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Suriyaprabha, R., E-mail: sooriyarajendran@gmail.com; Khan, Samreen Heena [Centre for Nanosciences, Central University of Gujarat, Gandhainagar-382030 (India); Pathak, Bhawana; Fulekar, M. H., E-mail: mhfulekar@yahoo.com [School of Environment and Sustainable Development, Central University of Gujarat, Gandhainagar-382030 (India)

2016-04-13

Treatment of highly concentrated Industrial dye stuff effluents released in the environment is the major issue faced in the era of waste management as well as in water pollution. Though there is availability of conventional techniques in large numbers, there is a need of efficient and effective advance technologies. In account of that, Nanotechnology plays a prominent role to treat the heavy metals, organic and inorganic contaminants using smart materials in nano regime (1 -100 nm). Among these nanomaterials like Iron Oxide (Fe{sub 3}O{sub 4}, magnetic nanoparticle) is one of the most promising candidates to remove the heavy metals from the industrial effluent. Fe{sub 3}O{sub 4} is the widely used smart material with magnetic property having high surface area; high surface to volume ratio provides more surface for the chemical reaction for the surface adsorption. Fe{sub 3}O{sub 4} nanoparticles have been synthesized using sonochemical method using ultra frequency in aqueous solution under optimized conditions. The as-synthesized nanoparticle was analyzed using different characterization tool. The Transmission Electron microscope (TEM) images revealed 10-12 nm spherical shape nanoparticles; crystal phase and surface morphology was confirmed by X-Ray Diffraction (XRD) and Scanning Electron Microscopy (SEM), respectively. The functional group were identified by Fourier Transform-Infra Red Spectroscopy (FT-IR), revealed the bending and stretching vibrations associated with Iron Oxide nanoparticle. In present study, for the efficient removal of contaminants, different concentration (10-50 ppm) of dye stuff effluent has been prepared and subjected to adsorption and decolourization at definite time intervals with Fe{sub 3}O{sub 4} nanoparticles. The concentration of Iron oxide and the time (45 mins) was kept fixed for the reaction whereas the concentration of dye stuff effluent was kept varying. It was found that the spherical shaped Fe{sub 3}O{sub 4} proved to be

Al2O3 Coated Concentration-Gradient Li[Ni0.73Co0.12Mn0.15]O2 Cathode Material by Freeze Drying for Long-Life Lithium Ion Batteries

International Nuclear Information System (INIS)

Wang, Jingpeng; Du, Chunyu; Yan, Chunqiu; He, Xiaoshu; Song, Bai; Yin, Geping; Zuo, Pengjian; Cheng, Xinqun

2015-01-01

Highlights: • Al 2 O 3 -coated concentration-gradient oxide is synthesized by a freeze drying method. • The effect of Al 2 O 3 -coating on concentration-gradient cathode is firstly studied. • Al 2 O 3 -coated sample exhibits high capacity and significantly enhanced cyclability. • Improved cyclability is ascribed to the effective protection of uniform Al 2 O 3 layer. - Abstract: In order to enhance the electrochemical performance of the high capacity layered oxide cathode with a Ni-rich core and a concentration-gradient shell (NRC-CGS), we use a freeze drying method to coat Al 2 O 3 layer onto the surface of NRC-CGS Li[Ni 0.73 Co 0.12 Mn 0.15 ]O 2 material. The samples are characterized by X-ray diffraction, scanning electron microscopy, transmission electron microscopy, charge-discharge measurements and electrochemical impedance spectroscopy. It is revealed that an amorphous Al 2 O 3 layer of about 5 nm in thickness is uniformly formed on the surface of NRC-CGS Li[Ni 0.73 Co 0.12 Mn 0.15 ]O 2 material by the freeze drying procedure. The freeze drying Al 2 O 3 -coated (FD-Al 2 O 3 -coated) sample demonstrates similar discharge capacity and significantly enhanced cycling performances, in comparison to the pristine and conventional heating drying Al 2 O 3 -coated (HD-Al 2 O 3 -coated) samples. The capacity decay rate of FD-Al 2 O 3 -coated Li[Ni 0.73 Co 0.12 Mn 0.15 ]O 2 material is 1.7% after 150 cycles at 55 °C, which is 9 and 12 times lower than that of the pristine and HD-Al 2 O 3 -coated samples. The superior electrochemical stability of the FD-Al 2 O 3 -coated sample is attributed to the synergistic protection of CGS and high-quality Al 2 O 3 coating that effectively protect the active material from electrolyte attack. The freeze drying process provides an effective method to prepare the high performance surface-coated electrode materials

Passivation of surface states of α-Fe2O3(0001) surface by deposition of Ga2O3 overlayers: A density functional theory study.

Science.gov (United States)

Ulman, Kanchan; Nguyen, Manh-Thuong; Seriani, Nicola; Gebauer, Ralph

2016-03-07

There is a big debate in the community regarding the role of surface states of hematite in the photoelectrochemical water splitting. Experimental studies on non-catalytic overlayers passivating the hematite surface states claim a favorable reduction in the overpotential for the water splitting reaction. As a first step towards understanding the effect of these overlayers, we have studied the system Ga2O3 overlayers on hematite (0001) surfaces using first principles computations in the PBE+U framework. Our computations suggest that stoichiometric terminations of Ga2O3 overlayers are energetically more favored than the bare surface, at ambient oxygen chemical potentials. Energetics suggest that the overlayers prefer to grow via a layer-plus-island (Stranski-Krastanov) growth mode with a critical layer thickness of 1-2 layers. Thus, a complete wetting of the hematite surface by an overlayer of gallium oxide is thermodynamically favored. We establish that the effect of deposition of the Ga2O3 overlayers on the bare hematite surface is to passivate the surface states for the stoichiometric termination. For the oxygen terminated surface which is the most stable termination under photoelectrochemical conditions, the effect of deposition of the Ga2O3 overlayer is to passivate the hole-trapping surface state.

Theoretical study of ZnO adsorption and bonding on Al2O3 (0001) surface

Institute of Scientific and Technical Information of China (English)

LI Yanrong; YANG Chun; XUE Weidong; LI Jinshan; LIU Yonghua

2004-01-01

ZnO adsorption on sapphire (0001) surface is theoretically calculated by using a plane wave ultrasoft pseudo-potential method based on ab initio molecular dynamics. The results reveal that the surface relaxation in the first layer Al-O is reduced, even eliminated after the surface adsorption of ZnO, and the chemical bonding energy is 434.3(±38.6) kJ·mol-1. The chemical bond of ZnO (0.185 ± 0.01 nm) has a 30° angle away from the adjacent Al-O bond, and the stable chemical adsorption position of the Zn is deflected from the surface O-hexagonal symmetry with an angle of about 30°. The analysis of the atomic populations, density of state and bonding electronic density before and after the adsorption indicates that the chemical bond formed by the O2- of the ZnO and the surface Al3+ has a strong ionic bonding characteristic, while the chemical bond formed by the Zn2+ and the surface O2- has an obvious covalent characteristic, which comes mainly from the hybridization of the Zn 4s and the O 2p and partially from that of the Zn 3d and the O 2p.

Physicochemical properties and in vitro cytocompatibility of modified titanium surfaces prepared via micro-arc oxidation with different calcium concentrations

Energy Technology Data Exchange (ETDEWEB)

Wu, Sui-Dan; Zhang, Hui [Guanghua School of Stomatology, Hospital of Stomatology, Guangdong Key Laboratory of Stomatology, Sun Yat-sen University, Guangzhou 510055 (China); Dong, Xu-Dong [Faculty of Pharmaceutical Sciences, University of British Columbia, Vancouver, BC V6T 1Z3 (Canada); Ning, Cheng-Yun [College of Material Science and Engineering, South China University of Technology, Guangzhou 510641 (China); Fok, Alex S.L. [Minnesota Dental Research Center of Biomaterials and Biomechanics, School of Dentistry, University of Minnesota, Minneapolis, MN 55414 (United States); Wang, Yan, E-mail: wyan65@163.com [Guanghua School of Stomatology, Hospital of Stomatology, Guangdong Key Laboratory of Stomatology, Sun Yat-sen University, Guangzhou 510055 (China)

2015-02-28

Highlights: • MAO coating improves the surface characteristics and cytocompatibility of titanium. • Composition of MAO coating varies with the electrolyte concentration. • MAO coating properties can be optimized by adjusting the electrolyte concentration. • Higher CA concentration contributes to more favorable MAO coating cytocompatibility. - Abstract: Objective: To explore the effect of calcium concentration in the electrolyte solution on the physicochemical properties and biocompatibility of coatings formed by micro-arc oxidation (MAO) on titanium surfaces. Methods: The surfaces of pure titanium plates were modified by MAO in an electrolytic solution containing calcium acetate (CA; C{sub 4}H{sub 6}CaO{sub 4}) at concentrations of 0.05, 0.1, 0.2, or 0.3 M and β-glycerophosphate disodium salt pentahydrate (β-GP; C{sub 3}H{sub 7}Na{sub 2}O{sub 6}P·5H{sub 2}O) at a fixed concentration of 0.02 M. Surface topography, elemental characteristics, phase composition, and roughness were investigated by scanning electron microscopy, energy-dispersive X-ray analysis, X-ray diffraction, and a surface roughness tester, respectively. To assess the cytocompatibility and osteoinductivity of the surfaces, MC3T3-E1 preosteoblasts were cultured on the surfaces in vitro, and cell morphology, adhesion, proliferation, and differentiation were observed. Results: The porous MAO coating was composed primarily of TiO{sub 2} rutile and anatase. The amount of TiO{sub 2} rutile, the Ca/P ratio, and the surface roughness of the MAO coating increased with increasing CA concentration in the electrolyte solution. Ca{sub 3}(PO{sub 4}){sub 2}, CaCO{sub 3}, and CaTiO{sub 3} were formed on MAO-treated surfaces prepared with CA concentrations of 0.2 and 0.3 M. Cell proliferation and differentiation increased with increasing CA concentration, with MC3T3-E1 cells exhibiting favorable morphologies for bone–implant integration. Conclusions: MAO coating improves the surface characteristics and

Dependence of photoluminescence (PL) emission intensity on Eu3+ and ZnO concentrations in Y2O3:Eu3+ and ZnO·Y2O3:Eu3+ nanophosphors

CSIR Research Space (South Africa)

Mhlongo, GH

2011-08-01

Full Text Available Y2O3:Eu3+ and ZnO·Y2O3:Eu3+ nanophosphor powders with different concentrations of Eu3+ ions were synthesized by a sol–gel method and their luminescence properties were investigated. The red photoluminescence (PL) from Eu3+ ions with the main...

Efficient photoluminescence of Dy3+ at low concentrations in nanocrystalline ZrO2

International Nuclear Information System (INIS)

Diaz-Torres, L.A.; Rosa, E. de la; Salas, P.; Romero, V.H.; Angeles-Chavez, C.

2008-01-01

Nanocrystalline ZrO 2 :Dy 3+ were prepared by sol-gel and the structural and photoluminescence properties characterized. The crystallite size ranges from 20 to 50 nm and the crystalline phase is a mixture of tetragonal and monoclinic structure controlled by dopant concentration. Strong white light produced by the host emission band centered at ∼460 nm and two strong Dy 3+ emission bands, blue (488 nm) and yellow (580 nm), under direct excitation at 350 nm were observed. The highest efficiency was obtained for 0.5 mol% of Dy 3+ . Emission is explained in terms of high asymmetry of the host suggesting that Dy 3+ are substituted mainly into Zr 4+ lattice sites at the crystallite surface. Luminescence quenching is explained in terms of cross-relaxation of intermediate Dy 3+ levels. - Graphical abstract: White light emission from ∼70 nm ZrO 2 :Dy 3+ nanocrystals. The highest efficiency was obtained for 0.5 mol% of dopant and the dominant crystalline structure was monoclinic

Study of the solid-solid surface adsorption of Eu2O3 on various Al2O3 supports

International Nuclear Information System (INIS)

Liu Rongchuan; Yu Zhi; Zhou Yuan; Yoshitake Yamazaki

1997-12-01

Solid-solid surface interactions of Eu 2 O 3 on various oxide substrates are investigated with X-ray and Moessbauer experiments. The results indicate that the interaction of Eu 2 O 3 on the complex support differs from that having simple support. An incorporation model is used to explain how Eu 2 O 3 disperses onto the surface of γ-alumina or η-alumina

MECHANISTIC KINETIC MODELS FOR STEAM REFORMING OF CONCENTRATED CRUDE ETHANOL ON NI/AL2O3 CATALYST

Directory of Open Access Journals (Sweden)

O. A. OLAFADEHAN

2015-05-01

Full Text Available Mechanistic kinetic models were postulated for the catalytic steam reforming of concentrated crude ethanol on a Ni-based commercial catalyst at atmosphere pressure in the temperature range of 673-863 K, and at different catalyst weight to the crude ethanol molar flow rate ratio (in the range 0.9645-9.6451 kg catalyst h/kg mole crude ethanol in a stainless steel packed bed tubular microreactor. The models were based on Langmuir-Hinshelwood-Hougen-Watson (LHHW and Eley-Rideal (ER mechanisms. The optimization routine of Nelder-Mead simplex algorithm was used to estimate the inherent kinetic parameters in the proposed models. The selection of the best kinetic model amongst the rival kinetic models was based on physicochemical, statistical and thermodynamic scrutinies. The rate determining step for the steam reforming of concentrated crude ethanol on Ni/Al2O3 catalyst was found to be surface reaction between chemisorbed CH3O and O when hydrogen and oxygen were adsorbed as monomolecular species on the catalyst surface. Excellent agreement was obtained between the experimental rate of reaction and conversion of crude ethanol, and the simulated results, with ADD% being ±0.46.

On the Fermi surface of YBa2Cu3O7-δ

International Nuclear Information System (INIS)

Peter, M.; Manuel, A.A.; Hoffmann, L.; Sadowski, W.

1992-01-01

We show that the signature of a Fermi surface sheet of YBa 2 Cu 3 O 7-δ may be obtained unambiguously from twinned crystals. Comparison of electron-positron momentum density from YBa 2 Cu 3 O 7-δ measured both in insulating and (superconducting) twinned phases leads to a decisive further proof of the existence of the Fermi surface in the metallic YBa 2 Cu 3 O 7-δ . In addition, measurements on untwinned YBA 2 Cu 3 O 7-δ single crystals reveal also a ridge Fermi surface sheet attributed by band structure calculations to CuO chains. 14 refs., 3 figs

Changes in local surface structure and Sr depletion in Fe-implanted SrTiO{sub 3} (001)

Energy Technology Data Exchange (ETDEWEB)

Lobacheva, O., E-mail: olobache@gmail.com [Department of Physics and Astronomy, Western University, London, ON N6A 5B7 (Canada); Yiu, Y.M. [Department of Chemistry, Western University, London, ON N6A 5B7 (Canada); Chen, N. [Canadian Light Source, Saskatoon, SK S7N 0X4 (Canada); Sham, T.K.; Goncharova, L.V. [Department of Physics and Astronomy, Western University, London, ON N6A 5B7 (Canada); Department of Chemistry, Western University, London, ON N6A 5B7 (Canada)

2017-01-30

Highlights: • Fe ion implantation of SrTiO{sub 3} and post-implantation results in formation of Sr{sub 1-y}Ti{sub 1-x}Fe{sub x+y}O{sub 3-δ} phase. • In Sr{sub 1-y}Ti{sub 1-x}Fe{sub x+y}O{sub 3-δ} phase, Fe assumes Fe{sup 3+} oxidation state in the bulk and Fe{sup 2+} oxidation state in the near surface area. • FEFF9 calculations indicate that Fe ions can substitute both Ti and Sr sites. • Formation of Sr{sub 1-y}Ti{sub 1-x}Fe{sub x+y}O{sub 3-δ} phase is accompanied by Sr depletion in the near surface region. - Abstract: Local surface structure of single crystal strontium titanate SrTiO{sub 3} (001) samples implanted with Fe in the range of concentrations between 2 × 10{sup 14} to 2 × 10{sup 16} Fe/cm{sup 2} at 30 keV has been investigated. In order to facilitate Fe substitution (doping), implanted samples were annealed in oxygen at 350 °C. Sr depletion was observed from the near-surface layers impacted by the ion-implantation process, as revealed by Rutherford Backscattering Spectrometry (RBS), X-ray photoelectron spectroscopy (XPS), X-ray Absorption Near Edge Spectroscopy (XANES), and Atomic Force Microscopy (AFM). Hydrocarbon contaminations on the surface may contribute to the mechanisms of Sr depletion, which have important implications for Sr(Ti{sub 1-x}Fe{sub x})O{sub 3-δ} materials in gas sensing applications.

Adsorption heats of olefins on supported MoO3/Al2O3 catalists

International Nuclear Information System (INIS)

Grinev, V.E.; Madden, M.; Khalit, V.A.; Aptekar', E.L.; Aldag, A.; Krylov, O.V.

1983-01-01

Adsorption heats of C 2 H 4 , C 3 H 6 and C 4 H 8 on supported MoO 3 /Al 2 O 3 catalysts containing 6, 10 and 15 wt. % of MoO 3 at 25, 77 and 195 deg are determimed. Adsorption heat of an olefin increases with a growing length of its carbonic chain. The number of adsorbed olefin molecules grows with an increase in the MoO 3 concentration, while initial adsorption heats decrease. The number of adsorbed olefins is proportional to mean rate of molybdenum reduction in catalysts. Adsorption heats of oxygen on the surface of the catalysts with preliminarily adsorbed olefins are determined. It is shown that adsorption of oxygen and olefins proceeeds both on the same and on different centres of the surface. Mechanisms of surface interactions are discussed

Water adsorption induced in-plane domain switching on BaTiO{sub 3} surface

Energy Technology Data Exchange (ETDEWEB)

Li, X.; Bai, Y.; Su, Y. J., E-mail: yjsu@ustb.edu.cn [Corrosion and Protection Center, Key Laboratory for Environmental Fracture (MOE), University of Science and Technology Beijing, Beijing 100083 (China); Wang, B. C. [Corrosion and Protection Center, Key Laboratory for Environmental Fracture (MOE), University of Science and Technology Beijing, Beijing 100083 (China); Multiscale Materials Modelling group, Department of Materials and Engineering, Royal Institute of Technology, SE-10044 Stockholm (Sweden)

2015-09-07

In this study, the influences of the adsorption of water molecules on the changes in the atomic and electric structures of BaTiO{sub 3} surface were investigated using ab initio calculation. Water molecules are molecularly and dissociatively adsorbed on the BaTiO{sub 3} surface, which makes electrons transfer from water molecules to the BaTiO{sub 3} surface. The redistribution of electrons in the BaTiO{sub 3} surface layers weakens the Ba-O interactions and strengthens the Ti-O interactions, so that the Ti atom shifts in TiO{sub 2} plane, i.e., an in-plane domain switching. The adsorption of water molecules on BaTiO{sub 3} surfaces also results in a reduction in the surface rumpling.

Native SrTiO3 (001) surface layer from resonant Ti L2,3 reflectance spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Valvidares, Manuel; Huijben, Mark; Yu, Pu; Ramesh, Ramamoorthy; Kortright, Jeffrey

2010-11-03

We quantitatively model resonant Ti L2,3 reflectivity Rs,p(q, hn) from several SrTiO3 (001) single crystals having different initial surface preparations and stored in ambient conditions before and between measurements. All samples exhibit unexpected 300 K Rs(hn) - Rp(hn) anisotropy corresponding to weak linear dichroism and tetragonal distortion of the TiO6 octahedra indicating a surface layer with properties different from cubic SrTiO3. Oscillations in Rs(q) confirm a ubiquitous surface layer 2-3 nm thick that evolves over a range of time scales. Resonant optical constant spectra derived from Rs,p(hn) assuming a uniform sample are refined using a single surface layer to fit measured Rs(q). Differences in surface layer and bulk optical properties indicate that the surface is significantly depleted in Sr and enriched in Ti and O. While consistent with the tendency of SrTiO3 surfaces toward non-stoichiometry, this layer does not conform simply to existing models for the near surface region and apparently forms via room temperature surface reactions with the ambient. This new quantitative spectral modeling approach is generally applicable and has potential to study near-surface properties of a variety of systems with unique chemical and electronic sensitivities.

Enhanced photoelectrocatalytic performance of α-Fe2O3 thin films by surface plasmon resonance of Au nanoparticles coupled with surface passivation by atom layer deposition of Al2O3.

Science.gov (United States)

Liu, Yuting; Xu, Zhen; Yin, Min; Fan, Haowen; Cheng, Weijie; Lu, Linfeng; Song, Ye; Ma, Jing; Zhu, Xufei

2015-12-01

The short lifetime of photogenerated charge carriers of hematite (α-Fe2O3) thin films strongly hindered the PEC performances. Herein, α-Fe2O3 thin films with surface nanowire were synthesized by electrodeposition and post annealing method for photoelectrocatalytic (PEC) water splitting. The thickness of the α-Fe2O3 films can be precisely controlled by adjusting the duration of the electrodeposition. The Au nanoparticles (NPs) and Al2O3 shell by atom layer deposition were further introduced to modify the photoelectrodes. Different constructions were made with different deposition orders of Au and Al2O3 on Fe2O3 films. The Fe2O3-Au-Al2O3 construction shows the best PEC performance with 1.78 times enhancement by localized surface plasmon resonance (LSPR) of NPs in conjunction with surface passivation of Al2O3 shells. Numerical simulation was carried out to investigate the promotion mechanisms. The high PEC performance for Fe2O3-Au-Al2O3 construction electrode could be attributed to the Al2O3 intensified LSPR, effective surface passivation by Al2O3 coating, and the efficient charge transfer due to the Fe2O3-Au Schottky junctions.

Electric controlling of surface metal-insulator transition in the doped BaTiO3 film

Directory of Open Access Journals (Sweden)

Wei Xun

2017-07-01

Full Text Available Based on first-principles calculations, the BaTiO3(BTO film with local La-doping is studied. For a selected concentration and position of doping, the surface metal-insulator transition occurs under the applied electric field, and the domain appears near the surface for both bipolar states. Furthermore, for the insulated surface state, i.e., the downward polarization state in the doped film, the gradient bandgap structure is achieved, which favors the absorption of solar energy. Our investigation can provide an alternative avenue in modification of surface property and surface screening effect in polar materials.

Influence of C3H8O3 in the electrolyte on characteristics and corrosion resistance of the microarc oxidation coatings formed on AZ91D magnesium alloy surface

International Nuclear Information System (INIS)

Wu Di; Liu Xiangdong; Lu Kai; Zhang Yaping; Wang Huan

2009-01-01

Ceramic coatings were fabricated on AZ91D Mg-alloy substrate by microarc oxidation in Na 2 SiO 3 -NaOH-Na 2 EDTA electrolytes with and without C 3 H 8 O 3 addition. The effects of different concentrations of C 3 H 8 O 3 contained in the electrolyte on coatings thickness were investigated. The surface morphologies, RMS roughness, phase compositions and corrosion resistance property of the ceramic coatings were analyzed by scanning electron microscopy (SEM), atomic force microscopy (AFM), X-ray diffraction (XRD), and electrochemical corrosion test respectively. It is found that the addition of C 3 H 8 O 3 into silicate electrolyte leads to increase of the unit-area adsorptive capacity of the negative ions at anode-electrolyte interface and thus improves the compactness and corrosion resistance of the MAO coating. The coating thickness decreases gradually with the increase of concentrations of C 3 H 8 O 3 in the electrolyte. The oxide coating formed in base electrolyte containing 4 mL/L C 3 H 8 O 3 exhibits the best surface appearance, the lowest surface RMS roughness (174 nm) and highest corrosion resistance. In addition, both ceramic coatings treated in base electrolyte with and without C 3 H 8 O 3 are mainly composed of periclase MgO and forsterite Mg 2 SiO 4 phase, but no diffraction peak of Mg phase is found in the patterns.

Electrical resistivity surface for FeO-Fe2O3-P2O5 glasses

Science.gov (United States)

Vaughan, J. G.; Kinser, D. L.

1975-01-01

The dc electrical properties and microstructure of x(FeO-Fe2O3)-(100-x)P2O5 glasses were investigated up to a maximum of x = 75 mol %. Results indicate that, in general, the minimum resistivity of the glass does not occur at equal Fe(2+) and Fe(3+) concentrations, although for the special case where x = 55 mol % the minimum does occur at Fe(2+)/Fe total = 0.5, as reported by other investigators. Evidence presented shows that the position of the minimum resistivity is a function of total iron content. The minimum shifts to glasses richer in Fe(2+) at higher total iron concentrations.

Electrical properties of (1 0 0)-predominant BaTiO3 films derived from alkoxide solutions of two concentrations

International Nuclear Information System (INIS)

Guo Yiping; Suzuki, Kazuyuki; Nishizawa, Kaori; Miki, Takeshi; Kato, Kazumi

2006-01-01

Lead-free piezoelectric films with thickness larger than 1 μm integrated on silicon substrates have been receiving considerable attention because of environmental concerns and their potential applications in microelectromechanical systems. We demonstrate that, by chemical solution deposition, it is possible to process (1 0 0)-predominant 1 μm BaTiO 3 films on LaNiO 3 /Pt/TiO x /SiO 2 /Si substrates using thinner high-crystallinity columnar BaTiO 3 films as buffer layers. We point out that this kind of buffer layer prepared with a lower concentration solution on the surface of an LaNiO 3 /Pt electrode is effective in enhancing the crystallinity and orientation degree of final BaTiO 3 films prepared with a higher concentration solution. The 1 μm BaTiO 3 films show good dielectric and insulating characteristics against an applied field, and the conduction current shows Schottky emission behavior at modest voltage and space-charge-limited behavior at higher voltage. We also demonstrate that the (1 0 0)-predominant 1 μm BaTiO 3 films have excellent piezoelectric properties: piezoelectric coefficients d 33 higher than 50 pm/V have been determined for the bare films using atomic force microscopy, which are comparable to those of Pb(Zr,Ti)O 3 films. These results indicate that the (1 0 0)-predominant BaTiO 3 films should be promising candidates for microelectromechanical systems applications

Direct observation of ozone formation on SiO2 surfaces in O2 discharges

Science.gov (United States)

Marinov, D.; Guaitella, O.; Booth, J. P.; Rousseau, A.

2013-01-01

Ozone production is studied in a pulsed O2 discharge at pressures in the range 1.3-6.7 mbar. Time-resolved absolute concentrations of O3 and O are measured in the post-discharge using UV absorption spectroscopy and two-photon absorption laser-induced fluorescence. In a bare silica discharge tube ozone is formed mainly by three-body gas-phase recombination. When the tube surface is covered by a high specific surface silica catalyst heterogeneous formation becomes the main source of ozone. The efficiency of this surface process increases with O2 pressure and is favoured by the presence of OH groups and adsorbed H2O on the surface. At p = 6.7 mbar ozone production accounts for up to 25% of the atomic oxygen losses on the surface.

Direct observation of ozone formation on SiO2 surfaces in O2 discharges

International Nuclear Information System (INIS)

Marinov, D; Guaitella, O; Booth, J P; Rousseau, A

2013-01-01

Ozone production is studied in a pulsed O 2 discharge at pressures in the range 1.3-6.7 mbar. Time-resolved absolute concentrations of O 3 and O are measured in the post-discharge using UV absorption spectroscopy and two-photon absorption laser-induced fluorescence. In a bare silica discharge tube ozone is formed mainly by three-body gas-phase recombination. When the tube surface is covered by a high specific surface silica catalyst heterogeneous formation becomes the main source of ozone. The efficiency of this surface process increases with O 2 pressure and is favoured by the presence of OH groups and adsorbed H 2 O on the surface. At p = 6.7 mbar ozone production accounts for up to 25% of the atomic oxygen losses on the surface.

LiNbO3 surfaces from a microscopic perspective

Science.gov (United States)

Sanna, Simone; Gero Schmidt, Wolf

2017-10-01

A large number of oxides has been investigated in the last twenty years as possible new materials for various applications ranging from opto-electronics to heterogeneous catalysis. In this context, ferroelectric oxides are particularly promising. The electric polarization plays a crucial role at many oxide surfaces, and it largely determines their physical and chemical properties. Ferroelectrics offer in addition the possibility to control/switch the electric polarization and hence the surface chemistry, allowing for the realization of domain-engineered nanoscale devices such as molecular detectors or highly efficient catalysts. Lithium niobate (LiNbO3) is a ferroelectric with a high spontaneous polarization, whose surfaces have a huge and largely unexplored potential. Owing to recent advances in experimental techniques and sample preparation, peculiar and exclusive properties of LiNbO3 surfaces could be demonstrated. For example, water films freeze at different temperatures on differently polarized surfaces, and the chemical etching properties of surfaces with opposite polarization are strongly different. More important, the ferroelectric domain orientation affects temperature dependent surface stabilization mechanisms and molecular adsorption phenomena. Various ab initio theoretical investigations have been performed in order to understand the outcome of these experiments and the origin of the exotic behavior of the lithium niobate surfaces. Thanks to these studies, many aspects of their surface physics and chemistry could be clarified. Yet other puzzling features are still not understood. This review gives a résumé on the present knowledge of lithium niobate surfaces, with a particular view on their microscopic properties, explored in recent years by means of ab initio calculations. Relevant aspects and properties of the surfaces that need further investigation are briefly discussed. The review is concluded with an outlook of challenges and potential payoff

Elevated tropospheric CO2 and O3 concentrations impair organic pollutant removal from grassland soil.

Science.gov (United States)

Ai, Fuxun; Eisenhauer, Nico; Jousset, Alexandre; Butenschoen, Olaf; Ji, Rong; Guo, Hongyan

2018-04-03

The concentrations of tropospheric CO 2 and O 3 have been rising due to human activities. These rising concentrations may have strong impacts on soil functions as changes in plant physiology may lead to altered plant-soil interactions. Here, the effects of eCO 2 and eO 3 on the removal of polycyclic aromatic hydrocarbon (PAH) pollutants in grassland soil were studied. Both elevated CO 2 and O 3 concentrations decreased PAH removal with lowest removal rates at elevated CO 2 and elevated O 3 concentrations. This effect was linked to a shift in soil microbial community structure by structural equation modeling. Elevated CO 2 and O 3 concentrations reduced the abundance of gram-positive bacteria, which were tightly linked to soil enzyme production and PAH degradation. Although plant diversity did not buffer CO 2 and O 3 effects, certain soil microbial communities and functions were affected by plant communities, indicating the potential for longer-term phytoremediation approaches. Results of this study show that elevated CO 2 and O 3 concentrations may compromise the ability of soils to degrade organic pollutants. On the other hand, the present study also indicates that the targeted assembly of plant communities may be a promising tool to shape soil microbial communities for the degradation of organic pollutants in a changing world.

Effect of Surface Roughness and Structure Features on Tribological Properties of Electrodeposited Nanocrystalline Ni and Ni/Al2O3 Coatings

Science.gov (United States)

Góral, Anna; Lityńska-Dobrzyńska, Lidia; Kot, Marcin

2017-05-01

Metal matrix composite coatings obtained by electrodeposition are one of the ways of improving the surfaces of materials to enhance their durability and properties required in different applications. This paper presents an analysis of the surface topography, microstructure and properties (residual stresses, microhardness, wear resistance) of Ni/Al2O3 nanocomposite coatings electrodeposited on steel substrates from modified Watt's-type baths containing various concentrations of Al2O3 nanoparticles and a saccharin additive. The residual stresses measured in the Ni/Al2O3 coatings decreased with an increasing amount of the co-deposited ceramics. It was established that the addition of Al2O3 powder significantly improved the coatings' microhardness. The wear mechanism changed from adhesive-abrasive to abrasive with a rising amount of Al2O3 particles and coating microhardness. Nanocomposite coatings also exhibited a lower coefficient of friction than that of a pure Ni-electrodeposited coating. The friction was found to depend on the surface roughness, and the smoother surfaces gave lower friction coefficients.

Ab Initio Calculations for the BaTiO3 (001) Surface Structure

Institute of Scientific and Technical Information of China (English)

XUE Xu-Yan; WANG Chun-Lei; ZHONG Wei-Lie

2004-01-01

@@ The ab initio method within the local density approximation is applied to calculate cubic BaTiO3 (001) surface relaxation and rumpling for two different terminations (BaO and TiO2). Our calculations demonstrate that cubic perovskite BaTiO3 crystals possess surface polarization, accompanied by the presence of the relevant electric field.We analyse their electronic structures (band structure, density of states and the electronic density redistribution with emphasis on the covalency effects). The results are also compared with that of the previous ab initio calculations. Considerable increases of Ti-O chemical bond covalency nearby the surface have been observed.The band gap reduces especially for the TiO2 termination.

Ultra-high sensitive substrates for surface enhanced Raman scattering, made of 3 nm gold nanoparticles embedded on SiO2 nanospheres

Science.gov (United States)

Phatangare, A. B.; Dhole, S. D.; Dahiwale, S. S.; Bhoraskar, V. N.

2018-05-01

The surface properties of substrates made of 3 nm gold nanoparticles embedded on SiO2 nanospheres enabled fingerprint detection of thiabendazole (TBZ), crystal violet (CV) and 4-Aminothiophenol (4-ATP) at an ultralow concentration of ∼10-18 M by surface enhanced Raman spectroscopy (SERS). Gold nanoparticles of an average size of ∼3 nm were synthesized and simultaneously embedded on SiO2 nanospheres by the electron irradiation method. The substrates made from the 3 nm gold nanoparticles embedded on SiO2 nanospheres were successfully used for recording fingerprint SERS spectra of TBZ, CV and 4-ATP over a wide range of concentrations from 10-6 M to 10-18 M using 785 nm laser. The unique features of these substrates are roughness near the surface due to the inherent structural defects of 3 nm gold nanoparticles, nanogaps of ≤ 1 nm between the embedded nanoparticles and their high number. These produced an abundance of nanocavities which act as active centers of hot-spots and provided a high electric field at the reporter molecules and thus an enhancement factor required to record the SERS spectra at ultra low concentration of 10-18 M. The SERS spectra recorded by the substrates of 4 nm and 6 nm gold nanoparticles are discussed.

A theoretical study of stability and vacancy replenishing of MoO{sub 3}(0 1 0) surfaces in oxygen atmosphere

Energy Technology Data Exchange (ETDEWEB)

Lei, Yan-Hua; Chen, Zhao-Xu, E-mail: zxchen@nju.edu.cn

2016-01-15

Graphical abstract: - Highlights: • Under normal experimental conditions perfect surface of MoO{sub 3}(0 1 0) is favorable. • Line defects along asymmetric oxygen direction in lean oxygen condition are favored. • Vacancy replenishing occurs on vacancies formed by terminal and asymmetrical oxygen. - Abstract: Oxygen vacancies on transition metal oxide surfaces are catalytically very important. The stability, shape and replenishing process of the vacancies are critical to understanding reactions happening on the surfaces. In this paper we investigate the stability of various defective MoO{sub 3}(0 1 0) surfaces and examine the influence of environmental oxygen on the stability as well as the active sites for the replenishing process. Our calculations reveal that the line oxygen defect along a (asymmetric oxygen) direction is thermodynamically most favorable at higher defect concentration whereas point defect surfaces are unfavorable. Under normal experimental conditions the perfect surface dominates the MoO{sub 3}(0 1 0). We show that for stoichiometric surfaces of any oxides (A{sub x}O{sub y}) the formation energy per vacancy controls the favorable defect shape (line or point defects). Calculations indicate that O{sub 2} can dissociate readily on the surfaces that double vacancies share one Mo atom. The replenishing process of the oxygen vacancies through O{sub 2} dissociation most likely occurs on the double-vacancy containing one terminal and one asymmetrical oxygen vacancies.

Surface modification of LiNbO3 and KTa1-xNbxO3 crystals irradiated by intense pulsed ion beam

Science.gov (United States)

Cui, Xiaojun; Shen, Jie; Zhong, Haowen; Zhang, Jie; Yu, Xiao; Liang, Guoying; Qu, Miao; Yan, Sha; Zhang, Xiaofu; Le, Xiaoyun

2017-10-01

In this work, we studied the surface modification of LiNbO3 and KTa1-xNbxO3 irradiated by intense pulsed ion beam, which was mainly composed of H+ (70%) and Cn+ (30%) at an acceleration voltage of about 450 kV. The surface morphologies, microstructural evolution and elemental analysis of the sample surfaces after IPIB irradiation have been analyzed by scanning electron microscope, atomic force microscope, X-ray diffraction and energy dispersive spectrometer techniques, respectively. The results show that the surface morphologies have significant difference impacted by the irradiation effect. Regular gully damages range from 200 to 400 nm in depth appeared in LiNbO3 under 2 J/cm2 energy density for 1 pulse, block cracking appeared in KTa1-xNbxO3 at the same condition. Surface of the crystals have melted and were darkened with the increasing number up to 5 pulses. Crystal lattice arrangement is believed to be the dominant reason for the different experimental results irradiated by intense pulsed ion beam.

Surface modeling and chemical solution deposition of SrO(SrTiO3)n Ruddlesden-Popper phases

International Nuclear Information System (INIS)

Zschornak, M.; Gemming, S.; Gutmann, E.; Weissbach, T.; Stoecker, H.; Leisegang, T.; Riedl, T.; Traenkner, M.; Gemming, T.; Meyer, D.C.

2010-01-01

Strontium titanate (STO) is a preferred substrate material for functional oxide growth, whose surface properties can be adjusted through the presence of Ruddlesden-Popper (RP) phases. Here, density functional theory (DFT) is used to model the (1 0 0) and (0 0 1) surfaces of SrO(SrTiO 3 ) n RP phases. Relaxed surface structures, electronic properties and stability relations have been determined. In contrast to pure STO, the near-surface SrO-OSr stacking fault can be employed to control surface roughness by adjusting SrO and TiO 2 surface rumpling, to stabilize SrO termination in an SrO-rich surrounding or to increase the band gap in the case of TiO 2 termination. RP thin films have been epitaxially grown on (0 0 1) STO substrates by chemical solution deposition. In agreement with DFT results, the fraction of particular RP phases n = 1-3 changes with varying heating rate and molar ratio Sr:Ti. This is discussed in terms of bulk formation energy.

Simulation of YBa{sub 2}Cu{sub 3}O{sub 7}/MgO surface growth

Energy Technology Data Exchange (ETDEWEB)

Mohammadizadeh, M.R. [Superconductivity Research Laboratory (SRL), Department of Physics, University of Tehran, North Karegar Ave., P.O. Box 14395-547, Tehran (Iran); Computational Physical Sciences Research Laboratory, Department of Nano-Science, Institute for Studies in Theoretical Physics and Mathematics (IPM), P.O. Box 19395-5531, Tehran (Iran); Safari, N.; Kia, M.; Savaloni, H. [Superconductivity Research Laboratory (SRL), Department of Physics, University of Tehran, North Karegar Ave., P.O. Box 14395-547, Tehran (Iran)

2006-09-15

For surface growth simulation of YBa{sub 2}Cu{sub 3}O{sub 7} on MgO substrate, binding energies between each two different Y, Ba, Cu, O, and Mg atoms were calculated by ab initio pseudopotential density functional theory approach. Then, simulation of YBa{sub 2}Cu{sub 3}O{sub 7} growth was performed by a simple two dimensional model based on the ballistic aggregation of hard discs. By increasing the substrate temperature, the atomic layers distribution is more condensed and the nanometric surface roughness decreases. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Growth and surface modification of LaFeO3 thin films induced by reductive annealing

International Nuclear Information System (INIS)

Flynn, Brendan T.; Zhang, Kelvin H.L.; Shutthanandan, Vaithiyalingam; Varga, Tamas; Colby, Robert J.; Oleksak, Richard P.; Manandhar, Sandeep; Engelhard, Mark H.; Chambers, Scott A.; Henderson, Michael A.; Herman, Gregory S.; Thevuthasan, Suntharampillai

2015-01-01

Highlights: • LaFeO 3 was grown by molecular beam epitaxy on ZrO 2 :Y 2 O 3 . • The film was highly oriented but not single crystalline. • Angle resolved XPS revealed differences between surface and bulk oxygen. • Annealing the film in vacuum resulted in the sequential reduction of Fe cations. • A greater degree of Fe reduction was found at the surface. - Abstract: The mixed electronic and ionic conductivity of perovskite oxides has enabled their use in diverse applications such as automotive exhaust catalysts, solid oxide fuel cell cathodes, and visible light photocatalysts. The redox chemistry at the surface of perovskite oxides is largely dependent on the oxidation state of the metal cations as well as the oxide surface stoichiometry. In this study, LaFeO 3 (LFO) thin films grown on yttria-stabilized zirconia (YSZ) was characterized using both bulk and surface sensitive techniques. A combination of in situ reflection high-energy electron diffraction (RHEED), X-ray diffraction (XRD), and Rutherford backscattering spectrometry (RBS) demonstrated that the film is primarily textured in the [1 0 0] direction and is stoichiometric. High-resolution transmission electron microscopy measurements show regions that are dominated by [1 0 0] oriented LFO grains that are oriented with respect to the substrates lattice. However, selected regions of the film show multiple domains of grains that are not [1 0 0] oriented. The film was annealed in an ultra-high vacuum chamber to simulate reducing conditions and studied by angle-resolved X-ray photoelectron spectroscopy (XPS). Iron was found to exist as Fe(0), Fe(II), and Fe(III) depending on the annealing conditions and the depth within the film. A decrease in the concentration of surface oxygen species was correlated with iron reduction. These results should help guide and enhance the design of LFO materials for catalytic applications

Formation and surface characterization of nanostructured Al2O3 ...

Indian Academy of Sciences (India)

Administrator

Page 1. Electronic Supplementary Material. Graphical abstract. Formation and surface characterization of nanostructured Al2O3–TiO2 coatings by Vairamuthu Raj and Mohamed Sirajudeen Mumjitha. (pp 1411–1418).

A First Principles Study of H2 Adsorption on LaNiO3(001 Surfaces

Directory of Open Access Journals (Sweden)

Changchang Pan

2017-01-01

Full Text Available The adsorption of H2 on LaNiO3 was investigated using density functional theory (DFT calculations. The adsorption sites, adsorption energy, and electronic structure of LaNiO3(001/H2 systems were calculated and indicated through the calculated surface energy that the (001 surface was the most stable surface. By looking at optimized structure, adsorption energy and dissociation energy, we found that there were three types of adsorption on the surface. First, H2 molecules completely dissociate and then tend to bind with the O atoms, forming two –OH bonds. Second, H2 molecules partially dissociate with the H atoms bonding to the same O atom to form one H2O molecule. These two types are chemical adsorption modes; however, the physical adsorption of H2 molecules can also occur. When analyzing the electron structure of the H2O molecule formed by the partial dissociation of the H2 molecule and the surface O atom, we found that the interaction between H2O and the (001 surface was weaker, thus, H2O was easier to separate from the surface to create an O vacancy. On the (001 surface, a supercell was constructed to accurately study the most stable adsorption site. The results from analyses of the charge population; electron localization function; and density of the states indicated that the dissociated H and O atoms form a typical covalent bond and that the interaction between the H2 molecule and surface is mainly due to the overlap-hybridization among the H 1s, O 2s, and O 2p states. Therefore, the conductivity of LaNiO3(001/H2 is stronger after adsorption and furthermore, the conductivity of the LaNiO3 surface is better than that of the LaFeO3 surface.

Surface passivation of n-type doped black silicon by atomic-layer-deposited SiO2/Al2O3 stacks

Science.gov (United States)

van de Loo, B. W. H.; Ingenito, A.; Verheijen, M. A.; Isabella, O.; Zeman, M.; Kessels, W. M. M.

2017-06-01

Black silicon (b-Si) nanotextures can significantly enhance the light absorption of crystalline silicon solar cells. Nevertheless, for a successful application of b-Si textures in industrially relevant solar cell architectures, it is imperative that charge-carrier recombination at particularly highly n-type doped black Si surfaces is further suppressed. In this work, this issue is addressed through systematically studying lowly and highly doped b-Si surfaces, which are passivated by atomic-layer-deposited Al2O3 films or SiO2/Al2O3 stacks. In lowly doped b-Si textures, a very low surface recombination prefactor of 16 fA/cm2 was found after surface passivation by Al2O3. The excellent passivation was achieved after a dedicated wet-chemical treatment prior to surface passivation, which removed structural defects which resided below the b-Si surface. On highly n-type doped b-Si, the SiO2/Al2O3 stacks result in a considerable improvement in surface passivation compared to the Al2O3 single layers. The atomic-layer-deposited SiO2/Al2O3 stacks therefore provide a low-temperature, industrially viable passivation method, enabling the application of highly n- type doped b-Si nanotextures in industrial silicon solar cells.

Studies on Gas Sensing Performance of Pure and Surface Modified SrTiO3 Thick Film Resistors

Directory of Open Access Journals (Sweden)

V. B. Gaikwad

2009-08-01

Full Text Available Strontium Titanate (SrTiO3 (ST was prepared mechanochemically from Sr(OH2 and TiO2. XRD confirms the Perovskite phase of material. Thick films of ST were prepared by screen-printing technique. The gas sensing performances of thick films were tested for various gases. It showed maximum sensitivity to CO gas at 350 oC for 100 ppm gas concentration. To improve the sensitivity and selectivity of the film towards a particular gas, ST thick films were surface modified by dipping them in a solution of nano copper for different intervals of time. These surface modified ST films showed larger sensitivity to H2S gas (100 ppm at 300 oC than pure ST film. A systematic study, of sensing performance of the sensor, indicates the key role-played by the nano copper species on the surface .The sensitivity, selectivity, response and recovery time of the sensor were measured and presented.

Synergistic impacts of anthropogenic and biogenic emissions on summer surface O3 in East Asia.

Science.gov (United States)

Qu, Yu; An, Junling; Li, Jian

2013-03-01

A factor separation technique and an improved regional air quality model (RAQM) were applied to calculate synergistic contributions of anthropogenic volatile organic compounds (AVOCs), biogenic volatile organic compounds (BVOCs) and nitrogen oxides (NOx) to daily maximum surface 03 (O3DM) concentrations in East Asia in summer (June to August 2000). The summer averaged synergistic impacts of AVOCs and NOx are dominant in most areas of North China, with a maximum of 60 ppbv, while those of BVOCs and NOx are notable only in some limited areas with high BVOC emissions in South China, with a maximum of 25 ppbv. This result implies that BVOCs contribute much less to summer averaged O3DM concentrations than AVOCs in most areas of East Asia at a coarse spatial resolution (1 degree x 1 degree) although global emissions of BVOCs are much greater than those of AVOCs. Daily maximum total contributions of BVOCs can approach 20 ppbv in North China, but they can reach 40 ppbv in South China, approaching or exceeding those in some developed countries in Europe and North America. BVOC emissions in such special areas should be considered when 03 control measures are taken. Synergistic contributions among AVOCs, BVOCs and NOx significantly enhance O3 concentrations in the Beijing-Tianjin-Tangshan region and decrease them in some areas in South China. Thus, the total contributions of BVOCs to O3DM vary significantly from day to day and from location to location. This result suggests that 03 control measures obtained from episodic studies could be limited for long-term applications.

Surface studies of YBa2Cu3O7-x -matching oxide substrates and interfaces

International Nuclear Information System (INIS)

Enevold Thaulov Andersen, J.

1990-11-01

Crystallographic changes as a result of heat-treatment at 700-900 deg. C are found for SrTiO 3 (100), MgO(100) and LaAlO 3 (100). The p(2x2) reconstruction of the SrTiO 3 (100) and the superstructures on MgO(100) and on LaAlO 3 (100) thus observed are suggested to be induced by segregation of impurities to the surface. The surface charge-effects which disturb electron- and photon-impact experiments with these insulators are removed by heat-treatments. Deposition of copper results in formation of copper islands on SrTiO 3 (100) and on LaAlO 3 (100). Yttrium forms islands on LaAlO 3 (100) and grows in a layer-by-layer mode on SrTiO 3 (100) and on MgO(100). An yttrium 1x1 epitaxy is observed on the MgO(100) surface, which is suggested to be an YO superstructure. Oxidation of the 1x1 Y/MgO(100) systems diminishes the charge-effects and improves all diffraction and spectroscopic measurements. This may be due to the formation of metallic states around the Fermi level when the film is oxidized. An in situ synthesized YBa 2 Cu 3 O 7 thin film on SrTiO 3 (100) compared to a thick epitaxial YBa 2 Cu 3 O 7-x (001) film on MgO(100) reveals differences in surface electronic structures but not in surface stoichiometries. (au) 18 refs

Fabrication of low adhesive superhydrophobic surfaces using nano Cu/Al2O3 Ni–Cr composited electro-brush plating

International Nuclear Information System (INIS)

Chen, Tianchi; Ge, Shirong; Liu, Hongtao; Sun, Qinghe; Zhu, Wei; Yan, Wei; Qi, Jianwei

2015-01-01

Highlights: • We fabricate a low adhesive superhydrophobic nano Cu/Al 2 O 3 composited Ni–Cr coating via brush plating. • We investigate the influence of process parameters on hydrophobic properties process. • We discuss the formation mechanism of structures on the surface and using water rebound height to explain the low adhesive force mechanism. - Abstract: Superhydrophobic nano Cu/Al 2 O 3 Ni–Cr composited coating with a low adhesive force was deposited onto the Q345 carbon steel via electro-brush plating. Surface morphologies of nano Cu/Al 2 O 3 Ni–Cr composited coating were investigated by scanning electron microscope (SEM). Chemical compositions were characterized by energy dispersive spectroscopy (EDS). First of all, by adjusting different process parameters such as working voltage, relative velocity, Cu particles concentration and plating time, we obtain the most optimal parameters: working voltage is 15 V, relative velocity is 4.8 m/min, Cu particles concentration is 5 g/L and plating time is 60 s. Under the best process parameters, the water contact angle reaches to 156° and a sliding angle is less than 2° on the nano Cu/Al 2 O 3 Ni–Cr coating. Then the mechanism of the superhydrophobic and low adhesion characteristic of this surface were explained by Cassie's model. Low adhesive force can be characterized by max rebound height of water droplet. As a result, to achieve low adhesive surface it is necessary to decrease the fraction of the solid/liquid interface under the water droplet. Finally the coating was proved to have an excellent self-cleaning performance.

Characterization of the intergrain and surface properties of Y1Ba2Cu3O7-x by Raman spectroscopy

International Nuclear Information System (INIS)

Erle, A.; Blumenroder, S.; Guntherodt, G.

1989-01-01

The intergrain region of polycrystalline YBa 2 Cu 3 O 7 - x has been identified by Raman spectroscopy as due to BaCuO 2 , which forms a coating of the grains. The oxygen concentration near the surface of single crystals (within ∼ 1000 Angstrom penetration depth of the light) is characterized by the intensity of the 590-cm - 1 oxygen vibration along the Cu-O chains

Effects of surface acidities of MCM-41 modified with MoO3 on adsorptive desulfurization of gasoline

International Nuclear Information System (INIS)

Shao Xinchao; Zhang Xiaotong; Yu Wenguang; Wu Yuye; Qin Yucai; Sun Zhaolin; Song Lijuan

2012-01-01

Highlights: ► The MoO 3 -MCM-41 samples prepared by spontaneous monolayer dispersion and impregnation with a different MoO 3 filling have been studied. ► The relative concentration of hydroxyl groups present on before and after containing MoO 3 samples was monitored by in situ FTIR to speculate the bonding style of MoO 3 and MCM-41. ► The surface acidities of the MoO 3 -MCM-41 adsorbents were investigated systematically and correlated with the desulfurization performance. - Abstract: A series of MCM-41 samples containing molybdenum oxide as active species in the mesoporous channels loaded by spontaneous monolayer dispersion (SMD) and impregnation (IM) have been prepared and characterized using XRD, N 2 adsorption–desorption analysis, Fourier transform infrared spectroscopy (FTIR) and intelligent gravimetric analyzer (IGA). The relative number of hydroxy on the adsorbents was investigated by in situ FTIR. Surface acidities of the adsorbents were studied by infrared spectroscopy of adsorbed pyridine and correlated with reactivity for adsorptive desulfurization. The IGA technique was employed to investigate adsorption behavior of thiophene and benzene on the adsorbents at 303 K. It is shown that MoO 3 can be highly dispersed up to 0.2 g g −1 in the MCM-41 channels by the SMD strategy with the ordered mesoporous structure of the MoMM samples remaining intact. The ordered mesostructure of MCM-41 is, however, destroyed at higher MoO 3 contents of 0.26 and 0.32 g g −1 with particle sizes of 1.2 nm and 3.6 nm, respectively, observed. For the MoMI(0.2) sample prepared by the IM method, the aggregation of the MoO 3 particles takes place with a particle size of 6.5 nm obtained. The results are also revealed that the dispersion extent of the MoO 3 species is related to the abundant surface hydroxy of MCM-41. The host species and guest species undergo solid-state reaction to form Si-O-Mo bonds in the mixtures which enhance both the Lewis acid and Brönsted acid of

Surface excess on MgO-doped TiO{sub 2} nanoparticles; Segregacao superficial de MgO em nanoparticulas de TiO{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Gouvea, D.; Viana, B.H.; Miagava, J., E-mail: dgouvea@usp.br, E-mail: bhernardov@gmail.com, E-mail: joice.mgv@gmail.com [Universidade de Sao Paulo (USP), SP (Brazil). Dept. de Engenharia Metalurgica e de Materiais. Lab. de Processos Ceramicos

2016-10-15

Anatase has been the subject of several recent investigations partly as consequence of its interesting catalytic properties. Additives such as MgO have been introduced to improve the performance of the photocatalytic TiO{sub 2}. However, the physical-chemistry of these oxides systems and their relationship with properties are poorly understood. In this work, nanoparticles of xMgO-(1-x)TiO{sub 2} (0≤ x≤ 0.05) were synthesized by the polymeric precursor method at 500 °C for 15 h. XRD results showed that only anatase phase was obtained and the crystallite size decreases with increased MgO concentration. Magnesia surface excess was calculated by washing powders with HNO{sub 3} and the soluble Mg ions concentration determined by chemical analysis. FTIR analysis confirms that the acid washing modified the particle surface. Therefore, it is proposed that the reduction of the crystallite size occurs due to segregation of MgO on TiO{sub 2} nanoparticles surfaces. (author)

Enhancement of electrochemical performance of LiNi_1_/_3Co_1_/_3Mn_1_/_3O_2 by surface modification with MnO_2

International Nuclear Information System (INIS)

Guo, Xin; Cong, Li-Na; Zhao, Qin; Tai, Ling-Hua; Wu, Xing-Long; Zhang, Jing-Ping; Wang, Rong-Shun; Xie, Hai-Ming; Sun, Li-Qun

2015-01-01

LiNi_1_/_3Co_1_/_3Mn_1_/_3O_2 is successfully coated with MnO_2 by a chemical deposition method. The X-ray diffraction (XRD), scanning electron microscope (SEM) and high resolution transmission electron microscope (HRTEM) results demonstrate that MnO_2 forms a thin layer on the surface of LiNi_1_/_3Co_1_/_3Mn_1_/_3O_2 without destroying the crystal structure of the core material. Compared with pristine LiNi_1_/_3Co_1_/_3Mn_1_/_3O_2, the MnO_2-coated sample shows enhanced electrochemical performance especially the rate capability. Even at a current density of 750 mA g"−"1, the discharge capacity of MnO_2-coated LiNi_1_/_3Co_1_/_3Mn_1_/_3O_2 is 155.15 mAh g"−"1, while that of the pristine electrode is only 132.84 mAh g"−"1 in the range of 2.5–4.5 V. The cyclic voltammetry (CV) and X-ray photoelectron spectroscopy (XPS) curves show that the MnO_2 coating layer reacts with Li"+ during cycling, which is responsible for the higher discharge capacity of MnO_2-coated LiNi_1_/_3Co_1_/_3Mn_1_/_3O_2. Electrochemical impedance spectroscopy (EIS) results confirmed that the MnO_2 coating layer plays an important role in reducing the charge transfer resistance on the electrolyte–electrode interfaces. - Highlights: • MnO_2 coated LiNi_1_/_3Co_1_/_3Mn_1_/_3O_2 cathode material is synthesized for the first time. • MnO_2 offers available sites for insertion of extracted lithium. • The preserved surface and crystal structures results in the improved kinetics.

Surface structures and dielectric response of ultrafine BaTiO3 particles

International Nuclear Information System (INIS)

Jiang, B.; Peng, J.L.; Bursill, L.A.

1998-01-01

Characteristic differences are observed for the dielectric response and microstructures of BaTiO 3 nanoscale fine powders prepared using sol gel (SG) and steric acid gel (SAG) methods. The former exhibit a critical size below which there is no paraelectric/ferroelectric phase transition whereas BaTiO 3 prepared via the SAG route remained cubic for all conditions. Atomic resolution images of both varieties showed a high density of interesting surface steps and facets. Computer simulated images of surface structure models showed that the outer (100) surface was typically a BaO layer and that at corners and ledges the steps are typically finished with Ba+2 ions; i.e. the surfaces and steps are Ba-rich. Otherwise the surfaces were typically clean and free of amorphous layers. The relationship between the observed surfaces structures and theoretical models for size effects on the dielectric properties is discussed. (authors)

On hole spectra at YBa2Cu3O7 surfaces

International Nuclear Information System (INIS)

Calandra, C.; Manghi, F.; Minerva, T.

1989-01-01

The author present a theoretical study of the modification of the one-hole spectra induced by the surface in YBa 2 Cu 3 O 7 . Basal plane surface terminated either with Ba or CuO planes are considered. Correlation effects are included by using a Hubbard model Hamiltonian and by calculating the self-energy in the low density approximation. The results indicate that both the main bands and the satellites are sensitive to the choice of the surface

Competing reactions of selected atmospheric gases on Fe3O4 nanoparticles surfaces.

Science.gov (United States)

Eltouny, N; Ariya, Parisa A

2014-11-14

Heterogeneous reactions on atmospheric aerosol surfaces are increasingly considered important in understanding aerosol-cloud nucleation and climate change. To understand potential reactions in polluted atmospheres, the co-adsorption of NO2 and toluene to magnetite (Fe3O4i.e. FeO·Fe2O3) nanoparticles at ambient conditions was investigated for the first time. The surface area, size distribution, and morphology of Fe3O4 nanoparticles were characterized by BET method and high-resolution transmission electron microscopy. Adsorption isotherms, collected by gas chromatography with flame ionization detection, showed that the presence of NO2 decreased the adsorption of toluene. The analyses of the surface chemical composition of Fe3O4 by X-ray photoelectron spectroscopy (XPS) reveal that, upon the addition of NO2, the surface is oxidized and a contribution at 532.5 ± 0.4 eV in the O1s spectrum appears, showing that NO2 likely competes with toluene by dissociating on Fe(2+) sites and forming NO3(-). Different competing effects were observed for oxidized Fe3O4; oxidation occurred when exposed solely to NO2, whereas, the mixture of toluene and NO2 resulted in a reduction of the surface i.e. increased Fe(2+)/Fe(3+). Analyses by time of flight secondary ion mass spectrometry further suggest toluene reacts with Fe(3+) sites forming oxygenated organics. Our results indicate that on reduced magnetite, NO2 is more reactive and competes with toluene; in contrast, on oxidized Fe3O4, toluene is more reactive. Because magnetite can assume a range of oxidation ratios in the environment, different competing interactions between pollutants like NO2 and toluene could influence atmospheric processes, namely, the formation of Fe(2+) and the formation of atmospheric oxidants.

Hydrogen Adsorption on Ga2O3 Surface: A Combined Experimental and Computational Study

Energy Technology Data Exchange (ETDEWEB)

Pan, Yun-xiang; Mei, Donghai; Liu, Chang-jun; Ge, Qingfeng

2011-05-03

In the present work, hydrogen adsorption on the Ga2O3 surfaces was investigated using Fourier transform infrared spectroscopy (FTIR) measurements and periodic density functional theory (DFT) calculations. Both the FTIR and DFT studies suggest that H2 dissociates on the Ga2O3 surfaces, producing OH and GaH species. The FTIR bands at 3730, 3700, 3630 and 3600 cm-1 are attributed to the vibration of the OH species whereas those at 2070 and 1990 cm-1 to the GaH species. The structures of the species detected in experiments are established through a comparison with the DFT calculated stretching frequencies. The O atom of the experimentally detected OH species is believed to originate from the surface O3c atom. On the other hand, the H atom that binds the coordinately unsaturated Ga atom results in the experimentally detected GaH species. Dissociation of H2 on the perfect Ga2O3 surface, with the formation of both OH and GaH species, is endothermic and has an energy barrier of 0.90 eV. In contrast, H2 dissociation on the defective Ga2O3 surface with oxygen vacancies, which mainly produces GaH species, is exothermic, with an energy barrier of 0.61 eV. Accordingly, presence of the oxygen vacancies promotes H2 dissociation and production of GaH species on the Ga2O3 surfaces. Higher temperatures are expected to favor oxygen vacancy creation on the Ga2O3 surfaces, and thereby benefit the production of GaH species. This analysis is consistent with the FTIR results that the bands assigned to GaH species become stronger at higher temperatures. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy.

A discussion about maximum uranium concentration in digestion solution of U3O8 type uranium ore concentrate

International Nuclear Information System (INIS)

Xia Dechang; Liu Chao

2012-01-01

On the basis of discussing the influence of single factor on maximum uranium concentration in digestion solution,the influence degree of some factors such as U content, H 2 O content, mass ratio of P and U was compared and analyzed. The results indicate that the relationship between U content and maximum uranium concentration in digestion solution was direct ratio, while the U content increases by 1%, the maximum uranium concentration in digestion solution increases by 4.8%-5.7%. The relationship between H 2 O content and maximum uranium concentration in digestion solution was inverse ratio, the maximum uranium concentration in digestion solution decreases by 46.1-55.2 g/L while H 2 O content increases by 1%. The relationship between mass ratio of P and U and maximum uranium concentration in digestion solution was inverse ratio, the maximum uranium concentration in digestion solution decreases by 116.0-181.0 g/L while the mass ratio of P and U increase 0.1%. When U content equals 62.5% and the influence of mass ratio of P and U is no considered, the maximum uranium concentration in digestion solution equals 1 578 g/L; while mass ratio of P and U equals 0.35%, the maximum uranium concentration decreases to 716 g/L, the decreased rate is 54.6%, so the mass ratio of P and U in U 3 O 8 type uranium ore concentrate is the main controlling factor. (authors)

Evaluation of surface energy state distribution and bulk defect concentration in DSSC photoanodes based on Sn, Fe, and Cu doped TiO{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Ako, Rajour Tanyi [Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link, BE1410, Negara (Brunei Darussalam); Ekanayake, Piyaisiri, E-mail: piyasiri.ekanayake@ubd.edu.bn [Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link, BE1410, Negara (Brunei Darussalam); Young, David James [Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link, BE1410, Negara (Brunei Darussalam); Institute of Materials Research and Engineering (IMRE), Agency for Science, Technology and Research -A*STAR, 3 Research Link, 117602 (Singapore); Faculty of Science, Health, Education and Engineering, University of the Sunshine Coast, Locked Bag 4, Maroochydore DC, Queensland, 4558 (Australia); Hobley, Jonathan [Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link, BE1410, Negara (Brunei Darussalam); Chellappan, Vijila [Institute of Materials Research and Engineering (IMRE), Agency for Science, Technology and Research - A*STAR, 3 Research Link, 117602 (Singapore); Tan, Ai Ling [Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link, BE1410, Negara (Brunei Darussalam); Gorelik, Sergey; Subramanian, Gomathy Sandhya [Institute of Materials Research and Engineering (IMRE), Agency for Science, Technology and Research - A*STAR, 3 Research Link, 117602 (Singapore); Lim, Chee Ming [Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link, BE1410, Negara (Brunei Darussalam)

2015-10-01

Graphical abstract: - Highlights: • The structural, optical and optoelectronic properties of 1 mol.% Fe, Sn and Cu doped TiO{sub 2} have been compared. • Transient lifetimes for pure TiO{sub 2} and Sn doped TiO{sub 2} were considerably shorter than Fe and Cu doped TiO{sub 2}. • A good correlation between the bulk defects and transient decay for the doped TiO{sub 2} powders was observed. • Photon to current conversion efficiency of DSSC based on the metal doped TiO{sub 2} were in order Sn-TiO{sub 2} > Cu-TiO{sub 2} > Pure >> Fe-TiO{sub 2}. • DSSC based on Fe doped photoanodes is limited by a high concentration of surface free holes observed at 433 nm. - Abstract: Electron transfer dynamics in the oxide layers of the working electrodes in both dye-sensitized solar cells and photocatalysts greatly influences their performance. A proper understanding of the distribution of surface and bulk energy states on/in these oxide layers can provide insights into the associated electron transfer processes. Metal ions like Iron (Fe), Copper (Cu) and Tin (Sn) doped onto TiO{sub 2} have shown enhanced photoactivity in these processes. In this work, the structural, optical and transient properties of Fe, Cu and Sn doped TiO{sub 2} nanocrystalline powders have been investigated and compared using EDX, Raman spectroscopy, X-ray Photoelectron spectroscopy (XPS), and Transient Absorption spectroscopy (TAS). Surface free energy states distributions were probed using Electrochemical Impedance spectroscopy (EIS) on Dye Sensitized Solar Cells (DSSC) based on the doped TiO{sub 2} photoanodes. Raman and XPS Ti2p{sub 3/2} peak shifts and broadening showed that the concentration of defects were in the order: Cu doped TiO{sub 2} > Fe doped TiO{sub 2} > Sn doped TiO{sub 2} > pure TiO{sub 2}. Nanosecond laser flash photolysis of Fe and Cu doped TiO{sub 2} indicated slower transient decay kinetics than that of Sn doped TiO{sub 2} or pure TiO{sub 2}. A broad absorption peak and fast

Surface potentials of (111), (110) and (100) oriented CeO{sub 2−x} thin films

Energy Technology Data Exchange (ETDEWEB)

Wardenga, Hans F.; Klein, Andreas, E-mail: aklein@surface.tu-darmstadt.de

2016-07-30

Highlights: • Fermi level, work function and ionization potential of CeO{sub 2} thin films determined. • The state of the surface is varied by different deposition conditions and post-deposition treatments. • The ionization potential varies more than 2 eV. This is much higher than for other oxide surfaces. • The Fermi level position varies only slightly upon surface oxidation and reduction. • A Ce{sup 3+} concentration of >10% remains on the most strongly oxidized surfaces. - Abstract: Differently oriented CeO{sub 2} thin films were prepared by radio frequency magnetron sputter deposition from a nominally undoped CeO{sub 2} target. (111), (110) and (100) oriented films were achieved by deposition onto Al{sub 2}O{sub 3}(0001)/Pt(111), MgO(110)/Pt(110) and SrTiO{sub 3}:Nb(100) substrates, respectively. Epitaxial growth is verified using X-ray diffraction analysis. The films were analyzed by in situ photoelectron spectroscopy to determine the ionization potential, work function, Fermi level position and Ce{sup 3+} concentration at the surface in dependence of crystal orientation, deposition conditions and post-deposition treatment in reducing and oxidizing atmosphere. We observed a very high variation of the work function and ionization potential of more than 2 eV for all surface orientations, while the Fermi level varies by only 0.3 eV within the energy gap. The work function generally decreases with increasing Ce{sup 3+} surface concentration but comparatively high Ce{sup 3+} concentrations remain even after strongly oxidizing treatments. This is related to the presence of subsurface oxygen vacancies.

Direct Observation of Surface Potential Distribution in Insulation Resistance Degraded Acceptor-Doped BaTiO3 Multilayered Ceramic Capacitors

Science.gov (United States)

Hong, Kootak; Lee, Tae Hyung; Suh, Jun Min; Park, Jae-Sung; Kwon, Hyung-Soon; Choi, Jaeho; Jang, Ho Won

2018-05-01

Insulation resistance (IR) degradation in BaTiO3 is a key issue for developing miniaturized multilayer ceramic capacitors (MLCCs) with high capacity. Despite rapid progress in BaTiO3-based MLCCs, the mechanism of IR degradation is still controversial. In this study, we demonstrate the Al doping effect on IR degradation behavior of BaTiO3 MLCCs by electrical measurements and scanning Kelvin probe microscopy (SKPM). As the Al doping concentration in BaTiO3 increases, IR degradation of MLCCs seems to be suppressed from electrical characterization results. However, SKPM results reveal that the conductive regions near the cathode become lager with Al doping after IR degradation. The formation of conducting regions is attributed to the migration of oxygen vacancies, which is the origin of IR degradation in BaTiO3, in dielectric layers. These results imply that acceptor doping in BaTiO3 solely cannot suppress the IR degradation in MLCC even though less asymmetric IR characteristics and IR degradation in MLCCs with higher Al doping concentration are observed from electrical characterization. Our results strongly suggest that observing the surface potential distribution in IR degraded dielectric layers using SKPM is an effective method to unravel the mechanism of IR degradation in MLCCs.

Surface passivation of Fe{sub 3}O{sub 4} nanoparticles with Al{sub 2}O{sub 3} via atomic layer deposition in a rotating fluidized bed reactor

Energy Technology Data Exchange (ETDEWEB)

Duan, Chen-Long; Deng, Zhang; Cao, Kun [State Key Laboratory of Digital Manufacturing Equipment and Technology, School of Mechanical Science and Engineering, Huazhong University of Science and Technology, 1037 Luoyu Road, Wuhan, Hubei 430074 (China); Yin, Hong-Feng [Ningbo Institute of Material Technology and Engineering, Chinese Academy of Sciences, Ningbo, Zhejiang 315201 (China); Shan, Bin [State Key Laboratory of Material Processing and Die and Mould Technology, School of Materials Science and Engineering, Huazhong University of Science and Technology, 1037 Luoyu Road, Wuhan, Hubei 430074 (China); Chen, Rong, E-mail: rongchen@mail.hust.edu.cn [State Key Laboratory of Digital Manufacturing Equipment and Technology, School of Mechanical Science and Engineering, School of Optical and Electronic Information, Huazhong University of Science and Technology, 1037 Luoyu Road, Wuhan, Hubei 430074 (China)

2016-07-15

Iron(II,III) oxide (Fe{sub 3}O{sub 4}) nanoparticles have shown great promise in many magnetic-related applications such as magnetic resonance imaging, hyperthermia treatment, and targeted drug delivery. Nevertheless, these nanoparticles are vulnerable to oxidation and magnetization loss under ambient conditions, and passivation is usually required for practical applications. In this work, a home-built rotating fluidized bed (RFB) atomic layer deposition (ALD) reactor was employed to form dense and uniform nanoscale Al{sub 2}O{sub 3} passivation layers on Fe{sub 3}O{sub 4} nanoparticles. The RFB reactor facilitated the precursor diffusion in the particle bed and intensified the dynamic dismantling of soft agglomerates, exposing every surface reactive site to precursor gases. With the aid of in situ mass spectroscopy, it was found that a thicker fluidization bed formed by larger amount of particles increased the residence time of precursors. The prolonged residence time allowed more thorough interactions between the particle surfaces and the precursor gas, resulting in an improvement of the precursor utilization from 78% to nearly 100%, even under a high precursor feeding rate. Uniform passivation layers around the magnetic cores were demonstrated by both transmission electron microscopy and the statistical analysis of Al mass concentrations. Individual particles were coated instead of the soft agglomerates, as was validated by the specific surface area analysis and particle size distribution. The results of thermogravimetric analysis suggested that 5 nm-thick ultrathin Al{sub 2}O{sub 3} coatings could effectively protect the Fe{sub 3}O{sub 4} nanoparticles from oxidation. The x-ray diffraction patterns also showed that the magnetic core crystallinity of such passivated nanoparticles could be well preserved under accelerated oxidation conditions. The precise thickness control via ALD maintained the saturation magnetization at 66.7 emu/g with a 5 nm-thick Al

Dependence of the up-conversion emission of Li+ co-doped Y2O3:Er3+ films with dopant concentration

International Nuclear Information System (INIS)

Meza-Rocha, A.N.; Huerta, E.F.; Caldiño, U.; Carmona-Téllez, S.; Bettinelli, M.; Speghini, A.; Pelli, S.; Righini, G.C.

2015-01-01

The effect of dopant concentration on the up-conversion emission, and in particular on the Er 3+ related green and red emissions of spray pyrolysis deposited films of Y 2 O 3 :Er 3+ co-doped with Li + , is reported. Er 3+ concentrations in the films in the range of 1.1–5.6 at% (1.5–14 at% Er 3+ in the spraying solution) were studied, as well as the effect of co-doping them with Li + . Large concentrations of Er 3+ favor the red emission, especially for contents higher than 10 at% in the spraying solution. Li + co-doping improves the green and red emissions up to 365 and 171 times, respectively, depending on the Er 3+ and Li + concentrations. - Highlights: Up-converting Y 2 O 3 :Er 3+ and Y 2 O 3 :Er 3+ , Li + films were deposited by spray pyrolysis. The effect of Li + co-doping on the green and red UC Er 3+ emission is reported. Li + co-doping improves the green and red emission up to 365 and 171 times

Luminescence study on Eu3+ doped Y2O3 nanoparticles: particle size, concentration and core-shell formation effects

International Nuclear Information System (INIS)

Singh, L Robindro; Ningthoujam, R S; Sudarsan, V; Srivastava, Iti; Singh, S Dorendrajit; Dey, G K; Kulshreshtha, S K

2008-01-01

Nanoparticles of Eu 3+ doped Y 2 O 3 (core) and Eu 3+ doped Y 2 O 3 covered with Y 2 O 3 shell (core-shell) are prepared by urea hydrolysis for 3 h in ethylene glycol medium at a relatively low temperature of 140 deg. C, followed by heating at 500 and 900 deg. C. Particle sizes determined from x-ray diffraction and transmission electron microscopic studies are 11 and 18 nm for 500 and 900 deg. C heated samples respectively. Based on the luminescence studies of 500 and 900 deg. C heated samples, it is confirmed that there is no particle size effect on the peak positions of Eu 3+ emission, and optimum luminescence intensity is observed from the nanoparticles with a Eu 3+ concentration of 4-5 at.%. A luminescence study establishes that the Eu 3+ environment in amorphous Y (OH) 3 is different from that in crystalline Y 2 O 3 . For a fixed concentration of Eu 3+ doping, there is a reduction in Eu 3+ emission intensity for core-shell nanoparticles compared to that of core nanoparticles, and this has been attributed to the concentration dilution effect. Energy transfer from the host to Eu 3+ increases with increase of crystallinity

Solubility of NaNd(CO3)2.6H2O(c) in concentrated Na2CO3 and NaHCO3 solutions

International Nuclear Information System (INIS)

Rao, L.; Rai, D.; Felmy, A.R.; Fulton, R.W.; Novak, C.F.

1996-01-01

NaNd(CO 3 ) 2 x 6 H 2 O(c) was identified to be the final equilibrium solid phase in suspensions containing concentrated sodium carbonate (0.1 to 2.0 M) and sodium bicarbonate (0.1 to 1.0 M), with either NaNd(CO 3 ) 2 x 6 H 2 O(c) or Nd 2 (CO 3 ) 3 x xH 2 O(s) as initial solids. A thermodynamic model, based on Pitzer's specific into-interaction approach, was developed to interpret the solubility of NaNd(CO 3 ) 2 x 6 H 2 O(c) as functions of sodium carbonate and sodium bicarbonate concentrations. In this model, the solubility data of NaNd(CO 3 ) 2 x 6 H 2 O(c) were explained by assuming the formation of NdCO 3 + , Nd(CO 3 ) 2 - and Nd(CO 3 ) 3 3- species and invoking the specific ion interactions between Na + and Nd(CO 3 ) 3 3- . Ion interaction parameters for Na + -Nd(CO 3 ) 3 3- were developed to fit the solubility data. Based on the model calculations, Nd(CO 3 ) 3 3- was the predominant aqueous neodymium species in 0.1 to 2 M sodium carbonate and 0.1 to 1 M sodium bicarbonate solutions. The logarithm of the NaNd(CO 3 ) 2 x 6 H 2 O solubility product (NaNd(CO 3 ) 2 x 6 H 2 O(c)=Na + +Nd 3+ +2 CO 3 2- +6 H 2 O) was calculated to be -21.39. This model also provided satisfactory interpretation of the solubility data of the analogous Am(III) system in less concentrated carbonate and bicarbonate solutions. (orig.)

Theoretical investigation of the Fermi surfaces of La2-xSrxCuO4 and YBa2Cu3O7

International Nuclear Information System (INIS)

Antonov, V.N.; Antonov, Vl.N.; Bar'yakhtar, V.G.; Baglyuk, A.I.; Maksimov, E.G.; Nemoshkalenko, V.V.; Perlov, A.Ya.; Savrasov, S.Yu.; Uspenskii, Yu.A.

1989-01-01

A theoretical investigation is made of the shape of the Fermi surface and of the constant-energy surfaces near the Fermi energy of the La 2-x Sr x CuO 4 and YBa 2 Cu 3 O 7 oxides by a self-consistent linear muffin-tin orbital method in the atomic sphere approximation (OMTO-ASA). It is shown that the Fermi surfaces of these compounds are strongly two-dimensional. The Fermi surface of La 2-x Sr x CuO 4 is a corrugated rounded box centered at the point Λ. The Fermi surface of YBa 2 Cu 3 O 7 consists of four sheets: an electron cushion at the point Λ and three nested hole surfaces centered at the point S. The electron cushion and one of the hole surfaces are strongly corrugated along the z direction. The theoretically calculated Fermi surfaces of La 2 CuO 4 and YBa 2 Cu 3 O 7 are compared with the experimental data on electron-positron annihilation

Optimization of artificial neural network models through genetic algorithms for surface ozone concentration forecasting.

Science.gov (United States)

Pires, J C M; Gonçalves, B; Azevedo, F G; Carneiro, A P; Rego, N; Assembleia, A J B; Lima, J F B; Silva, P A; Alves, C; Martins, F G

2012-09-01

This study proposes three methodologies to define artificial neural network models through genetic algorithms (GAs) to predict the next-day hourly average surface ozone (O(3)) concentrations. GAs were applied to define the activation function in hidden layer and the number of hidden neurons. Two of the methodologies define threshold models, which assume that the behaviour of the dependent variable (O(3) concentrations) changes when it enters in a different regime (two and four regimes were considered in this study). The change from one regime to another depends on a specific value (threshold value) of an explanatory variable (threshold variable), which is also defined by GAs. The predictor variables were the hourly average concentrations of carbon monoxide (CO), nitrogen oxide, nitrogen dioxide (NO(2)), and O(3) (recorded in the previous day at an urban site with traffic influence) and also meteorological data (hourly averages of temperature, solar radiation, relative humidity and wind speed). The study was performed for the period from May to August 2004. Several models were achieved and only the best model of each methodology was analysed. In threshold models, the variables selected by GAs to define the O(3) regimes were temperature, CO and NO(2) concentrations, due to their importance in O(3) chemistry in an urban atmosphere. In the prediction of O(3) concentrations, the threshold model that considers two regimes was the one that fitted the data most efficiently.

Spatial distribution of ground-level urban background O3 concentrations in the Metropolitan Area of Buenos Aires, Argentina

International Nuclear Information System (INIS)

Pineda Rojas, Andrea L.; Venegas, Laura E.

2013-01-01

In this work, a recently developed urban-scale atmospheric dispersion model (DAUMOD-GRS) is applied to evaluate the ground-level ozone (O 3 ) concentrations resulting from anthropogenic area sources of NO x and VOC in the Metropolitan Area of Buenos Aires (MABA). The statistical comparison of model results with observations (including new available data from seventeen sites) shows a good model performance. Estimated summer highest diurnal O 3 1-h concentrations in the MABA vary between 15 ppb in the most urbanised area and 53 ppb in the suburbs. All values are below the air quality standard. Several runs are performed to evaluate the impact of possible future emission reductions on O 3 concentrations. Under all hypothetical scenarios, the maximum diurnal O 3 1-h concentration obtained for the area is slightly reduced (up to 4%). However, maximum diurnal O 3 concentrations could increase at some less urbanised areas of MABA depending on the relative reductions of the emissions of NO x and VOC. -- Highlights: ► A recently developed air quality model reproduces well observed O 3 levels in MABA. ► Modelled summer maximum diurnal O 3 concentrations vary in the area between 15 and 53 ppb. ► All hourly values are below the air quality standard (120 ppb). ► Possible future emission reductions would have small impact on the highest level. -- The distribution of summer maximum diurnal ground-level O 3 concentrations in the Metropolitan Area of Buenos Aires is evaluated applying a recently developed simple urban air quality model

Influence of THFA on the surface area and porosity of U3O8 kernel of produced by external gelation process

International Nuclear Information System (INIS)

Susilowati, Sri Rinanti; Triyono; Nawangsih, Endang; Widiyati, Sri

2013-01-01

The research of the influence of THFA on the surface area and porosity of U 3 O 8 by kernel external gelation results has done. U 3 0 8 kernel made by external gelation process using uranyl nitrate solution with various concentration of THFA in sol solution. UN solution preparation by dissolving UO 3 powder into 7N HNO 3 at a temperature of 60 °C with a certain amount and volume, resulting in a solution of uranyl nitrate with high uranium concentrations but low acidity. Preparation of sol begins by dissolving 1.8 9 of polyvinyl alcohol in demineralized water at 70 °C, the volume varied tetrahydrofurfural alcohol, then added a solution of UN stirring constantly until homogeneous. Sol solution was then dripped in 7N ammonia in the medium gelation column. Gel ADU diaging in ammonia solution 7N for 30 minutes, then washed with ammonia 2.5% and n propanol. ADU gel diameter was measured using calipers. ADU silenced gel at room temperature 48 hours and then dried in an oven 100 °C at a rate of temperature rising 5°C/minutes. After drying, the gel ADU calcined at 600°C with an increase rate of 5°C/minutes for 2 hours. Kernel density U 3 O 8 then analyzed, surface area, mean pore radius and total pore volume. U 3 O 8 best kernel at 2.5% THFA concentration conditions, because it has a high density is 7.877 g/mL and extensive porosity and lower surface area is 5,180 % and 4,898 m 2 /g. (author)

Sorption of U(VI) in surfaces of SrTiO3

International Nuclear Information System (INIS)

Ortiz O, H.B.; Ordonez R, E.; Fernandez V, S.M.

2004-01-01

In this work is presented the physico chemical characterization and evaluation of those surface properties and of sorption of U on the SrTiO 3 like possible candidate for contention barrier in the deep geological confinement. The made studies showed that the SrTiO 3 presents maximum levels of sorption of positive nature species (mainly UO 2 2+ and UO 2 NO 3 + ). (Author)

Manufacturing and investigation of surface morphology and optical properties of composite thin films reinforced by TiO2, Bi2O3 and SiO2 nanoparticles

Science.gov (United States)

Jarka, Paweł; Tański, Tomasz; Matysiak, Wiktor; Krzemiński, Łukasz; Hajduk, Barbara; Bilewicz, Marcin

2017-12-01

The aim of submitted paper is to present influence of manufacturing parameters on optical properties and surface morphology of composite materials with a polymer matrix reinforced by TiO2 and SiO2 and Bi2O3 nanoparticles. The novelty proposed by the authors is the use of TiO2 and SiO2 and Bi2O3 nanoparticles simultaneously in polymeric matrix. This allows using the combined effect of nanoparticles to a result composite material. The thin films of composite material were prepared by using spin-coating method with various spinning rates from solutions of different concentration of nanoparticles. In order to prepare the spinning solution polymer, Poly(methyl methacrylate) (PMMA) was used as a matrix. The reinforcing phase was the mixture of the nanoparticles of SiO2, TiO2 and B2O3. In order to identify the surface morphology of using thin films and arrangement of the reinforcing phase Atomic Force Microscope (AFM) and Scanning Electron Microscope (SEM) were used. In order to study the optical properties of the obtained thin films, the thin films of composites was subjected to an ellipsometry analysis. The measurements of absorbance of the obtained materials, from which the value of the band gap width was specified, were carried out using the UV/VIS spectroscopy. The optical properties of obtain composite thin films depend not only on the individual components used, but also on the morphology and the interfacial characteristics. Controlling the participation of three kinds of nanoparticles of different sizes and optical parameters allows to obtaining the most optimal optical properties of nanocomposites and also controlling the deposition parameters allows to obtaining the most optimal surface morphology of nanocomposites.

Theoretical studies of arsenite adsorption and its oxidation mechanism on a perfect TiO 2 anatase (1 0 1) surface

Science.gov (United States)

Wei, Zhigang; Zhang, Shaowen; Pan, Zhanchang; Liu, Yue

2011-11-01

There are many areas in the world where the ground water has been contaminated by arsenic. TiO2 is one of the most promising materials that can remove arsenic from groundwater supplies by the adsorption-based processes. The TiO2 surface is capable of photo-catalytic oxidation (PCO) changing the arsenite [As(III)] to arsenate [As(V)] which is more easily absorbed by the surface, increasing the efficiency of the process. In this paper, a density functional theory calculation has been performed to investigate the adsorption of As(III) on a perfect TiO2 anatase (1 0 1) surface. All the As(III) solution species such as H3AsO3, H2AsO3-, HAsO32- and AsO33- are put onto the surface with many different possible attitudes to obtain the adsorption energy. Based on the adsorption energy and the concentration of H3AsO3, H2AsO3-, HAsO32- and AsO33- in an aqueous solution, the bidentate binuclear (BB) adsorption configurations of H2AsO3- on the surface are more favorable at low As(III) concentrations, whereas BB form and monodentate mononuclear (MM) form may coexist at higher concentrations. By calculating H2AsO3- co-adsorption with water and oxygen, we can confirm the deep acceptor character of an adsorbed O2 molecule which implies that surface superoxide (or hydroperoxyl radical) plays an important role during the PCO process of As(III) on TiO2 surface.

Effect of Al_2O_3 Nanoparticles Additives on the Density, Saturated Vapor Pressure, Surface Tension and Viscosity of Isopropyl Alcohol

Science.gov (United States)

Zhelezny, Vitaly; Geller, Vladimir; Semenyuk, Yury; Nikulin, Artem; Lukianov, Nikolai; Lozovsky, Taras; Shymchuk, Mykola

2018-03-01

This paper presents results of an experimental study of the density, saturated vapor pressure, surface tension and viscosity of Al_2O_3 nanoparticle colloidal solutions in isopropyl alcohol. Studies of the thermophysical properties of nanofluids were performed at various temperatures and concentrations of Al_2O_3 nanoparticles. The paper gives considerable attention to a turbidimetric analysis of the stability of nanofluid samples. Samples of nanofluids remained stable over the range of parameters of the experiments, ensuring the reliability of the thermophysical property data for the Al_2O_3 nanoparticle colloidal solutions in isopropyl alcohol. The studies show that the addition of Al_2O_3 nanoparticles leads to an increase of the density, saturated vapor pressure and viscosity, as well as a decrease for the surface tension of isopropyl alcohol. The information reported in this paper on the various thermophysical properties for the isopropyl alcohol/Al_2O_3 nanoparticle model system is useful for the development of thermodynamically consistent models for predicting properties of nanofluids and correct modeling of the heat exchange processes.

Surface morphology of Al0.3Ga0.7N/Al2O3-high electron mobility transistor structure.

Science.gov (United States)

Cörekçi, S; Usanmaz, D; Tekeli, Z; Cakmak, M; Ozçelik, S; Ozbay, E

2008-02-01

We present surface properties of buffer films (AIN and GaN) and Al0.3Gao.zN/Al2O3-High Electron Mobility Transistor (HEMT) structures with/without AIN interlayer grown on High Temperature (HT)-AIN buffer/Al2O3 substrate and Al2O3 substrate. We have found that the GaN surface morphology is step-flow in character and the density of dislocations was about 10(8)-10(9) cm(-2). The AFM measurements also exhibited that the presence of atomic steps with large lateral step dimension and the surface of samples was smooth. The lateral step sizes are in the range of 100-250 nm. The typical rms values of HEMT structures were found as 0.27, 0.30, and 0.70 nm. HT-AIN buffer layer can have a significant impact on the surface morphology of Al0.3Ga0.7N/Al2O3-HEMT structures.

Fabrication of low adhesive superhydrophobic surfaces using nano Cu/Al{sub 2}O{sub 3} Ni–Cr composited electro-brush plating

Energy Technology Data Exchange (ETDEWEB)

Chen, Tianchi [College of Mechanical & Electrical Engineering, Xu Zhou 221116 (China); Ge, Shirong [College of Mechanical & Electrical Engineering, Xu Zhou 221116 (China); College of Materials Science and Engineering, China University of Mining and Technology, Xu Zhou 221116 (China); Liu, Hongtao, E-mail: liuht100@126.com [College of Materials Science and Engineering, China University of Mining and Technology, Xu Zhou 221116 (China); Sun, Qinghe; Zhu, Wei; Yan, Wei; Qi, Jianwei [College of Materials Science and Engineering, China University of Mining and Technology, Xu Zhou 221116 (China)

2015-11-30

Highlights: • We fabricate a low adhesive superhydrophobic nano Cu/Al{sub 2}O{sub 3} composited Ni–Cr coating via brush plating. • We investigate the influence of process parameters on hydrophobic properties process. • We discuss the formation mechanism of structures on the surface and using water rebound height to explain the low adhesive force mechanism. - Abstract: Superhydrophobic nano Cu/Al{sub 2}O{sub 3} Ni–Cr composited coating with a low adhesive force was deposited onto the Q345 carbon steel via electro-brush plating. Surface morphologies of nano Cu/Al{sub 2}O{sub 3} Ni–Cr composited coating were investigated by scanning electron microscope (SEM). Chemical compositions were characterized by energy dispersive spectroscopy (EDS). First of all, by adjusting different process parameters such as working voltage, relative velocity, Cu particles concentration and plating time, we obtain the most optimal parameters: working voltage is 15 V, relative velocity is 4.8 m/min, Cu particles concentration is 5 g/L and plating time is 60 s. Under the best process parameters, the water contact angle reaches to 156° and a sliding angle is less than 2° on the nano Cu/Al{sub 2}O{sub 3} Ni–Cr coating. Then the mechanism of the superhydrophobic and low adhesion characteristic of this surface were explained by Cassie's model. Low adhesive force can be characterized by max rebound height of water droplet. As a result, to achieve low adhesive surface it is necessary to decrease the fraction of the solid/liquid interface under the water droplet. Finally the coating was proved to have an excellent self-cleaning performance.

Synthesis of MgO nanoparticle loaded mesoporous Al2O3 and its defluoridation study

International Nuclear Information System (INIS)

Dayananda, Desagani; Sarva, Venkateswara R.; Prasad, Sivankutty V.; Arunachalam, Jayaraman; Parameswaran, Padmanabhan; Ghosh, Narendra N.

2015-01-01

Highlights: • Simple and cost effective preparation of MgO nanoparticles loaded mesoporous Al 2 O 3 . • Adsorbents possess high surface area and mesoporous structure. • Higher fluoride removal capacity of MgO loaded Al 2 O 3 than that of pure Al 2 O 3 . • Faster fluoride adsorption kinetics of MgO loaded Al 2 O 3 from water. - Abstract: MgO nanoparticle loaded mesoporous alumina has been synthesized using a simple aqueous solution based cost effective method for removal of fluoride from water. Wide angle powder X-ray diffraction, nitrogen adsorption desorption analysis, transmission electron microscopy techniques and energy dispersive X-ray spectroscopy were used to characterize the synthesized adsorbents. Synthesized adsorbents possess high surface area with mesoporous structure. The adsorbents have been thoroughly investigated for the adsorption of F − using batch adsorption method. MgO nanoparticle loading on mesoporous Al 2 O 3 enhances the F − adsorption capacity of Al 2 O 3 from 56% to 90% (initial F − concentration = 10 mg L −1 ). Kinetic study revealed that adsorption kinetics follows the pseudo-second order model, suggesting the chemisorption mechanism. The F − adsorption isotherm data was explained by both Langmuir and Freundlich model. The maximum adsorption capacity of 40MgO@Al 2 O 3 was 37.35 mg g −1 . It was also observed that, when the solutions having F − concentration of 5 mg L −1 and 10 mg L −1 was treated with 40MgO@Al 2 O 3 , the F − concentration in treated water became <1 mg L −1 , which is well below the recommendation of WHO

Graphene assisted effective hole-extraction on In2O3:H/CH3NH3PbI3 interface: Studied by modulated surface spectroscopy

Science.gov (United States)

Vinoth Kumar, Sri Hari Bharath; Muydinov, Ruslan; Kol'tsova, Tat‘yana; Erfurt, Darja; Steigert, Alexander; Tolochko, Oleg; Szyszka, Bernd

2018-01-01

Charge separation in CH3NH3PbI3 (MAPbI3) films deposited on a hydrogen doped indium oxide (In2O3:H) photoelectrode was investigated by modulated surface photovoltage (SPV) spectroscopy in a fixed capacitor arrangement. It was found that In2O3:H reproducibly extracts photogenerated-holes from MAPbI3 films. The oxygen-plasma treatment of the In2O3:H surface is suggested to be a reason for this phenomenon. Introducing graphene interlayer increased charge separation nearly 6 times as compared to that on the In2O3:H/MAPbI3 interface. Furthermore, it is confirmed by SPV spectroscopy that the defects of the MAPbI3 interface are passivated by graphene.

On possibility of BaCeO3 production when depositing YBa2Cu3O7-χ films on a cerium oxide surface

International Nuclear Information System (INIS)

Mashtakov, A.D.; Kotelyanskij, I.M.; Luzanov, V.A.; Mozhaev, P.B.; Ovsyannikov, G.A.; Bdikin, I.D.

1997-01-01

Consideration is given to experimental results of investigation into crystallographic parameters of hetero-structural (1102)Al 2 O 3 /(001)CeO 2 (001)YBa 2 Cu 3 O 7-χ films, prepared by the method of cathode sputtering at substrate temperature, equal to 600-800 deg C. It is shown that main limitation for precipitation temperature of YBa 2 Cu 3 O 7-χ film on CeO 2 surface is caused by chemical interaction of YBa 2 Cu 3 O 7-χ with CeO 2 with formation of polycrystalline BaCeO 3 layer

Determination of Gd concentration profile in UO{sub 2}–Gd{sub 2}O{sub 3} fuel pellets

Energy Technology Data Exchange (ETDEWEB)

Tobia, D., E-mail: dina.tobia@cab.cnea.gov.ar [Laboratorio de Resonancias Magnéticas, Centro Atómico Bariloche – CNEA and CONICET, 8400 S.C. de Bariloche (Argentina); Winkler, E.L.; Milano, J.; Butera, A. [Laboratorio de Resonancias Magnéticas, Centro Atómico Bariloche – CNEA and CONICET, 8400 S.C. de Bariloche (Argentina); Kempf, R. [División Caracterización de Combustibles Avanzados, Gerencia Ciclo Combustible Nuclear, Centro Atómico Constituyentes – CNEA, 1650 San Martín, Pcia. de Buenos Aires (Argentina); Bianchi, L.; Kaufmann, F. [Departamento de Combustibles Avanzados, Gerencia Ciclo Combustible Nuclear, Centro Atómico Constituyentes – CNEA, 1650 San Martín, Pcia. de Buenos Aires (Argentina)

2014-08-01

A transversal mapping of the Gd concentration was measured in UO{sub 2}–Gd{sub 2}O{sub 3} nuclear fuel pellets by electron paramagnetic resonance spectroscopy (EPR). The quantification was made from the comparison with a Gd{sub 2}O{sub 3} reference sample. The nominal concentration in the pellets is UO{sub 2}: 7.5% Gd{sub 2}O{sub 3}. A concentration gradient was found, which indicates that the Gd{sub 2}O{sub 3} amount diminishes towards the edges of the pellets. The concentration varies from (9.3 ± 0.5)% in the center to (5.8 ± 0.3)% in one of the edges. The method was found to be particularly suitable for the precise mapping of the distribution of Gd{sup 3+} ions in the UO{sub 2} matrix.

Most probable number methodology for quantifying dilute concentrations and fluxes of Escherichia coli O157:H7 in surface waters.

Science.gov (United States)

Jenkins, M B; Endale, D M; Fisher, D S; Gay, P A

2009-02-01

To better understand the transport and enumeration of dilute densities of Escherichia coli O157:H7 in agricultural watersheds, we developed a culture-based, five tube-multiple dilution most probable number (MPN) method. The MPN method combined a filtration technique for large volumes of surface water with standard selective media, biochemical and immunological tests, and a TaqMan confirmation step. This method determined E. coli O157:H7 concentrations as low as 0.1 MPN per litre, with a 95% confidence level of 0.01-0.7 MPN per litre. Escherichia coli O157:H7 densities ranged from not detectable to 9 MPN per litre for pond inflow, from not detectable to 0.9 MPN per litre for pond outflow and from not detectable to 8.3 MPN per litre for within pond. The MPN methodology was extended to mass flux determinations. Fluxes of E. coli O157:H7 ranged from 10(4) MPN per hour. This culture-based method can detect small numbers of viable/culturable E. coli O157:H7 in surface waters of watersheds containing animal agriculture and wildlife. This MPN method will improve our understanding of the transport and fate of E. coli O157:H7 in agricultural watersheds, and can be the basis of collections of environmental E. coli O157:H7.

Effects of surface acidities of MCM-41 modified with MoO{sub 3} on adsorptive desulfurization of gasoline

Energy Technology Data Exchange (ETDEWEB)

Shao Xinchao, E-mail: sxc86@yahoo.cn [Key Laboratory of Petrochemical Catalytic Science and Technology, Liaoning ShiHua University, Fushun 113001 (China); Zhang Xiaotong; Yu Wenguang; Wu Yuye [Key Laboratory of Petrochemical Catalytic Science and Technology, Liaoning ShiHua University, Fushun 113001 (China); Qin Yucai [Key Laboratory of Petrochemical Catalytic Science and Technology, Liaoning ShiHua University, Fushun 113001 (China); College of Chemistry and Chemical Engineering, China University of Petroleum (East China), Qingdao, Shandong 257061 (China); Sun Zhaolin [Key Laboratory of Petrochemical Catalytic Science and Technology, Liaoning ShiHua University, Fushun 113001 (China); School of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou 730000 (China); Song Lijuan, E-mail: lsong56@263.net [Key Laboratory of Petrochemical Catalytic Science and Technology, Liaoning ShiHua University, Fushun 113001 (China) and College of Chemistry and Chemical Engineering, China University of Petroleum (East China), Qingdao, Shandong 257061 (China)

2012-12-15

Highlights: Black-Right-Pointing-Pointer The MoO{sub 3}-MCM-41 samples prepared by spontaneous monolayer dispersion and impregnation with a different MoO{sub 3} filling have been studied. Black-Right-Pointing-Pointer The relative concentration of hydroxyl groups present on before and after containing MoO{sub 3} samples was monitored by in situ FTIR to speculate the bonding style of MoO{sub 3} and MCM-41. Black-Right-Pointing-Pointer The surface acidities of the MoO{sub 3}-MCM-41 adsorbents were investigated systematically and correlated with the desulfurization performance. - Abstract: A series of MCM-41 samples containing molybdenum oxide as active species in the mesoporous channels loaded by spontaneous monolayer dispersion (SMD) and impregnation (IM) have been prepared and characterized using XRD, N{sub 2} adsorption-desorption analysis, Fourier transform infrared spectroscopy (FTIR) and intelligent gravimetric analyzer (IGA). The relative number of hydroxy on the adsorbents was investigated by in situ FTIR. Surface acidities of the adsorbents were studied by infrared spectroscopy of adsorbed pyridine and correlated with reactivity for adsorptive desulfurization. The IGA technique was employed to investigate adsorption behavior of thiophene and benzene on the adsorbents at 303 K. It is shown that MoO{sub 3} can be highly dispersed up to 0.2 g g{sup -1} in the MCM-41 channels by the SMD strategy with the ordered mesoporous structure of the MoMM samples remaining intact. The ordered mesostructure of MCM-41 is, however, destroyed at higher MoO{sub 3} contents of 0.26 and 0.32 g g{sup -1} with particle sizes of 1.2 nm and 3.6 nm, respectively, observed. For the MoMI(0.2) sample prepared by the IM method, the aggregation of the MoO{sub 3} particles takes place with a particle size of 6.5 nm obtained. The results are also revealed that the dispersion extent of the MoO{sub 3} species is related to the abundant surface hydroxy of MCM-41. The host species and guest

Oxygen 18 concentration profile measurements near the surface by 18O(p,α)15N resonance reaction

International Nuclear Information System (INIS)

Amsel, G.; David, D.

1975-01-01

The method of spectrum reduction in nuclear reaction microanalysis does not allow to obtain depth resolutions better than the order of 2000A. Resolutions of the order of 200A may be obtained by using the narrow resonance technique, when applied to thin films. The latter technique was extended to thick targets, with deep concentration profiles presenting a sharp gradient near the surface. This method is presented and illustrated by the study of 18 O profiles in oxygen diffusion measurements in growing ZrO 2 , using the 629keV resonance of the reaction 18 O(p,α) 15 N [fr

Structure and electronic properties of graphene on ferroelectric LiNbO{sub 3} surface

Energy Technology Data Exchange (ETDEWEB)

Ding, Jun, E-mail: dingjun@haue.edu.cn [College of Science, Henan University of Engineering, Zhengzhou 451191 (China); Wen, LiWei; Li, HaiDong [College of Science, Henan University of Engineering, Zhengzhou 451191 (China); Zhang, Ying, E-mail: yingzhang@bnu.edu.cn [Department of Physics, Beijing Normal University, Beijing 100875 (China)

2017-05-25

Highlights: • Interface structure of graphene on O terminated LiNbO{sub 3} surface. • Asymmetry gap around Dirac point. • Berry phase calculations confirm a valley Hall effect. - Abstract: We investigate the structural and electronic properties of graphene on the O terminated LiNbO{sub 3}(001) surface by density functional theory simulations. We observe that the first graphene layer is covalent bonded with the surface O atoms and buckles a lot. While considering second layer graphene upon the first layer, it almost recovers the planar structure and the interface interaction breaks the AB sublattice symmetry which leads to a valley Hall effect. Our results reveal the interface structure of graphene-ferroelectric heterostructure and provide the way for valleytronic applications with graphene.

Facile and efficient synthesis of the surface tantalum hydride (≡SiO)2TaIIIH and tris-siloxy tantalum (≡SiO)3TaIII starting from novel tantalum surface species (≡SiO)TaMe4 and (≡SiO)2TaMe 3

KAUST Repository

Chen, Yin

2014-03-10

By grafting of TaMe5 (1) on the surface of silica partially dehydroxylated at 500 C (silica500), a mixture of (≡SiO)TaMe4 (2a; major, 65 ± 5%) and (≡SiO) 2TaMe3 (2b; minor, 35 ± 5%) was produced, which has been characterized by microanalysis, IR, and SS NMR (1H, 13C, 1H-13C HETCOR, proton double and triple quantum). After grafting, these surface organometallic compounds are more stable than the precursor TaMe5. Treatment of 2a,b with water and H 2 resulted in the formation of methane in amount of 3.6 ± 0.2 and 3.4 ± 0.2 mol/grafted Ta, respectively. 2a,b react with H2 (800 mbar) to form (≡SiO)2TaH. After (≡SiO) 2TaH was heated to 500 C under hydrogen or vacuum, [(≡SiO) 3Ta][≡SiH] was produced, and the structure was confirmed by IR, NMR, and EXAFS. Considering the difficulty of the previous preparation method, these syntheses represent a facile and convenient way to prepare tantalum surface species (≡SiO)2TaH and (≡SiO)3Ta via the intermediate of the new surface organometallic precursors: (≡SiO)TaMe4/(≡SiO)2TaMe3. (≡SiO)2TaH and (≡SiO)3Ta exhibit equal reactivities in alkane metathesis and ethylene polymerization in comparison to those in previous reports. © 2014 American Chemical Society.

Facile and efficient synthesis of the surface tantalum hydride (≡SiO)2TaIIIH and tris-siloxy tantalum (≡SiO)3TaIII starting from novel tantalum surface species (≡SiO)TaMe4 and (≡SiO)2TaMe 3

KAUST Repository

Chen, Yin; Ould-Chikh, Samy; Abou-Hamad, Edy; Callens, Emmanuel; Mohandas, Janet Chakkamadathil; Khalid, Syed M.; Basset, Jean-Marie

2014-01-01

By grafting of TaMe5 (1) on the surface of silica partially dehydroxylated at 500 C (silica500), a mixture of (≡SiO)TaMe4 (2a; major, 65 ± 5%) and (≡SiO) 2TaMe3 (2b; minor, 35 ± 5%) was produced, which has been characterized by microanalysis, IR, and SS NMR (1H, 13C, 1H-13C HETCOR, proton double and triple quantum). After grafting, these surface organometallic compounds are more stable than the precursor TaMe5. Treatment of 2a,b with water and H 2 resulted in the formation of methane in amount of 3.6 ± 0.2 and 3.4 ± 0.2 mol/grafted Ta, respectively. 2a,b react with H2 (800 mbar) to form (≡SiO)2TaH. After (≡SiO) 2TaH was heated to 500 C under hydrogen or vacuum, [(≡SiO) 3Ta][≡SiH] was produced, and the structure was confirmed by IR, NMR, and EXAFS. Considering the difficulty of the previous preparation method, these syntheses represent a facile and convenient way to prepare tantalum surface species (≡SiO)2TaH and (≡SiO)3Ta via the intermediate of the new surface organometallic precursors: (≡SiO)TaMe4/(≡SiO)2TaMe3. (≡SiO)2TaH and (≡SiO)3Ta exhibit equal reactivities in alkane metathesis and ethylene polymerization in comparison to those in previous reports. © 2014 American Chemical Society.

Electronic and surface properties of Ga-doped In{sub 2}O{sub 3} ceramics

Energy Technology Data Exchange (ETDEWEB)

Regoutz, A., E-mail: a.regoutz@imperial.ac.uk [Department of Chemistry, Inorganic Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QR (United Kingdom); Egdell, R.G. [Department of Chemistry, Inorganic Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QR (United Kingdom); Morgan, D.J. [Cardiff Catalysis Institute (CCI), School of Chemistry, Cardiff University, Park Place, Cardiff, CF10 3AT (United Kingdom); Palgrave, R.G. [Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ (United Kingdom); Téllez, H.; Skinner, S.J.; Payne, D.J. [Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom); Watson, G.W. [School of Chemistry and CRANN, Trinity College Dublin, Dublin 2 (Ireland); Scanlon, D.O. [University College London, Kathleen Lonsdale Materials Chemistry, Department of Chemistry, 20 Gordon Street, London WC1H 0AJ (United Kingdom); Diamond Light Source Ltd., Diamond House, Harwell Science and Innovation Campus, Didcot, Oxfordshire OX11 0DE (United Kingdom)

2015-09-15

Graphical abstract: - Highlights: • The solubility limit of Ga in In{sub 2}O{sub 3} was established to be around 6%. • Ga doping causes a reduction in band gap although the band gap of Ga{sub 2}O{sub 3} is larger than that of In{sub 2}O{sub 3}. • The reduction in band gap is attributed to the role of lone pairs at surfaces and grain boundaries. • A pronounced surface segregation of Ga is observed. - Abstract: The limit of solubility of Ga{sub 2}O{sub 3} in the cubic bixbyite In{sub 2}O{sub 3} phase was established by X-ray diffraction and Raman spectroscopy to correspond to replacement of around 6% of In cations by Ga for samples prepared at 1250 °C. Density functional theory calculations suggest that Ga substitution should lead to widening of the bulk bandgap, as expected from the much larger gap of Ga{sub 2}O{sub 3} as compared to In{sub 2}O{sub 3}. However both diffuse reflectance spectroscopy and valence band X-ray photoemission reveal an apparent narrowing of the gap with Ga doping. It is tentatively concluded that this anomaly arises from introduction of Ga{sup +} surface lone pair states at the top of the valence band and structure at the top of the valence band in Ga-segregated samples is assigned to these lone pair states. In addition photoemission reveals a broadening of the valence band edge. Core X-ray photoemission spectra and low energy ion scattering spectroscopy both reveal pronounced segregation of Ga to the ceramic surface, which may be linked to both relief of strain in the bulk and the preferential occupation of surface sites by lone pair cations. Surprisingly Ga segregation is not accompanied by the development of chemically shifted structure in Ga 2p core XPS associated with Ga{sup +}. However experiments on ion bombarded Ga{sub 2}O{sub 3}, where a shoulder at the top edge of the valence band spectra provide a clear signature of Ga{sup +} at the surface, show that the chemical shift between Ga{sup +} and Ga{sup 3+} is too small to be

First principles study of elemental mercury (Hg0) adsorption on low index CoMnO3 surfaces

International Nuclear Information System (INIS)

Ji, Wenchao; Su, Pingru; Tang, Qingli; Cheng, Zhiwen; Shen, Zhemin; Fan, Maohong

2017-01-01

Highlights: • Hg 0 adsorption on low index CoMnO 3 surface was predicted by DFT method. • Hg 0 is adsorbed on the CoMnO 3 surface with chemisorption interaction. • Hg 0 has highest adsorption energy on CoMnO 3 (1 0 0) surface with Hg-Mn mechanism. • The electron transfer of Hg 0 has positive relationship with adsorption energy. - Abstract: The density functional theory (DFT) is applied to predict elemental mercury (Hg 0 ) adsorption on CoMnO 3 surface for the first time. GGA/PBE functional were selected to determine the potential Hg 0 capture mechanisms. The results show that Hg 0 has good affinity with CoMnO 3 surfaces with chemical adsorption. The adsorption energy of Hg 0 -CoMnO 3 (1 0 0), Hg 0 -CoMnO 3 (1 0 1) and Hg 0 -CoMnO 3 (1 1 0) are −85.225, −72.305 and −70.729 kJ/mol, respectively. The Hg-Mn and Hg-Co mechanisms were revealed on low index surfaces. Hg 0 was oxidized to its valence state of 0.236 on Mn site in CoMnO 3 (1 0 0) surface. The Hg-Co interaction mechanism occurred on Hg 0 -CoMnO 3 (1 0 1) and Hg 0 -CoMnO 3 (1 1 0) with 0.209e − and 0.189e − transformation, respectively. The PDOS analysis shows that Hg-Mn interaction depends on the hybridization of Hg(s- and d-orbitals) and Mn (s-, p- and d- orbitals). However, Hg-Co interaction stems from s- and d- orbitals of Hg, which only overlapping with d- and p- orbital of Co. Both the adsorption energy and electronic structure analysis indicated that CoMnO 3 catalyst performed excellent in Hg 0 oxidation. Exposing CoMnO 3 (1 0 0) is most favorable in Hg 0 control, which provides theoretical instruction on certain crystal plane synthesis in experiment.

Well-Defined Surface Species [(≡Si - O -)W(=O)Me3] Prepared by Direct Methylation of [(≡Si - O -)W(=O)Cl3], a Catalyst for Cycloalkane Metathesis and Transformation of Ethylene to Propylene

KAUST Repository

Hamieh, Ali Imad Ali

2015-04-03

The silica-supported tungsten oxo-trimethyl complex [(≡Si - O -)W(=O)Me3] was synthesized using a novel SOMC synthetic approach. By grafting the inexpensive stable compound WOCl4 on the surface of silica, partially dehydroxylated at 700 °C (SiO2-700), a well-defined monopodal surface complex [(≡Si - O -)W(=O)Cl3] was produced. The supported complex directly methylated with ZnMe2 and transformed into [(≡Si - O -)W(=O)Me3], which we fully characterized by microanalysis, IR, mass balance and SS NMR (1H, 13C, 1H-13C HETCOR, 1H-1H DQ and TQ). [(≡Si - O)W(=O)Me3] has two conformational isomers on the surface at room temperature. The conversion of one to the other was observed at 318 K by variable-temperature 13C CP/MAS and 1H spin echo MAS solid-state NMR; this was also confirmed by NMR and DFT calculations. [(≡Si - O)W(=O)Me3] was found to be active in cyclooctane metathesis and to have a wide distribution range in ring-contracted and ring-expanded products. In addition, [(≡Si - O)W(=O)Me3] proved to be highly active for selective transformation of ethylene to propylene compared to other silica-supported organometallic complexes. (Chemical Equation Presented). © 2015 American Chemical Society.

Well-Defined Surface Species [(≡Si - O -)W(=O)Me3] Prepared by Direct Methylation of [(≡Si - O -)W(=O)Cl3], a Catalyst for Cycloalkane Metathesis and Transformation of Ethylene to Propylene

KAUST Repository

Hamieh, Ali Imad Ali; Chen, Yin; Abdel-Azeim, Safwat; Abou-Hamad, Edy; Goh, Li Min Serena; Samantaray, Manoja; Dey, Raju; Cavallo, Luigi; Basset, Jean-Marie

2015-01-01

The silica-supported tungsten oxo-trimethyl complex [(≡Si - O -)W(=O)Me3] was synthesized using a novel SOMC synthetic approach. By grafting the inexpensive stable compound WOCl4 on the surface of silica, partially dehydroxylated at 700 °C (SiO2-700), a well-defined monopodal surface complex [(≡Si - O -)W(=O)Cl3] was produced. The supported complex directly methylated with ZnMe2 and transformed into [(≡Si - O -)W(=O)Me3], which we fully characterized by microanalysis, IR, mass balance and SS NMR (1H, 13C, 1H-13C HETCOR, 1H-1H DQ and TQ). [(≡Si - O)W(=O)Me3] has two conformational isomers on the surface at room temperature. The conversion of one to the other was observed at 318 K by variable-temperature 13C CP/MAS and 1H spin echo MAS solid-state NMR; this was also confirmed by NMR and DFT calculations. [(≡Si - O)W(=O)Me3] was found to be active in cyclooctane metathesis and to have a wide distribution range in ring-contracted and ring-expanded products. In addition, [(≡Si - O)W(=O)Me3] proved to be highly active for selective transformation of ethylene to propylene compared to other silica-supported organometallic complexes. (Chemical Equation Presented). © 2015 American Chemical Society.

Tuning the relative concentration ratio of bulk defects to surface defects in TiO2 nanocrystals leads to high photocatalytic efficiency.

Science.gov (United States)

Kong, Ming; Li, Yuanzhi; Chen, Xiong; Tian, Tingting; Fang, Pengfei; Zheng, Feng; Zhao, Xiujian

2011-10-19

TiO(2) nanocrystals with tunable bulk/surface defects were synthesized and characterized with TEM, XRD, BET, positron annihilation, and photocurrent measurements. The effect of defects on photocatalytic activity was studied. It was found for the first time that decreasing the relative concentration ratio of bulk defects to surface defects in TiO(2) nanocrystals could significantly improve the separation efficiency of photogenerated electrons and holes, thus significantly enhancing the photocatalytic efficiency.

Surface and spectral studies of green emitting Sr{sub 3}B{sub 2}O{sub 6}:Tb{sup 3+} phosphor

Energy Technology Data Exchange (ETDEWEB)

Neharika [School of Physics, Shri Mata Vaishno Devi University, Katra 182320, J& K (India); Kumar, Vinay, E-mail: vinaykumar@smvdu.ac.in [School of Physics, Shri Mata Vaishno Devi University, Katra 182320, J& K (India); Sharma, J.; Singh, Vivek K. [School of Physics, Shri Mata Vaishno Devi University, Katra 182320, J& K (India); Ntwaeaborwa, O.M.; Swart, H.C. [Department of Physics, University of the Free State, PO Box 339, Bloemfontein ZA9300 (South Africa)

2016-01-15

Highlights: • XPS technique has been used to study the surface composition of the phosphor. • The phosphor is synthesized by combustion method using urea as fuel. • Multipole–multipole interaction was found to play a key role for concentration quenching of Tb{sup 3+} doped Sr{sub 3}B{sub 2}O{sub 6} phosphor. - Abstract: In this paper, we report the synthesis of trivalent Tb{sup 3+} doped Sr{sub 3}B{sub 2}O{sub 6} phosphor by combustion method using urea as an organic fuel. The structure of the product has been verified by X-ray diffraction study which shows a rhombohedral phase with a space group of R-3c having lattice constants a = 9.064 Å, b = 9.064 Å, c = 12.611 Å. X-ray photoelectron spectroscopy has been used to study the elemental composition and electronic states of the Tb{sup 3+} doped Sr{sub 3}B{sub 2}O{sub 6} phosphor. Photoluminescence spectra showed that the phosphor emits in the greenish region (with the main peak at 544 nm) of color gamut under UV excitation. The diffuse reflectance spectra of the Sr{sub 3}B{sub 2}O{sub 6} phosphor were studied. Lifetime and band gap of the phosphors were calculated to be 2.55 ms and 5.25 ± 0.02 eV, respectively.

Phase equilibria in the system Li2O - MoO3 - Sc2O3

International Nuclear Information System (INIS)

Safonov, V.V.; Chaban, N.G.; Porotnikov, N.V.

1984-01-01

Using the methods of DTA and X-ray phase analysis, interaction of components in the system Li 2 O-MoO 3 -Sc 2 O 3 in concentration range, adjacent to the vertex of MoO 3 , has been studied. Projection of the Li 2 MoO 4 -MoO 3 -Sc 2 (MoO 4 ) 3 system liquidus on concentrational triangle of the compositions Li 2 O-MoO 3 -Sc 2 O 3 , which consists of the fields of primary separation of Li 2 MoO 4 , Li 2 Mo 5 O 17 , Li 2 Mo 4 O 13 , MoO 3 , Sc 2 (MoO 4 ) 3 , Li 3 Sc(MoO 4 ) 3 and LiSc(MoO 4 ) 2 , is built

Combined use of O3/H2O2 and O3/Mn2+ in flotation of dairy wastewater

Directory of Open Access Journals (Sweden)

Marta Cristina Silva Carvalho

2018-05-01

Full Text Available This work investigated the degradation of organic matter present in synthetic dairy wastewater by the combination of ozonation (ozone (O3/hydrogen peroxide (H2O2 and catalytic ozonation (ozone (O3/manganese (Mn2+ associated with dispersed air flotation process. The effect of independent factors such as O3 concentration, pH and H2O2 and Mn2+ concentration was evaluated. For the flotation/O3/H2O2 treatment, the significant variables (p ≤ 0.05 were: O3 concentration (linear and quadratic effect, H2O2 concentration linear and quadratic effect, pH values (linear and quadratic effect and interaction O3 concentration versus pH. For catalytic ozonation, it was observed that the significant variable was the linear effect of O3 concentration. According to the desirability function, it was concluded that the optimal condition for the treatment of flotation/O3/H2O2 can be obtained in acidic solution using O3 concentrations greater than 42.9 mg L-1 combined with higher concentrations of H2O2 to 1071.5 mg L-1. On other hand, at pH values higher than 9.0, the addition of O3 may be neglected when using higher concentrations than 1071.5 mg L-1 of H2O2. For flotation/ozonation catalyzed by Mn2+, it was observed that metal addition did not affect treatment, resulting in an optimum condition: 53.8 mg L-1 of O3 and pH 3.6.

Surface chemical and electronic properties of In{sub 2}O{sub 3} and In{sub 2}O{sub 3-x} nanoparticles for ozone detection

Energy Technology Data Exchange (ETDEWEB)

Himmerlich, Marcel; Krischok, Stefan [Institut fuer Physik and Institut fuer Mikro- und Nanotechnologien, TU Ilmenau, PF 100565, 98684 Ilmenau (Germany); Wang, Chunyu; Cimalla, Volker; Ambacher, Oliver [Fraunhofer-Institut fuer Angewandte Festkoerperphysik, Tullastr. 72, 79108 Freiburg im Breisgau (Germany)

2012-07-01

The electrical properties of indium oxide nanoparticle films can be tuned by variation of growth temperature as well as rapid thermal annealing, UV-irradiation and ozone-induced oxidation. The high O{sub 3} sensitivity of indium oxide thin films is strongly linked to their structural and electronic properties. Especially, the alteration of the surface electron accumulation plays an important role in the change of the film resistivity upon O{sub 3} interaction and UV-induced regeneration. We analyse the changes of indium oxide surface properties with respect to varying crystallinity using AFM, XPS and UPS. Compared to stoichiometric In{sub 2}O{sub 3} thin films, indium oxide nanoparticles exhibit a high oxygen deficiency and hence a high defect density at the nanoparticle surface. After growth, these defects are saturated by hydrocarbons due to the incomplete decomposition of precursors during low temperature MOCVD. The defects and the changed stoichiometry have impact on the surface band alignment. Upon ozone-induced oxidation and UV photoreduction a reversible change in band bending, surface dipole and O adsorption density is found and will be discussed in context with electron transport characteristics and thermal properties.

Synthesis and luminescent properties of CaCO3:Eu3+@SiO2 phosphors with core-shell structure

Science.gov (United States)

Liu, Min; Kang, Ming; Chen, Kexu; Mou, Yongren; Sun, Rong

2018-03-01

Integrating the processes of preparation of CaCO3:Eu3+ and its surface-coating, core-shell structured CaCO3:Eu3+@SiO2 phosphors with red emission were synthesized by the carbonation method and surface precipitation procedure using sodium silicate as silica source. The phase structure, thermal stability, morphology and luminescent property of the as-synthesized samples were characterized by X-ray diffraction, Fourier transform infrared spectrum, thermal analysis, field-emission scanning electron microscopy, transmission electron microscope and photoluminescence spectra. The experimental results show that Eu3+ ions as the luminescence center are divided into two types: one is at the surface of the CaCO3 and the other inhabits the site of Ca2+. For CaCO3:Eu3+@SiO2 phosphors, the SiO2 layers are continuously coated on the surface of CaCO3:Eu3+ and show a typical core-shell structure. After coated with SiO2 layer, the luminous intensity and the compatibility with the rubber matrix increase greatly. Additionally, the luminous intensity increases with the increasing of Eu3+ ions concentration in CaCO3 core and concentration quenching occurs when Eu3+ ions concentration exceeds 7.0 mol%, while it is 5.0 mol% for CaCO3:Eu3+ phosphors. Therefore, preparation of CaCO3:Eu3+@SiO2 phosphors can not only simplify the experimental process through integrating the preparation of CaCO3:Eu3+ and SiO2 layer, but also effectively increase the luminous intensities of CaCO3:Eu3+ phosphors. The as-obtained phosphors may have potential applications in the fields of optical materials and functional polymer composite materials, such as plastics and rubbers.

Effect of doping concentration and annealing temperature on luminescence properties of Y{sub 2}O{sub 3}:Eu{sup 3+} nanophosphor prepared by colloidal precipitation method

Energy Technology Data Exchange (ETDEWEB)

Siddaramana Gowd, G.; Kumar Patra, Manoj; Songara, Sandhya; Shukla, Anuj; Mathew, Manoth; Raj Vadera, Sampat [Materials Development Group, Defence Laboratory, Jodhpur (India); Kumar, Narendra, E-mail: nkjainjd@yahoo.com [Materials Development Group, Defence Laboratory, Jodhpur (India)

2012-08-15

Eu{sup 3+} doped Y{sub 2}O{sub 3} nanophosphors have been synthesized using the simple colloidal precipitation method. Doping of Eu{sup 3+} ions in host yttria lattice has been achieved through slow re-crystallization process under wet-chemical conditions followed by annealing at high temperatures (300-1400 Degree-Sign C). The nanophosphors were characterized by using powder X-ray diffraction (XRD), thermogravimetric analysis (TGA), atomic force microscopy (AFM) and spectrofluorometer techniques. XRD analysis reveals formation of pure cubic phase of Y{sub 2}O{sub 3} in samples annealed at 700 Degree-Sign C or above. Further, the XRD data was successfully used to retrieve the crystallite size and size distribution from powder samples using the FW((1/5)/(4/5))M method. Crystallite size (11-50 nm) extracted from XRD has been found to be consistent with AFM measurements. The PL emission spectra of nanophosphors show bright red emission at 612 nm due to hypersensitive electric dipole (ED) {sup 5}D{sub 0}-{sup 7}F{sub 2} transition of Eu{sup 3+} ions in Y{sub 2}O{sub 3} lattice. Further, photoluminescence studies indicate that optimum value of the Eu{sup 3+} to get best luminescence properties is 12 at%. Surface conjugations of these nanophosphors with water soluble dextran biomolecules have also been performed. Surface conjugated rare earth nanophosphors have great potential for bio-applications. - Highlights: Black-Right-Pointing-Pointer Surfactant and catalyst free synthesis of Eu{sup 3+} doped Y{sub 2}O{sub 3} nanophosphor showing bright red emission at 612 nm. Black-Right-Pointing-Pointer Optimization of reaction conditions and Eu{sup 3+}dopant concentration to achieve high luminescence efficiency. Black-Right-Pointing-Pointer Estimation of crystallite size and size distribution of nanophosphor from XRD data. Black-Right-Pointing-Pointer Surface conjugation of Eu{sup 3+} doped Y{sub 2}O{sub 3} nanophosphor with dextran biomolecules.

Excellent Passivation of p-Type Si Surface by Sol-Gel Al2O3 Films

International Nuclear Information System (INIS)

Hai-Qing, Xiao; Chun-Lan, Zhou; Xiao-Ning, Cao; Wen-Jing, Wang; Lei, Zhao; Hai-Ling, Li; Hong-Wei, Diao

2009-01-01

Al 2 O 3 films with a thickness of about 100 nm synthesized by spin coating and thermally treated are applied for field-induced surface passivation of p-type crystalline silicon. The level of surface passivation is determined by techniques based on photoconductance. An effective surface recombination velocity below 100 cm/s is obtained on 10Ω ·cm p-type c-Si wafers (Cz Si). A high density of negative fixed charges in the order of 10 12 cm −2 is detected in the Al 2 O 3 films and its impact on the level of surface passivation is demonstrated experimentally. Furthermore, a comparison between the surface passivation achieved for thermal SiO 2 and plasma enhanced chemical vapor deposition SiN x :H films on the same c-Si is presented. The high negative fixed charge density explains the excellent passivation of p-type c-Si by Al 2 O 3 . (cross-disciplinary physics and related areas of science and technology)

n-type dopants in (001) β-Ga2O3 grown on (001) β-Ga2O3 substrates by plasma-assisted molecular beam epitaxy

Science.gov (United States)

Han, Sang-Heon; Mauze, Akhil; Ahmadi, Elaheh; Mates, Tom; Oshima, Yuichi; Speck, James S.

2018-04-01

Ge and Sn as n-type dopants in (001) β-Ga2O3 films were investigated using plasma-assisted molecular beam epitaxy. The Ge concentration showed a strong dependence on the growth temperature, whereas the Sn concentration remains independent of the growth temperature. The maximum growth temperature at which a wide range of Ge concentrations (from 1017 to 1020 cm-3) could be achieved was 675 °C while the same range of Sn concentration could be achieved at growth temperature of 750 °C. Atomic force microscopy results revealed that higher growth temperature shows better surface morphology. Therefore, our study reveals a tradeoff between higher Ge doping concentration and high quality surface morphology on (001) β-Ga2O3 films grown by plasma-assisted molecular beam epitaxy. The Ge doped films had an electron mobility of 26.3 cm2 V-1 s-1 at the electron concentration of 6.7 × 1017 cm-3 whereas the Sn doped films had an electron mobility of 25.3 cm2 V-1 s-1 at the electron concentration of 1.1 × 1018 cm-3.

Surface Reactivity of Li2MnO3: First-Principles and Experimental Study.

Science.gov (United States)

Quesne-Turin, Ambroise; Flahaut, Delphine; Croguennec, Laurence; Vallverdu, Germain; Allouche, Joachim; Charles-Blin, Youn; Chotard, Jean-Noël; Ménétrier, Michel; Baraille, Isabelle

2017-12-20

This article deals with the surface reactivity of (001)-oriented Li 2 MnO 3 crystals investigated from a multitechnique approach combining material synthesis, X-ray photoemission spectroscopy (XPS), scanning electron microscopy, Auger electron spectroscopy, and first-principles calculations. Li 2 MnO 3 is considered as a model compound suitable to go further in the understanding of the role of tetravalent manganese atoms in the surface reactivity of layered lithium oxides. The knowledge of the surface properties of such materials is essential to understand the mechanisms involved in parasitic phenomena responsible for early aging or poor storage performances of lithium-ion batteries. The surface reactivity was probed through the adsorption of SO 2 gas molecules on large Li 2 MnO 3 crystals to be able to focus the XPS beam on the top of the (001) surface. A chemical mapping and XPS characterization of the material before and after SO 2 adsorption show in particular that the adsorption is homogeneous at the micro- and nanoscale and involves Mn reduction, whereas first-principles calculations on a slab model of the surface allow us to conclude that the most energetically favorable species formed is a sulfate with charge transfer implying reduction of Mn.

VOPcPhO:P3HT composite micro-structures with nano-porous surface morphology

Energy Technology Data Exchange (ETDEWEB)

Azmer, Mohamad Izzat [Low Dimensional Materials Research Centre (LDMRC), Department of Physics, Faculty of Science, University of Malaya, 50603 Kuala Lumpur (Malaysia); Ahmad, Zubair, E-mail: zubairtarar@qu.edu.qa [Center for Advanced Materials (CAM), Qatar University, P. O. Box 2713, Doha (Qatar); Sulaiman, Khaulah, E-mail: khaulah@um.edu.my [Low Dimensional Materials Research Centre (LDMRC), Department of Physics, Faculty of Science, University of Malaya, 50603 Kuala Lumpur (Malaysia); Touati, Farid [Department of Electrical Engineering, College of Engineering, Qatar University, P. O. Box 2713, Doha (Qatar); Bawazeer, Tahani M. [Department of Chemistry, Faculty of Applied Science, Umm Al-Qura University, Makkah (Saudi Arabia); Alsoufi, Mohammad S. [Mechanical Engineering Department, College of Engineering and Islamic Architecture, Umm Al-Qura University, Makkah (Saudi Arabia)

2017-03-31

Highlights: • VOPcPhO:P3HT micro-structures with nano-porous surface morphology have been formed. • Multidimensional structures have been formed by electro-spraying technique. • The electro-sprayed films are very promising for the humidity sensors. - Abstract: In this paper, composite micro-structures of Vanadyl 2,9,16,23-tetraphenoxy-29H,31H-phthalocyanine) (VOPcPhO) and Poly (3-hexylthiophene-2,5-diyl) (P3HT) complex with nano-porous surface morphology have been developed by electro-spraying technique. The structural and morphological characteristics of the VOPcPhO:P3HT composite films have been studied by field emission scanning electron microscopy (FESEM) and atomic force microscopy (AFM). The multidimensional VOPcPhO:P3HT micro-structures formed by electro-spraying with nano-porous surface morphology are very promising for the humidity sensors due to the pore sizes in the range of micro to nano-meters scale. The performance of the VOPcPhO:P3HT electro-sprayed sensor is superior in term of sensitivity, hysteresis and response/recovery times as compared to the spin-coated one. The electro-sprayed humidity sensor exhibits ∼3 times and 0.19 times lower hysteresis in capacitive and resistive mode, respectively, as compared to the spin-coated humidity sensor.

Enhanced photoelectrochemical and photocatalytic activity of WO3-surface modified TiO2 thin film

Science.gov (United States)

Qamar, Mohammad; Drmosh, Qasem; Ahmed, Muhammad I.; Qamaruddin, Muhammad; Yamani, Zain H.

2015-02-01

Development of nanostructured photocatalysts for harnessing solar energy in energy-efficient and environmentally benign way remains an important area of research. Pure and WO3-surface modified thin films of TiO2 were prepared by magnetron sputtering on indium tin oxide glass, and photoelectrochemical and photocatalytic activities of these films were studied. TiO2 particles were <50 nm, while deposited WO3 particles were <20 nm in size. An enhancement in the photocurrent was observed when the TiO2 surface was modified WO3 nanoparticles. Effect of potential, WO3 amount, and radiations of different wavelengths on the photoelectrochemical activity of TiO2 electrodes was investigated. Photocatalytic activity of TiO2 and WO3-modified TiO2 for the decolorization of methyl orange was tested.

Surface characterization of poly(methylmethacrylate) based nanocomposite thin films containing Al2O3 and TiO2 nanoparticles

International Nuclear Information System (INIS)

Lewis, S.; Haynes, V.; Wheeler-Jones, R.; Sly, J.; Perks, R.M.; Piccirillo, L.

2010-01-01

Poly(methylmethacrylate) (PMMA) based nanocomposite electron beam resists have been demonstrated by spin coating techniques. When TiO 2 and Al 2 O 3 nanoparticles were directly dispersed into the PMMA polymer matrix, the resulting nanocomposites produced poor quality films with surface roughnesses of 322 and 402 nm respectively. To improve the surface of the resists, the oxide nanoparticles were encapsulated in toluene and methanol. Using the zeta potential parameter, it was found that the stabilities of the toluene/oxide nanoparticle suspensions were 7.7 mV and 19.4 mV respectively, meaning that the suspension was not stable. However, when the TiO 2 and Al 2 O 3 nanoparticles were encapsulated in methanol the zeta potential parameter was 31.9 mV and 39.2 mV respectively. Therefore, the nanoparticle suspension was stable. This method improved the surface roughness of PMMA based nanocomposite thin films by a factor of 6.6 and 6.4, when TiO 2 and Al 2 O 3 were suspended in methanol before being dispersed into the PMMA polymer.

Theoretical investigation of the Fermi surface of La2-xSrxCuO4 and YBa2Cu3O7

International Nuclear Information System (INIS)

Antonov, V.N.; Antonov, V.N.; Bar'yakhtar, V.G.

1989-01-01

The theoretical investigation of both the Fermi surface (FS) form and isoenergetic surfaces near the Fermi energy of La 2-x Sr x CuO 4 and YBa 2 Cu 3 O 7 is carried out by selfconsistent LMTO/method in an atomic sphere approximation. The FS of these compounds is established to have an essential two-dimensional character. The FS La 2 CuO 4 is a corrugated rounded box centered in Γ point. The FS YBa 2 Cu 3 O 7 consists of four plates: an electron ''cushion'' in Γ point and three embeded hole surfaces centered in S point. In this case the ''cushion'' and one of the hole surfaces are vigorously corrugated along the z-direction. A comparison between both the FS calculated theoretically of La 2 CuO 4 and YBa 2 Cu 3 O 7 and experimental data on electron-positron annihilation is carried out. The electron-rate maps and numerical results of various characteristics, i.e., plate areas, mean rates, mean squares of the rates, partial densities of states for each plate of the FS YBa 2 Cu 3 O 7 are given

Nanocomposites of ferroelectric polymers with surface-hydroxylated BaTiO 3 nanoparticles for energy storage applications

KAUST Repository

Almadhoun, Mahmoud Nassar Mahmoud

2012-01-01

A facile surface hydroxylation treatment using hydrogen peroxide to modify the surface of BaTiO 3 nanofillers dispersed in a ferroelectric copolymer host has been investigated. We demonstrate that the surface functionalization of the BaTiO 3 nanofillers (<100 nm) with hydroxyl groups results in as much as two orders of magnitude reduction in the leakage current of nanocomposite thin-film capacitors. This reduction is observed concurrently with the enhancement of the effective permittivity and breakdown strength of the thin-film nanocomposites. Surface modified BaTiO 3 particles display better dispersion within the polymer matrix, resulting in enhanced relative permittivity and reduced dielectric loss. The dielectric behavior of the nanocomposite films containing up to 30 vol.% BaTiO 3 agreed well with the Bruggeman model. These results demonstrate the potential of facile surface hydroxylation of nanoparticles towards the fabrication of higher energy-density nanocomposites. © 2012 The Royal Society of Chemistry.

Thermodynamic modeling of neptunium(V) solubility in concentrated Na-CO3-HCO3-Cl-ClO4-H-OH-H2O systems

International Nuclear Information System (INIS)

Novak, C.F.; Roberts, K.E.

1994-01-01

Safety assessments of nuclear waste repositories often require estimation of actinide solubilities as a function of groundwater composition. Although considerable amount of research has been done on the solubility and speciation of actinides, relatively little has been done to unify these data into a model applicable to concentrate brines. Numerous authors report data on the aqueous chemical properties of Np(V) in NaClO 4 , Na 2 CO 3 , and NaCl media, but a consistent thermodynamic model for predicting these properties is not available. To meet this need, a model was developed to describe the solubility of Np(V) in Na-Cl-ClO 4 -CO 3 aqueous systems, based on the Pitzer activity coefficient formalism for concentrated electrolytes. Hydrolysis and/or carbonate complexation are the dominant aqueous reactions with neptunyl in these systems. Literature data for neptunyl extraction and solubility, and solubility data that the authors developed, are used to parameterize an integrated model for Np(V) solubility in the Np(V)-Na-CO 3 -HCO 3 -Cl-ClO 4 -H-OH-H 2 O system. The resulting model is tested against additional solubility data, and compared with Np(V) solubility experiments in complex synthetic brines

Oxidation precursor dependence of atomic layer deposited Al2O3 films in a-Si:H(i)/Al2O3 surface passivation stacks.

Science.gov (United States)

Xiang, Yuren; Zhou, Chunlan; Jia, Endong; Wang, Wenjing

2015-01-01

In order to obtain a good passivation of a silicon surface, more and more stack passivation schemes have been used in high-efficiency silicon solar cell fabrication. In this work, we prepared a-Si:H(i)/Al2O3 stacks on KOH solution-polished n-type solar grade mono-silicon(100) wafers. For the Al2O3 film deposition, both thermal atomic layer deposition (T-ALD) and plasma enhanced atomic layer deposition (PE-ALD) were used. Interface trap density spectra were obtained for Si passivation with a-Si films and a-Si:H(i)/Al2O3 stacks by a non-contact corona C-V technique. After the fabrication of a-Si:H(i)/Al2O3 stacks, the minimum interface trap density was reduced from original 3 × 10(12) to 1 × 10(12) cm(-2) eV(-1), the surface total charge density increased by nearly one order of magnitude for PE-ALD samples and about 0.4 × 10(12) cm(-2) for a T-ALD sample, and the carrier lifetimes increased by a factor of three (from about 10 μs to about 30 μs). Combining these results with an X-ray photoelectron spectroscopy analysis, we discussed the influence of an oxidation precursor for ALD Al2O3 deposition on Al2O3 single layers and a-Si:H(i)/Al2O3 stack surface passivation from field-effect passivation and chemical passivation perspectives. In addition, the influence of the stack fabrication process on the a-Si film structure was also discussed in this study.

The influence of SiO2 Addition on 2MgO-Al2O3-3.3P2O5 Glass

DEFF Research Database (Denmark)

Larsen, P.H.; Poulsen, F.W.; Berg, Rolf W.

1999-01-01

2MgO-Al2O3-3.3P2O5 glasses with increasing amounts of SiO2 are considered for sealing applications in Solid Oxide Fuel Cells (SOFC). The change in chemical durability under SOFC anode conditions and the linear thermal expansion is measured as functions of the SiO2 concentration. Raman spectroscopy...... analysis of the glasses reveals no sign of important changes in the glass structure upon SiO2 addition. Some increase in glass durability with SiO2 concentration is reported and its cause is discussed....

Study of different 3-aminopropyl triethoxysilane (APTES) concentration on TiO2 particles based IDE for cervical cancer detection

Science.gov (United States)

Raqeema, S.; Hashim, U.; Azizah, N.; Nadzirah, Sh.; Arshad, M. K. Md; Ruslinda, A. R.; Gopinath, Subash C. B.

2017-03-01

HPV that also called Human Papillomaviruses is the major cause of the cervical cancer. HPV 16 and HPV 18 are the two types of HPV are the most HPV-associated cancers and responsible as a high-risk HPV. Cervical cancer taken about 70 percent of all cases due HPV infections. Cervical malignancy for the most part development on a lady's cervix and its was developed slowly as cancer disease. TiO2 particles give better performance and low cost of the biosensor. The used of 3-aminopropyl triethoxysilane (APTES) will be more efficient for DNA nanochip. APTES used as absorption reaction to immobilize organic biomolecules on the inorganic surface. Besides, APTES give better functionalization of the adsorption mechanism on IDE. The surface functionalized for immobilizing the DNA, which is the combination of the DNA probe and the HPV target produce high sensitivity andfast detection of the IDE. The Current-Voltage (IV) characteristic proved the sensitivity of the DNA nanochip increase as the concentration varied from 0% concentration to 24% of APTES concentration.

Surface termination structure of α-Ga{sub 2}O{sub 3} film grown by mist chemical vapor deposition

Energy Technology Data Exchange (ETDEWEB)

Tamba, Daiki; Kubo, Osamu, E-mail: okubo@eei.eng.osaka-u.ac.jp; Osaka, Shun; Takahashi, Kazuki; Tabata, Hiroshi; Katayama, Mitsuhiro [Division of Electrical, Electronic and Information Engineering, Graduate School of Engineering, Osaka University, Suita 565-0871 (Japan); Oda, Masaya [Photonics and Electronics Science and Engineering Center, Graduate School of Engineering, Kyoto University, Kyoto 615-8520 (Japan); FLOSFIA Inc., 1-36 Goryoohara, Kyoto 615-8245 (Japan); Kaneko, Kentaro; Fujita, Shizuo [Photonics and Electronics Science and Engineering Center, Graduate School of Engineering, Kyoto University, Kyoto 615-8520 (Japan)

2016-06-20

The surface structure of α-Ga{sub 2}O{sub 3}(0001) grown on an α-Al{sub 2}O{sub 3}(0001) substrate by mist chemical vapor deposition was studied by coaxial impact-collision ion scattering spectroscopy (CAICISS) and atomic force microscopy (AFM). The minimum step height observed in the AFM image was 0.21 ± 0.01 nm, coinciding with the height of three atomic layers of α-Ga{sub 2}O{sub 3}(0001). It was revealed by CAICISS analysis that the surface of α-Ga{sub 2}O{sub 3}(0001) is terminated by a Ga layer followed by an O layer, which is consistent with the surface termination of α-Al{sub 2}O{sub 3}(0001). A structural model taking surface relaxation into account was also constructed by fitting the simulated curve for the azimuth angle dependence of the Ga intensity to the experimental dependence. The resultant structural model is similar to the model of an α-Al{sub 2}O{sub 3}(0001) surface, which indicates analogous behavior in corundum crystals.

Electrocatalytic activity of LaNiO3 toward H2O2 reduction reaction: Minimization of oxygen evolution

Science.gov (United States)

Amirfakhri, Seyed Javad; Meunier, Jean-Luc; Berk, Dimitrios

2014-12-01

The catalytic activity of LaNiO3 toward H2O2 reduction reaction (HPRR), with a potential application in the cathode side of fuel cells, is studied in alkaline, neutral and acidic solutions by rotating disk electrode. The LaNiO3 particles synthesised by citrate-based sol-gel method have sizes between 30 and 70 nm with an active specific surface area of 1.26 ± 0.05 m2 g-1. LaNiO3 shows high catalytic activity toward HPRR in 0.1 M KOH solution with an exchange current density based on the active surface area (j0A) of (7.4 ± 1) × 10-6 A cm-2 which is noticeably higher than the j0A of N-doped graphene. The analysis of kinetic parameters suggests that the direct reduction of H2O2, H2O2 decomposition, O2 reduction and O2 desorption occur through HPRR on this catalyst. In order to control and minimize oxygen evolution from the electrode surface, the effects of catalyst loading, bulk concentration of H2O2, and using a mixture of LaNiO3 and N-doped graphene are studied. Although the mechanism of HPRR is independent of the aforementioned operating conditions, gas evolution decreases by increasing the catalyst loading, decreasing the bulk concentration of H2O2, and addition of N-doped graphene to LaNiO3.

Desenvolvimento do pigmento condutor SnO2 -Sb2O3 e sua aplicação em vidrados semicondutores Development of a SnO2 -Sb2O3 conductor pigment and its applications in semiconductor glazes

Directory of Open Access Journals (Sweden)

R. Aguiar

2004-06-01

Full Text Available Esmaltes semicondutores são utilizados no recobrimento de isoladores elétricos para evitar descargas superficiais nos isoladores, associadas a grandes diferenças de potencial, proporcionando uma melhora no desempenho sob poluição ambiental. Como os vidrados utilizados nas indústrias cerâmicas são isolantes, uma maneira de torná-los semicondutores é adicionando óxidos condutores. Misturou-se ao esmalte porcentagens variadas do pigmento condutor SnO2 dopado com 5% de Sb2O3. O esmalte foi aplicado sobre peças de porcelana a verde e queimado a 1250 ºC. Por microscopia eletrônica de varredura verificou-se que a concentração de pigmento na superfície das amostras é baixa e não influencia a condutividade elétrica. Na fratura, a porcentagem de pigmento ficou próxima de 35%. Assim, a superfície ficou com aspecto visual de ótima qualidade. A resistividade elétrica ocorreu pelo interior do vidrado, obtendo-se valores próximos de 10(4 Ohm.m.Semiconductor glazes are employed on electrical insulators to avoid surface discharge under conditions of intense electric fields, providing better performance in polluted environments. Semiconductor enamels are of great interest for electrical insulator coatings to avoid surface discharges, related to large potential differences. This enhances the performance of the insulator under polluted environments. Glazes used in ceramic industries are not conductive. The addition of conductive oxides to the glaze composition results in a semiconductor enamel. Sb2O3-doped SnO2 was mixed with the enamel in different concentrations. The resulting enamel was applied over green porcelain and fired at 1250 ºC. Scanning electron microscopy characterization was performed and it was verified that the pigment concentration on the surface is low and does not affect the electrical conductivity. The pigment concentration on the fracture surface is approximately 35%. The insulator surface presents a high quality

Incorporation of Fe2O3, FeO and Al2O3 in silicate glasses and its effect on their structure and chemical stability

Energy Technology Data Exchange (ETDEWEB)

Van Iseghem, P; De Grave, E; Peters, L; De Batist, R

1983-09-01

Large amounts of the glass intermediates Al2O3, Fe2O3 and FeO are present in the amorphous silicate slags developed at the S.C.K./C.E.N. for the conditioning of Pu contaminated radioactive waste. Strong ambiguity exists in literature about both the structural incorporation and the effect on the chemical stability of Fe2O3 and FeO. The chemical stability and its relationship to the glass structure therefore was investigated for a number of silicate base glasses, taking into consideration the following parameters (the amount of glass modifiers was kept constant at 16 mole %, equimolarly spread over Li2O, K2O, MgO and CaO): 1) Fe2Ox concentrations (x = 2 or 3) varying between 2.5 and 30 mole % (compensated by changes in SiO2 concentration); 2)Equimolar replacement of Fe2Ox by Al2O3 and Fe2Ox in all glasses listed in 1. The structural incorporation of Fe2Ox was investigated by 57 Fe Mossbauer Spectroscopy, the chemical stability by the Soxhlet corrosion test. The sample weight was measured after 14 days of corrosion, after drying and removal of the weakly bounded surface layer.

Chemisorption of SO2 at the surface of In2O3 modified by zink

International Nuclear Information System (INIS)

Vinokurova, M.V.; Derlyukova, L.E.; Vinokurov, A.A.

2005-01-01

Chemisorption of SO 2 and O 2 at the surface of In 2 O 3 involving zink addition (0.4-2.7 at.%) are investigated in the temperature range 22-200 Deg C. No less than three forms of sorbed SO 2 are available at the surface of modified In 2 O 3 . Temperature effects on the ratio of forms of SO 2 sorption and, consequently, on varying the electric conductivity. Previous sorption of O 2 is favorable to the formation of donor form of chemisorbed SO 2 [ru

Microscopic characterization of Fe nanoparticles formed on SrTiO3(001 and SrTiO3(110 surfaces

Directory of Open Access Journals (Sweden)

Miyoko Tanaka

2016-06-01

Full Text Available Fe nanoparticles grown on SrTiO3 (STO {001} and {110} surfaces at room temperature have been studied in ultrahigh vacuum by means of transmission electron microscopy and scanning tunnelling microscopy. It was shown that some Fe nanoparticles grow epitaxially. They exhibit a modified Wulff shape: nanoparticles on STO {001} surfaces have truncated pyramid shapes while those on STO {110} surfaces have hexagonal shapes. From profile-view TEM images, approximate values of the adhesion energy of the nanoparticles for both shapes are obtained.

Tuning the nonlinear optical absorption in Au/BaTiO3 nanocomposites with gold nanoparticle concentration

Science.gov (United States)

Bijeesh, M. M.; Shakhi, P. K.; Varier, Geetha K.; Nandakumar, P.

2018-06-01

We report on the nonlinear optical absorption coefficient of Au/BaTiO3 nanocomposite films and its dependence on gold nanoparticle concentration. Au/BaTiO3 nanocomposite films with different molar ratio of Au/Ba are prepared by sol-gel technique and characterized by X-ray diffraction, UV Visible absorption spectroscopy and high resolution transmission electron microscopy. An open aperture Z-scan technique is employed to study the third order nonlinear optical properties of Au/BaTiO3 thin films. An Nd:YAG laser operating at 532 nm wavelength having a pulse width of 5 ns is used for the measurements. The two-photon absorption coefficient of the films increases linearly with gold nanoparticle concentration and significant enhancement of nonlinear optical absorption is observed. This ability to fine tune the nonlinear optical coefficients of Au/BaTiO3 films would be handy in optical device applications.

Bi2O3 nanoparticles encapsulated in surface mounted metal-organic framework thin films

Science.gov (United States)

Guo, Wei; Chen, Zhi; Yang, Chengwu; Neumann, Tobias; Kübel, Christian; Wenzel, Wolfgang; Welle, Alexander; Pfleging, Wilhelm; Shekhah, Osama; Wöll, Christof; Redel, Engelbert

2016-03-01

We describe a novel procedure to fabricate a recyclable hybrid-photocatalyst based on Bi2O3@HKUST-1 MOF porous thin films. Bi2O3 nanoparticles (NPs) were synthesized within HKUST-1 (or Cu3(BTC)2) surface-mounted metal-organic frame-works (SURMOFs) and characterized using X-ray diffraction (XRD), a quartz crystal microbalance (QCM) and transmission electron microscopy (TEM). The Bi2O3 semiconductor NPs (diameter 1-3 nm)/SURMOF heterostructures exhibit superior photo-efficiencies compared to NPs synthesized using conventional routes, as demonstrated via the photodegradation of the nuclear fast red (NFR) dye.We describe a novel procedure to fabricate a recyclable hybrid-photocatalyst based on Bi2O3@HKUST-1 MOF porous thin films. Bi2O3 nanoparticles (NPs) were synthesized within HKUST-1 (or Cu3(BTC)2) surface-mounted metal-organic frame-works (SURMOFs) and characterized using X-ray diffraction (XRD), a quartz crystal microbalance (QCM) and transmission electron microscopy (TEM). The Bi2O3 semiconductor NPs (diameter 1-3 nm)/SURMOF heterostructures exhibit superior photo-efficiencies compared to NPs synthesized using conventional routes, as demonstrated via the photodegradation of the nuclear fast red (NFR) dye. Electronic supplementary information (ESI) available. See DOI: 10.1039/c6nr00532b

Electron transport investigation of layered MoO3 oxides doped with different concentrations of Nb2O5 oxide

International Nuclear Information System (INIS)

Al-Khawaja, S.; Kasem, M.

2008-07-01

The dc and ac electric conductivity has been studied for numerous samples of molybdenum oxide MoO 3 doped with niobium oxide Nb 2 O 5 elaborated via the solid state reactions. By means of the electric resistivity and dielectricity curves obtained as a function of temperature, and according to the dopant concentration, the behaviour of these compounds has been allocated. Most of the investigated samples, which are insulating at room temperature, have been witnessed to exhibit simultaneously two different electric comportments; metallic and semiconducting within the range of low and high temperatures respectively, designated by a critical temperature related to the nature of the material. Both of these behaviours are attributed electronically to ionic conduction mechanism, occurring in the solid material formed upon doping with Nb 2 O 5 , which is utterly diffused into the layered structure of MoO 3 particularly for x≥40% concentrations and accompanied by relaxation in the dielectric function between 5 Hz and 13 M Hz.(Authors)

Surface structure of alpha-Fe sub 2 O sub 3 nanocrystal observed by O K-edge X-ray absorption spectroscopy

CERN Document Server

Zhang, J; Ibrahim, K; Abbas, M I; Ju, X

2003-01-01

X-ray absorption near edge structure (XANES) spectra is used as a probe of surface structure of alpha-Fe sub 2 O sub 3 nanocrystal, prepared by sol-gel method. We present O K-edge XANES of alpha-Fe sub 2 O sub 3 in nanocrystal and bulk by total electron yield at the photoemission station of Beijing Synchrotron Radiation Facility. The spectrum of alpha-Fe sub 2 O sub 3 shows a splitting of the pre-edge structure, which is interpreted as two subsets of Fe 3d t sub 2 sub g and e sub g orbitals in oxygen octahedral (O sub h) crystal field, and is also sensitive to long-range order effects. However, no distinguishable splitting of the pre-edge peak of nanocrystal alpha-Fe sub 2 O sub 3 is observed. This suggests that there exists the distorted octahedral coordination around Fe sites and also the long-range disorder due to the surface as compared with bulk alpha-Fe sub 2 O sub 3.

Magneto-optical properties of BiFeO3 thin films using surface plasmon resonance technique

International Nuclear Information System (INIS)

Paliwal, Ayushi; Sharma, Anjali; Tomar, Monika; Gupta, Vinay

2014-01-01

Indigeneously assembled surface plasmon resonance (SPR) set up has been exploited to study the magnetic field dependent optical properties of BiFeO 3 thin films. BiFeO 3 thin films have been deposited onto gold (Au) coated glass prism by using pulsed laser deposition technique. The surface plasmon modes in prism/Au/BiFeO 3 /air structure have been excited in Kretschmann configuration at the interface of Au/BiFeO 3 thin films. The SPR reflectance curves obtained for prism/Au/BiFeO 3 /air structure were utilized to investigate the optical properties of BiFeO 3 thin films at optical frequency (λ=633 nm) as a function of applied magnetic field. SPR curves shows a continuous shift towards lower angles with increasing applied magnetic field, which indicate the promising application of ferromagnetic BiFeO 3 film as a magnetic field sensor. Complex dielectric constant of deposited BiFeO 3 film was determined by fitting the experimental SPR data with Fresnel's equations. The variation of complex dielectric constant and refractive index of BiFeO 3 film was studied with increase in magnetic field, and the sensitivity of magnetic field sensor was found to be about 0.52 RIU/T

Changes in nutrients and decay rate of Ginkgo biloba leaf litter exposed to elevated O3 concentration in urban area

Directory of Open Access Journals (Sweden)

Wei Fu

2018-03-01

Full Text Available Ground-level ozone (O3 pollution has been widely concerned in the world, particularly in the cities of Asia, including China. Elevated O3 concentrations have potentially influenced growth and nutrient cycling of trees in urban forest. The decomposition characteristics of urban tree litters under O3 exposure are still poorly known. Ginkgo biloba is commonly planted in the cities of northern China and is one of the main tree species in the urban forest of Shenyang, where concentrations of ground-level O3 are very high in summer. Here, we hypothesized that O3 exposure at high concentrations would alter the decomposition rate of urban tree litter. In open-top chambers (OTCs, 5-year-old G. biloba saplings were planted to investigate the impact of elevated O3 concentration (120 ppb on changes in nutrient contents and decomposition rate of leaf litters. The results showed that elevated O3 concentration significantly increased K content (6.31 ± 0.29 vs 17.93 ± 0.40, P < 0.01 in leaves of G. biloba, significantly decreased the contents of total phenols (2.82 ± 0.93 vs 1.60 ± 0.44, P < 0.05 and soluble sugars (86.51 ± 19.57 vs 53.76 ± 2.40, P < 0.05, but did not significantly alter the contents of C, N, P, lignin and condensed tannins, compared with that in ambient air. Furthermore, percent mass remaining in litterbags after 150 days under ambient air and elevated O3 concentration was 56.0% and 52.8%, respectively. No significant difference between treatments was observed in mass remaining at any sampling date during decomposition. The losses of the nutrients in leaf litters of G. biloba showed significant seasonal differences regardless of O3 treatment. However, we found that elevated O3 concentration slowed down the leaf litter decomposition only at the early decomposition stage, but slightly accelerated the litter decomposition at the late stage (after 120 days. This study provides our understanding of the ecological processes regulating

Fingerprints of surface magnetism in Cr2O3 based exchange bias heterostructures

Science.gov (United States)

He, Xi; Wang, Yi; Binek, Ch.

2009-03-01

Magnetoelectric materials experienced a recent revival as promising components of novel spintronic devices [1, 2, 3]. Since the magnetoelectric (ME) effect is relativistically small in traditional antiferromagnetic (AF) compounds like Cr2O3 (max. αzz 4ps/m) and also cross-coupling between ferroic order parameters is typically small in the modern multiferroics, it is a challenge to electrically induce sufficient magnetization required for the envisioned device applications. In exchange bias systems the bias field depends critically on the AF interface magnetization. Hence, a strong relation between the latter and the surface magnetization of the free Cr2O3 pinning layer can be expected. Our recent research indicates that there are surface magnetic phase transitions in free Cr2O3 (111) films accompanying surface structural phase transitions. Well defined AF interface magnetization is initialized through ME annealing to T=20K. Subsequently, the interface magnetization is thermally driven through phase transitions at T=120 and 210K. Their effects on the exchange bias are studied in Cr2O3 (111)/CoPt films with the help of polar Kerr and SQUID magnetometry. [1] P. Borisov et al. Phys. Rev. Lett. 94, 117203 (2005). [2] Ch. Binek, B.Doudin, J. Phys. Condens. Matter 17, L39 (2005). [3] R. Ramesh et al. 2007 Nature Materials 6 21. Financial support by NSF through Career DMR-0547887, MRSEC DMR-0820521 and the NRI.

Surface passivation by Al2O3 and a-SiNx: H films deposited on wet-chemically conditioned Si surfaces

NARCIS (Netherlands)

Bordihn, S.; Mertens, V.; Engelhart, P.; Kersten, K.; Mandoc, M.M.; Müller, J.W.; Kessels, W.M.M.

2012-01-01

The surface passivation of p- and n-type silicon by different chemically grown SiO2 films (prepared by HNO3, H2SO4/H2O2 and HCl/H2O2 treatments) was investigated after PECVD of a-SiNx:H and ALD of Al2O3 capping films. The wet chemically grown SiO2 films were compared to thermally grown SiO2 and the

Electrical characterization of chemically modified YBa2Cu3O7-x surfaces

International Nuclear Information System (INIS)

Hunt, B.D.; Foote, M.C.; Vasquez, R.P.

1990-01-01

Results on electrical characterization of YBa 2 Cu 3 O 7-x thin-film surfaces treated with a Br/ethanol chemical etch are presented. Electrical measurements of YBa 2 Cu 3 O 7-x /Au/Nb device structures fabricated using polycrystalline, post-annealed YBa 2 Cu 3 O 7-x films with Br-etched surfaces, show improvements of approximately one or two orders of magnitude in current densities and resistivities (resistance-area products) relative to unetched devices. The existence of supercurrents in these structures has been confirmed by observation of the ac Josephson effect, and by magnetic field and temperature studies of the critical currents. The Br-etch process has produced 10x10 μm 2 devices with critical current densities greater than 400 A/cm 2 and resistivities as low as 4x10 -7 Ω cm 2

Spectral properties and laser performances of Yb3+:LaCa4O(BO3)3 crystal with high concentration doping

International Nuclear Information System (INIS)

Ji, Yuexia; Cao, Jiafeng; Xu, Jinlong; You, Zhenyu; Zhu, Zhaojie; Li, Jianfu; Wang, Yan; Tu, Chaoyang

2013-01-01

Highlights: •Yb 3+ :LaCa 4 O(BO 3 ) 3 single crystal was grown with high concentration doping. •Laser potentiality was evaluated based on the spectral and laser parameters. •Continuous wave laser operation was realized. •An output power of 0.77 W and a slope efficiency of 15.71% at 1077 nm were obtained. •The spectra and laser properties of Yb 3+ :LaCa 4 O(BO 3 ) 3 crystal were firstly reported. -- Abstract: High concentration of 15 at.% Yb 3+ doped LaCa 4 O(BO 3 ) 3 (LaCOB) crystal was grown by Czochralski technique. The absorption cross section was conclulated to be 0.63 × 10 −20 cm 2 at 977 nm and the emission cross section to be 0.39 × 10 −20 cm 2 at 1030 nm, with the FWHM of 6.15 and 33 nm respectively. Laser potentiality was evaluated based on the gain cross section σ g , the minimum inversion fraction β min and the minimum pump intensity I min , which were calculated to be 0.18 × 10 −20 cm 2 , 0.05 and 0.47 kw/cm 2 , respectively. Continuous wave laser operation was realized with an output power of 0.77 W and a slope efficiency of 15.71%. The laser emitted around 1077 nm. The radiation trapping and continuous pump mode are contributed to the lasing wavelength for present crystal

Tuning the electrocaloric effect by varying Sr concentration in ferroelectric Ba1 -xSrxTiO3

Science.gov (United States)

Lisenkov, S.; Ponomareva, I.

2018-05-01

The electrocaloric effect is investigated systematically in Ba1 -xSrxTiO3 ferroelectrics using a semiclassical direct computational approach. The data are reported for the technologically important range of Sr concentrations of 0.0-0.6, electric fields up to 1000 kV/cm, and temperatures ranging from 5 to 600 K. A detailed comparison of computational data with experimental data from the literature reveals semiquantitative agreement and suggests the origin of discrepancies. The electrocaloric change in temperature Δ T shows strong dependence on Sr concentration which offers a way to tune electrocaloric response. In particular, the maximum electrocaloric Δ T is found to decrease with the increase in Sr concentration, whereas the location of the maximum shifts towards lower temperatures following the Curie point of the ferroelectric. Surprisingly, the width of the peak in the dependence of Δ T on the initial temperature is independent of the Sr concentration but shows a strong dependence on the applied electric field. Computational data are used to propose a compositionally graded ferroelectric Ba0.70Sr0.30TiO3/Ba0.55Sr0.45TiO3/Ba0.50Sr0.50TiO3/Ba0.45Sr0.55TiO3 whose Δ T shows almost no temperature dependence in the technologically important range of temperatures and electric fields. Such a desirable feature could potentially lead to the enhancement of relative cooling power.

Antimicrobial activity of transition metal acid MoO3 prevents microbial growth on material surfaces

International Nuclear Information System (INIS)

Zollfrank, Cordt; Gutbrod, Kai; Wechsler, Peter; Guggenbichler, Josef Peter

2012-01-01

Serious infectious complications of patients in healthcare settings are often transmitted by materials and devices colonised by microorganisms (nosocomial infections). Current strategies to generate material surfaces with an antimicrobial activity suffer from the consumption of the antimicrobial agent and emerging multidrug-resistant pathogens amongst others. Consequently, materials surfaces exhibiting a permanent antimicrobial activity without the risk of generating resistant microorganisms are desirable. This publication reports on the extraordinary efficient antimicrobial properties of transition metal acids such as molybdic acid (H 2 MoO 4 ), which is based on molybdenum trioxide (MoO 3 ). The modification of various materials (e.g. polymers, metals) with MoO 3 particles or sol–gel derived coatings showed that the modified materials surfaces were practically free of microorganisms six hours after contamination with infectious agents. The antimicrobial activity is based on the formation of an acidic surface deteriorating cell growth and proliferation. The application of transition metal acids as antimicrobial surface agents is an innovative approach to prevent the dissemination of microorganisms in healthcare units and public environments. Highlights: ► The presented modifications of materials surfaces with MoO 3 are non-cytotoxic and decrease biofilm growth and bacteria transmission. ► The material is insensitive towards emerging resistances of bacteria. ► Strong potential to reduce spreading of infectious agents on inanimate surfaces.

Cobalt surface modification during γ-Fe2O3 nanoparticle synthesis by chemical-induced transition

International Nuclear Information System (INIS)

Li, Junming; Li, Jian; Chen, Longlong; Lin, Yueqiang; Liu, Xiaodong; Gong, Xiaomin; Li, Decai

2015-01-01

In the chemical-induced transition of FeCl 2 solution, the FeOOH/Mg(OH) 2 precursor was transformed into spinel structured γ-Fe 2 O 3 crystallites, coated with a FeCl 3 ·6H 2 O layer. CoCl 2 surface modified γ-Fe 2 O 3 nanoparticles were prepared by adding Co(NO 3 ) 2 during the synthesis. CoFe 2 O 4 modified γ-Fe 2 O 3 nanoparticles were prepared by adding NaOH during the surface modification with Co(NO 3 ) 2 . The CoFe 2 O 4 layer grew epitaxially on the γ-Fe 2 O 3 crystallite to form a composite crystallite, which was coated by CoCl 2 ·6H 2 O. The composite could not be distinguished using X-ray diffraction or transmission electron microscopy, since CoFe 2 O 4 and γ-Fe 2 O 3 possess similar spinel structures and lattice constants. X-ray photoelectron spectroscopy was used to distinguish them. The saturation magnetization and coercivity of the spinel structured γ-Fe 2 O 3 -based nanoparticles were related to the grain size. - Highlights: • γ-Fe 2 O 3 nanoparticles were synthesized by chemical induced transition. • CoCl 2 modified nanoparticles were prepared by additional Co(NO 3 ) 2 during synthesization. • CoFe 2 O 4 modified nanoparticles were prepared by additional Co(NO 3 ) 2 and NaOH. • The magnetism of the nanoparticles is related to the grain size

Effects of Er3+ concentration on UV/blue upconverted luminescence and a three-photon process in the cubic nanocrystalline Y2O3:Er3+

International Nuclear Information System (INIS)

Wang Xin; Shan Guiye; Chao Kefu; Zhang Youlin; Liu Ruilin; Feng Liyun; Zeng Qinghui; Sun Yajuan; Liu Yichun; Kong Xianggui

2006-01-01

Ultraviolet (UV)/blue upconverted luminescent properties of the cubic Y 2 O 3 :Er 3+ nanocrystals as a function of the erbium concentration were investigated upon 488 nm Ar + laser excitation. The remarkable decrease of upconverted emission intensity and the quenching of the 2 P 3/2 → 4 I 11/2 / 4 I 13/2 transitions were observed in the Y 2 O 3 nanocrystals with high erbium concentration. The emission spectra and the exciting power dependence of upconverted luminescent intensities reveal that the possible upconversion mechanisms are excited-state absorption (ESA) and energy transfer (ET). Moreover, a UV/violet upconverted emission spectrum of nanocrystalline Y 2 O 3 :Er 3+ upon 980 nm light excitation was also observed and a three-photon process made a contribution to this upconverted emission

Rapid adsorption of heavy metals by Fe3O4/talc nanocomposite and optimization study using response surface methodology.

Science.gov (United States)

Kalantari, Katayoon; Ahmad, Mansor B; Masoumi, Hamid Reza Fard; Shameli, Kamyar; Basri, Mahiran; Khandanlou, Roshanak

2014-07-21

Fe3O4/talc nanocomposite was used for removal of Cu(II), Ni(II), and Pb(II) ions from aqueous solutions. Experiments were designed by response surface methodology (RSM) and a quadratic model was used to predict the variables. The adsorption parameters such as adsorbent dosage, removal time, and initial ion concentration were used as the independent variables and their effects on heavy metal ion removal were investigated. Analysis of variance was incorporated to judge the adequacy of the models. Optimal conditions with initial heavy metal ion concentration of 100, 92 and 270 mg/L, 120 s of removal time and 0.12 g of adsorbent amount resulted in 72.15%, 50.23%, and 91.35% removal efficiency for Cu(II), Ni(II), and Pb(II), respectively. The predictions of the model were in good agreement with experimental results and the Fe3O4/talc nanocomposite was successfully used to remove heavy metals from aqueous solutions.

Oxidant effect of La(NO{sub 3}){sub 3}·6H{sub 2}O solution on the crystalline characteristics of nanocrystalline ZrO{sub 2} films grown by atomic layer deposition

Energy Technology Data Exchange (ETDEWEB)

Oh, Nam Khen [Graduate School of Energy Science and Technology, Chungnam National University, 99 Daehak-ro, Yuseong-gu, Daejeon 34134 (Korea, Republic of); Vacuum Center, Korea Research Institute of Standards and Science (KRISS), 267 Gajeong-ro, Yuseong-gu, Daejeon 34113 (Korea, Republic of); Kim, Jin-Tae [Vacuum Center, Korea Research Institute of Standards and Science (KRISS), 267 Gajeong-ro, Yuseong-gu, Daejeon 34113 (Korea, Republic of); Department of Nanomaterials Science and Engineering, University of Science and Technology, 217 Gajeong-ro, Yuseong-gu, Daejeon 34113 (Korea, Republic of); Kang, Goru; An, Jong-Ki; Nam, Minwoo [Vacuum Center, Korea Research Institute of Standards and Science (KRISS), 267 Gajeong-ro, Yuseong-gu, Daejeon 34113 (Korea, Republic of); Kim, So Yeon [Graduate School of Energy Science and Technology, Chungnam National University, 99 Daehak-ro, Yuseong-gu, Daejeon 34134 (Korea, Republic of); Park, In-Sung, E-mail: parkis77@hanyang.ac.kr [Institute of Nano Science and Technology, Hanyang University, 222 Wangsimni-ro, Seongdong-gu, Seoul 04763 (Korea, Republic of); Yun, Ju-Young, E-mail: jyun@kriss.re.kr [Vacuum Center, Korea Research Institute of Standards and Science (KRISS), 267 Gajeong-ro, Yuseong-gu, Daejeon 34113 (Korea, Republic of); Department of Nanomaterials Science and Engineering, University of Science and Technology, 217 Gajeong-ro, Yuseong-gu, Daejeon 34113 (Korea, Republic of)

2017-02-01

Highlights: • The La(NO{sub 3}){sub 3}·6H{sub 2}O aqua solution is introduced as an oxidant in ALD process. • The H{sub 2}O and La(NO{sub 3}){sub 3}·6H{sub 2}O lead different crystalline properties of ZrO{sub 2} films. • Concentration of La(NO{sub 3}){sub 3}·6H{sub 2}O solution minimally influences crystalline status. - Abstract: Nanocrystalline ZrO{sub 2} films were synthesized by atomic layer deposition method using CpZr[N(CH{sub 3}){sub 2}]{sub 3} (Cp = C{sub 5}H{sub 5}) as the metal precursor and La(NO{sub 3}){sub 3}·6H{sub 2}O solution as the oxygen source. La element in the deposited ZrO{sub 2} films could not be detected as its content was below the resolution limit of the X-ray photoelectron spectroscopy. The alternative introduction of La(NO{sub 3}){sub 3}·6H{sub 2}O solution to conventionally used H{sub 2}O as the oxidant effectively altered the crystalline structure, grain size, and surface roughness of the grown ZrO{sub 2} films. Specifically, the crystalline structure of the ZrO{sub 2} film changed from a mixture of tetragonal and monoclinic phases to monoclinic phase. The average grain size also increased, and the resulting film surface became rougher. The average grain sizes of the ZrO{sub 2} films prepared from La(NO{sub 3}){sub 3}·6H{sub 2}O solution at concentrations of 10, 20, 30, and 40% were 280, 256, 208, and 200 nm, respectively, whereas that prepared using H{sub 2}O oxidant was 142 nm. However, the concentration of La(NO{sub 3}){sub 3}·6H{sub 2}O solution minimally influenced the crystalline characteristics of the nanocrystalline ZrO{sub 2} films i.e., the crystalline structure, grain size, and surface roughness except for crystallite size.

Temperature-dependent surface structure, composition, and electronic properties of the clean SrTiO3(111) crystal face: Low-energy-electron diffraction, Auger-electron spectroscopy, electron energy loss, and ultraviolet-photoelectron spectroscopy studies

International Nuclear Information System (INIS)

Lo, W.J.; Somorjai, G.A.

1978-01-01

Low-energy-electron diffraction, Auger-electron spectroscopy, electron-energy-loss, and ultraviolet-photoelectron spectroscopies were used to study the structure, composition, and electron energy distribution of a clean single-crystal (111) face of strontium titanate (perovskite). The dependence of the surface chemical composition on the temperature has been observed along with corresponding changes in the surface electronic properties. High-temperature Ar-ion bombardment causes an irreversible change in the surface structure, stoichiometry, and electron energy distribution. In contrast to the TiO 2 surface, there are always significant concentrations of Ti 3+ in an annealed ordered SrTiO 3 (111) surface. This stable active Ti 3+ monolayer on top of a substrate with large surface dipole potential makes SrTiO 3 superior to TiO 2 when used as a photoanode in the photoelectrochemical cell

The effect of fluoride surface modification of ceramic TiO{sub 2} on the surface properties and biological response of osteoblastic cells in vitro

Energy Technology Data Exchange (ETDEWEB)

Tiainen, H; Knychala, J; Lyngstadaas, S P; Haugen, H J [Department of Biomaterials, Institute for Clinical Dentistry, University of Oslo, PO Box 1109 Blindern, NO-0317 Oslo (Norway); Monjo, M [Department of Fundamental Biology and Health Sciences, Research Institute on Health Sciences (IUNICS), University of the Balearic Islands, Cra. de Valldemossa, km 7.5, 07122 Palma de Mallorca (Spain); Nilsen, O [Department of Chemistry, University of Oslo, PO Box 1033 Blindern, NO-0315 Oslo (Norway); Ellingsen, J E, E-mail: h.j.haugen@odont.uio.no [Oral Research Laboratory, Institute for Clinical Dentistry, University of Oslo, PO Box 1109 Blindern, NO-0317 Oslo (Norway)

2011-08-15

This study investigates the effect of fluoride surface modification on the surface properties of polycrystalline ceramic TiO{sub 2} and the biological response of murine osteoblast cells to fluoride-modified TiO{sub 2} in vitro. Fluoride concentrations up to 9 at.% were detected and the fluoride was found to bind to the surface in a ligand exchange reaction between surface hydroxyl groups and the fluoride anions from the HF. No significant changes in the surface topography were detected. In vitro experiments were performed in order to evaluate the biological response of the MC3T3-E1 cells to the fluoride-modified ceramic TiO{sub 2} surfaces. No difference in the lactate dehydrogenase (LDH) activity was seen in comparison to unmodified samples, apart from the highest fluoride concentration ({approx}9 at.%) which was found to be more toxic to the cells. Real-time PCR analysis showed no conclusive evidence for the fluoride-induced promotion of osteoblast differentiation as no significant increase in the collagen-1, osteocalcin, or BMP-2 mRNA levels was detected on the fluoride-modified ceramic TiO{sub 2} surfaces apart from one group, which showed an elevated osteocalcin level and higher number of cells. Since the observed grain boundary corrosion is also anticipated to reduce the mechanical properties of ceramic TiO{sub 2}, this surface modification method may not be an ideal method for improving the osteogenic response of ceramic TiO{sub 2} scaffolds.

Formation of hydroxyapatite onto glasses of the CaO-MgO-SiO2 system with B2O3, Na2O, CaF2 and P2O5 additives.

Science.gov (United States)

Agathopoulos, S; Tulyaganov, D U; Ventura, J M G; Kannan, S; Karakassides, M A; Ferreira, J M F

2006-03-01

New bioactive glasses with compositions based on the CaO-MgO-SiO(2) system and additives of B(2)O(3), P(2)O(5), Na(2)O, and CaF(2) were prepared. The in vitro mineralization behaviour was tested by immersion of powders or bulk glasses in simulated body fluid (SBF). Monitoring of ionic concentrations in SBF and scanning electron microscopy (SEM) observations at the surface of the glasses were conducted over immersion time. Raman and infrared (IR) spectroscopy shed light on the structural evolution occurring at the surface of the glasses that leads to formation of hydroxyapatite.

Elevated CO2 and O3t concentrations differentially affect selected groups of the fauna in temperate forest soils

Science.gov (United States)

Gladys I. Loranger; Kurt S. Pregitzer; John S. King

2004-01-01

Rising atmospheric CO2 concentrations may change soil fauna abundance. How increase of tropospheric ozone (O3t) concentration will modify these responses is still unknown. We have assessed independent and interactive effects of elevated [CO2] and [O3t] on selected groups of soil...

Investigations of surface related electronic properties in SmB6 and LaAlO3/SrTiO3 heterostructures

Science.gov (United States)

Adhikari, Sanjay

This dissertation reports research performed on two types of two-dimensional. systems: SmB6 and LaAlO3/SrTiO3 (LAO/STO). SmB6 has been proposed to be. a topological Kondo insulator at low temperature. In order to understand carriers/. lattice dynamics and their interactions, femtosecond pump-probe spectroscopy. is performed in SmB6 single crystals and thin lms at variable temperatures. The. collective oscillation modes in GHz - THz and the change of carrier relaxations is. observed as a function of temperature. From the temperature dependent results. f 􀀀?d hybridization, opening of the hybridization gap, phonon bottleneck", and th. possible topological surface state formation is revealed. The topological surface state. should support helical Dirac dispersion with momentum-spin lockage. This dissertation. reports on current injection in SmB6 thin lm with circularly polarized light. at oblique incidence. This spin polarized photocurrent is concluded to be a direct. result of spin momentum lockage in SmB6. LAO/STO interface shows 2-dimensional electron gas (2DEG) at the interface. when the thickness of LAO is more than 3 unit cell. Carrier properties at the. LAO/STO interfaces are highly sensitive to the top surface termination of LAO. The spontaneous dissociation of water on LAO surface is systematically studied by. density functional theory and experimental surface characterizations. Extrinsic effects. from surface adsorbates were often ignored in the previous studies of the 2DEG. From the experiments, it is found that the dissociated water molecules, especially the. surface protons, strongly aect the interface density of states, electron distributions. and lattice distortions. The investigations also reveal the importance of additional. molecular water layers. These additional water layers, through hydrogen bonds, provide. an energetically feasible pathway for manipulating the surface-bonded protons. and thus, the interface electrical characteristics.

Formation of Mn3O4(001) on MnO(001): Surface and interface structural stability

International Nuclear Information System (INIS)

Bayer, Veronika; Podloucky, Raimund; Franchini, Cesare; Allegretti, Francesco; Xu, Bo; Parteder, Georg; Ramsey, Michael G.; Surnev, Svetlozar; Netzer, Falko P.

2007-01-01

X-ray absorption and photoemission spectroscopies, high-resolution electron energy loss spectroscopy, spot profile analysis low energy electron diffraction, and density functional theory calculations are employed to study the growth of (001) oriented Mn 3 O 4 surfaces on a Pd(100)-supported MnO(001) substrate, with the Hausmannite planar lattice constants aligned along the [110] direction of the underlying MnO(001) support. We show that despite the rather large lattice mismatch, abrupt interfaces may exist between rocksalt MnO and Hausmannite. We argue that this process is facilitated by the relatively low computed strain energy and we propose realistic models for the interface. An atop site registry between the Mn(O) atoms of the oxygen rich Mn 3 O 4 termination and the MnO(001) O(Mn) atoms underneath is found to be the energetically most favorable configuration. The significant planar expansion is accompanied by a large compression of the Mn 3 O 4 vertical lattice constant, yielding structural distortion of the O-Mn-O octahedral axis. Spot profile analysis low energy electron diffraction experiments show that the conversion reaction proceeds easily in both directions, thus indicating the reversible redox character of the transition

Towards advanced structural analysis of iron oxide clusters on the surface of γ-Al{sub 2}O{sub 3} using EXAFS

Energy Technology Data Exchange (ETDEWEB)

Boubnov, Alexey [Institute for Chemical Technology and Polymer Chemistry, Karlsruhe Institute of Technology, Kaiserstr. 12, D-76131 Karlsruhe (Germany); Institute of Catalysis Research and Technology, Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, D-76344 Eggenstein-Leopoldshafen (Germany); Roppertz, Andreas [Institute of Energy Process Engineering and Chemical Engineering, Chair of Reaction Engineering, Technical University of Freiberg, Fuchsmuehlenweg 9, D-09599 Freiberg (Germany); Kundrat, Matthew D. [Center for Functional Nanostructures and Institute of Physical Chemistry, Karlsruhe Institute of Technology, Kaiserstr. 12, D-76131 Karlsruhe (Germany); Mangold, Stefan [Institut für Beschleunigerphysik und Technologie (IBPT), Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, D-76344 Eggenstein-Leopoldshafen (Germany); Reznik, Boris [Institute of Applied Geosciences, Karlsruhe Institute of Technology, Kaiserstr. 12, D-76131 Karlsruhe (Germany); Jacob, Christoph R. [Center for Functional Nanostructures and Institute of Physical Chemistry, Karlsruhe Institute of Technology, Kaiserstr. 12, D-76131 Karlsruhe (Germany); Institute of Physical and Theoretical Chemistry, TU Braunschweig, Hans-Sommer-Str. 10, D-38106 Braunschweig (Germany); Kureti, Sven [Institute of Energy Process Engineering and Chemical Engineering, Chair of Reaction Engineering, Technical University of Freiberg, Fuchsmuehlenweg 9, D-09599 Freiberg (Germany); Grunwaldt, Jan-Dierk, E-mail: grunwaldt@kit.edu [Institute for Chemical Technology and Polymer Chemistry, Karlsruhe Institute of Technology, Kaiserstr. 12, D-76131 Karlsruhe (Germany); Institute of Catalysis Research and Technology, Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, D-76344 Eggenstein-Leopoldshafen (Germany)

2016-11-15

Highlights: • Analysis of isolated and oligomeric FeOx (x = 4, 5) on Al{sub 2}O{sub 3} by XANES and EXAFS. • Iron is trivalent and is mainly located at octahedral lattice sites of Al{sub 2}O{sub 3}. • Low Fe loading (0.1%) guarantees high dispersion of catalytically active iron sites. • Surface Fe-cluster on Al{sub 2}O{sub 3} and DFT-optimised Fe-doped Al{sub 2}O{sub 3} as input models for EXAFS. • Interactions of iron with support are well-accounted for using realistic models. - Abstract: Iron oxide centres are structurally investigated in 0.1% Fe/γ-Al{sub 2}O{sub 3}, which is known as highly active catalyst, for instance in the oxidation of CO. The sample was characterised by using X-ray absorption spectroscopy (XAS) in terms of X-ray absorption near-edge structure (XANES) and extended X-ray absorption fine structure (EXAFS), Mössbauer spectroscopy, X-ray diffraction (XRD) and transmission electron microscopy (TEM). These analyses evidenced high dispersion of the iron oxide entities without significant presence of bulk-like aggregates associated with the low Fe content of the catalyst. A library of structural models of Al{sub 2}O{sub 3}-supported surface Fe was created as input for EXAFS fitting. Additionally, several model structures of Fe substituting Al ions in bulk γ-Al{sub 2}O{sub 3} were created with optimised geometry based on density-functional theory (DFT) calculations. From EXAFS refinement of the best 8 out of 24 models, it was found that the trivalent Fe ions are coordinated by 4–5 oxygen atoms and are located on octahedral lattice sites of the exposed surfaces of γ-Al{sub 2}O{sub 3}. These iron oxide species exist mainly as a mixture of monomeric and binuclear species and due to the low concentration represent suitable model systems as alternative to single crystal systems for structure-function relationships.

Synthesis of BaTiO3 nanoparticles from TiO2-coated BaCO3 particles derived using a wet-chemical method

Directory of Open Access Journals (Sweden)

Yuuki Mochizuki

2014-03-01

Full Text Available BaCO3 particles coated with amorphous TiO2 precursor are prepared by a wet chemical method to produce BaTiO3 nanoparticles at low temperatures. Subsequently, we investigate the formation behavior of BaTiO3 particles and the particle growth behavior when the precursor is subjected to heat treatment. The state of the amorphous TiO2 coating on the surface of BaCO3 particles depends on the concentration of NH4HCO3, and the optimum concentration is found to be in the range 0.5–1.0 M. Thermogravimetric curves of the BaCO3 particles coated with the TiO2 precursor, prepared from BaCO3 particles of various sizes, show BaTiO3 formation occurring mainly at 550–650 °C in the case of fine BaCO3 particles. However, as evidenced from the curves, the temperature of formation of BaTiO3 shifts to higher values with an increase in the size of the BaCO3 particles. The average particle size of single phase BaTiO3 at heat-treatment temperature of 650–900 °C is observed to be in the range 60–250 nm.

Trees in urban parks and forests reduce O3, but not NO2 concentrations in Baltimore, MD, USA

Science.gov (United States)

Yli-Pelkonen, Vesa; Scott, Anna A.; Viippola, Viljami; Setälä, Heikki

2017-10-01

Trees and other vegetation absorb and capture air pollutants, leading to the common perception that they, and trees in particular, can improve air quality in cities and provide an important ecosystem service for urban inhabitants. Yet, there has been a lack of empirical evidence showing this at the local scale with different plant configurations and climatic regions. We studied the impact of urban park and forest vegetation on the levels of nitrogen dioxide (NO2) and ground-level ozone (O3) while controlling for temperature during early summer (May) using passive samplers in Baltimore, USA. Concentrations of O3 were significantly lower in tree-covered habitats than in adjacent open habitats, but concentrations of NO2 did not differ significantly between tree-covered and open habitats. Higher temperatures resulted in higher pollutant concentrations and NO2 and O3 concentration were negatively correlated with each other. Our results suggest that the role of trees in reducing NO2 concentrations in urban parks and forests in the Mid-Atlantic USA is minor, but that the presence of tree-cover can result in lower O3 levels compared to similar open areas. Our results further suggest that actions aiming at local air pollution mitigation should consider local variability in vegetation, climate, micro-climate, and traffic conditions.

Surface properties of nanostructured NiO undergoing electrochemical oxidation in 3-methoxy-propionitrile

Science.gov (United States)

Bonomo, Matteo; Marrani, Andrea Giacomo; Novelli, Vittoria; Awais, Muhammad; Dowling, Denis P.; Vos, Johannes G.; Dini, Danilo

2017-05-01

Nanostructured nickel oxide (NiO) was deposited in the configuration of thin film (thickness, l = 2-6 μm) onto fluorine-doped tin oxide (FTO) substrates via plasma-assisted rapid discharge sintering (RDS). Electrochemical cycling of RDS NiO in 3-methoxy-propionitrile (3-MPN) revealed two characteristic peaks of NiO oxidation which were associated to the surface-confined redox processes Ni(II) → Ni(III) and Ni(III) → Ni(IV). Grazing angle X-ray photoelectron spectroscopy (XPS) was conducted ex-situ on NiO electrodes in both pristine and oxidized states. Oxidized NiO samples for XPS experiments were obtained in the potentiostatic mode through the polarization of NiO at its two characteristic potentials of oxidation. The XPS analysis allowed to ascertain the electronic structure of the nanoporous NiO framework, and verify the adsorption of perchlorate and chloride anions onto NiO surface due to the compensation of the charge stored in oxidized NiO. XPS also revealed that the spectrum within the region characteristic of Ni 2p ionization does not vary considerably with the state of charge of the nickel centres. This finding is in evident contrast to what has been observed for the same system when it undergoes electrochemical oxidation in aqueous electrolyte.

Quantitative estimation of hydrogen concentration on the Ni3Al specimens surface in the process of hydrogen release

International Nuclear Information System (INIS)

Katano, Gen; Sano, Shogo; Saito, Hideo; Mori, Minoru

2000-01-01

The method to calculate the hydrogen concentration in metal specimens is given by tritium counts with the liquid scintillation counter. As segments to measure, Ni 3 Al intermetallic compound crystals were used. Tritium was charged to crystals with the method of cathode charging. The charged tritium was transported by diffusion and released from specimen surface. The tritium releasing rate was calculated from the increasing rate of tritium activity. Then the concentration of hydrogen at the surface was calculated from tritium counts. The outcome showed that the hydrogen concentration decreases at specimens surface by elapsed time. Then, the behavior of tritium diffusion was affected by doped boron (up to 0.235 atom% B and 0.470 atom% B) in Ni 3 Al crystals. As the amount of boron increased, the tritium diffusion coefficient decreased. And the hydrogen concentration varied with the amount of boron. After passing enough time, the hydrogen concentration in crystals with boron was much larger than the one without boron. Since it is very likely that the hydrogen concentration is affected by the number of hydrogen sites in the crystal, it is obvious judging by these phenomena, that by doping boron, numbers of hydrogen trapping sites were created. As the hydrogen distribution becomes homogenous after passing enough time, it is possible to measure the hydrogen concentration in all the crystals from β-ray counts at specimens surface. (author)

Surface chemistry of plasma-assisted atomic layer deposition of Al2O3 studied by infrared spectroscopy

NARCIS (Netherlands)

Langereis, E.; Keijmel, J.; Sanden, van de M.C.M.; Kessels, W.M.M.

2008-01-01

The surface groups created during plasma-assisted atomic layer deposition (ALD) of Al2O3 were studied by infrared spectroscopy. For temperatures in the range of 25–150 °C, –CH3 and –OH were unveiled as dominant surface groups after the Al(CH3)3precursor and O2 plasma half-cycles, respectively. At

Dielectric enhancement of BaTiO3/SrTiO3 superlattices with embedded Ni nanocrystals

International Nuclear Information System (INIS)

Xiong Zhengwei; Sun Weiguo; Wang Xuemin; Jiang Fan; Wu Weidong

2012-01-01

Highlights: ► The BaTiO 3 /SrTiO 3 superlattices with embedded Ni NCs were successfully fabricated by L-MBE. ► The influence with the various concentrations of Ni nanocrystals embedded in BaTiO 3 /SrTiO 3 superlattices was also discussed. ► The BaTiO 3 /SrTiO 3 superlattices with lower concentration of embedded Ni NCs had higher permittivity and dielectric loss compared with the pure BaTiO 3 /SrTiO 3 superlattices. ► The dielectric enhancement of BaTiO 3 /SrTiO 3 superlattices with embedded Ni NCs was proposed to explained by Drude quasi-free-electron theory. - Abstract: The self-organized Ni nanocrystals (NCs) were embedded in BaTiO 3 /SrTiO 3 superlattices using laser molecular beam epitaxy (L-MBE). The stress of the composite films was increased with the increasing concentration of embedded Ni NCs, as investigation in stress calculation. The influence with the various concentrations of Ni NCs embedded in BaTiO 3 /SrTiO 3 superlattices was also discussed. The internal stress of the films was too strong to epitaxial growth of BaTiO 3 /SrTiO 3 superlattices. Compared with the pure BaTiO 3 /SrTiO 3 superlattices, the BaTiO 3 /SrTiO 3 superlattices with lower concentration of embedded Ni NCs had higher permittivity and dielectric loss. Furthermore, the dielectric enhancement of BaTiO 3 /SrTiO 3 superlattices with embedded Ni NCs was proposed to explained by Drude quasi-free-electron theory.

First principles study of elemental mercury (Hg{sup 0}) adsorption on low index CoMnO{sub 3} surfaces

Energy Technology Data Exchange (ETDEWEB)

Ji, Wenchao; Su, Pingru; Tang, Qingli; Cheng, Zhiwen [School of Environmental Science and Engineering, Shanghai Jiao Tong University, Shanghai, 200240 (China); Shen, Zhemin, E-mail: zmshen@sjtu.edu.cn [School of Environmental Science and Engineering, Shanghai Jiao Tong University, Shanghai, 200240 (China); Fan, Maohong [Department of Chemical and Petroleum Engineering, University of Wyoming, Laramie, Wyoming, 82071 (United States); School of Civil and Environmental Engineering, Georgia Institute of Technology, Atlanta, Georgia, 30332 (United States)

2017-06-30

Highlights: • Hg{sup 0} adsorption on low index CoMnO{sub 3} surface was predicted by DFT method. • Hg{sup 0} is adsorbed on the CoMnO{sub 3} surface with chemisorption interaction. • Hg{sup 0} has highest adsorption energy on CoMnO{sub 3} (1 0 0) surface with Hg-Mn mechanism. • The electron transfer of Hg{sup 0} has positive relationship with adsorption energy. - Abstract: The density functional theory (DFT) is applied to predict elemental mercury (Hg{sup 0}) adsorption on CoMnO{sub 3} surface for the first time. GGA/PBE functional were selected to determine the potential Hg{sup 0} capture mechanisms. The results show that Hg{sup 0} has good affinity with CoMnO{sub 3} surfaces with chemical adsorption. The adsorption energy of Hg{sup 0}-CoMnO{sub 3} (1 0 0), Hg{sup 0}-CoMnO{sub 3} (1 0 1) and Hg{sup 0}-CoMnO{sub 3} (1 1 0) are −85.225, −72.305 and −70.729 kJ/mol, respectively. The Hg-Mn and Hg-Co mechanisms were revealed on low index surfaces. Hg{sup 0} was oxidized to its valence state of 0.236 on Mn site in CoMnO{sub 3} (1 0 0) surface. The Hg-Co interaction mechanism occurred on Hg{sup 0}-CoMnO{sub 3} (1 0 1) and Hg{sup 0}-CoMnO{sub 3} (1 1 0) with 0.209e{sup −} and 0.189e{sup −} transformation, respectively. The PDOS analysis shows that Hg-Mn interaction depends on the hybridization of Hg(s- and d-orbitals) and Mn (s-, p- and d- orbitals). However, Hg-Co interaction stems from s- and d- orbitals of Hg, which only overlapping with d- and p- orbital of Co. Both the adsorption energy and electronic structure analysis indicated that CoMnO{sub 3} catalyst performed excellent in Hg{sup 0} oxidation. Exposing CoMnO{sub 3} (1 0 0) is most favorable in Hg{sup 0} control, which provides theoretical instruction on certain crystal plane synthesis in experiment.

Ultra-low carrier concentration and surface-dominant transport in antimony-doped Bi2Se3 topological insulator nanoribbons

KAUST Repository

Hong, Seung Sae; Cha, Judy J.; Kong, Desheng; Cui, Yi

2012-01-01

A topological insulator is the state of quantum matter possessing gapless spin-locking surface states across the bulk band gap, which has created new opportunities from novel electronics to energy conversion. However, the large concentration of bulk residual carriers has been a major challenge for revealing the property of the topological surface state by electron transport measurements. Here we report the surface-state-dominant transport in antimony-doped, zinc oxide-encapsulated Bi2Se3 nanoribbons with suppressed bulk electron concentration. In the nanoribbon with sub-10-nm thickness protected by a zinc oxide layer, we position the Fermi levels of the top and bottom surfaces near the Dirac point by electrostatic gating, achieving extremely low two-dimensional carrier concentration of 2×10 11cm-2. The zinc oxide-capped, antimony-doped Bi 2Se3 nanostructures provide an attractive materials platform to study fundamental physics in topological insulators, as well as future applications. © 2012 Macmillan Publishers Limited. All rights reserved.

Ultra-low carrier concentration and surface-dominant transport in antimony-doped Bi2Se3 topological insulator nanoribbons

KAUST Repository

Hong, Seung Sae

2012-03-27

A topological insulator is the state of quantum matter possessing gapless spin-locking surface states across the bulk band gap, which has created new opportunities from novel electronics to energy conversion. However, the large concentration of bulk residual carriers has been a major challenge for revealing the property of the topological surface state by electron transport measurements. Here we report the surface-state-dominant transport in antimony-doped, zinc oxide-encapsulated Bi2Se3 nanoribbons with suppressed bulk electron concentration. In the nanoribbon with sub-10-nm thickness protected by a zinc oxide layer, we position the Fermi levels of the top and bottom surfaces near the Dirac point by electrostatic gating, achieving extremely low two-dimensional carrier concentration of 2×10 11cm-2. The zinc oxide-capped, antimony-doped Bi 2Se3 nanostructures provide an attractive materials platform to study fundamental physics in topological insulators, as well as future applications. © 2012 Macmillan Publishers Limited. All rights reserved.

The concentration effect of upconversion luminescence properties in Er3+/Yb3+-codoped Y2(MoO4)3 phosphors

International Nuclear Information System (INIS)

Lu Weili; Cheng Lihong; Sun Jiashi; Zhong Haiyang; Li Xiangping; Tian Yue; Wan Jing; Zheng Yanfeng; Huang Libo; Yu Tingting; Yu Hongquan; Chen Baojiu

2010-01-01

Y 2 (MoO 4 ) 3 :Er 3+ /Yb 3+ phosphors with fixed (varied) Er 3+ and varied (fixed) Yb 3+ concentrations were synthesized by a conventional solid-state reaction. The crystal structure of the phosphors was characterized by means of X-ray diffraction (XRD). Upon 980 nm excitation, very weak blue emission, and strong green and red upconversion emissions centered at 485, 525, 545 and 656 nm were observed. The two-photon process was confirmed to be responsible for both the green and red upconversion emissions. The effects of green upconversion emission intensity ratio ( 2 H 11/2 → 4 I 15/2 versus 4 S 3/2 → 4 I 15/2 ) and the integrated upconversion emission intensity on the Yb 3+ and Er 3+ concentrations were studied.

A DFT+U investigation of hydrogen adsorption on the LaFeO3(010) surface

NARCIS (Netherlands)

Boateng, Isaac W.; Tia, Richard; Adei, Evans; Dzade, N.Y.; Catlow, C. Richard A.; de Leeuw, Nora H.

2017-01-01

The ABO3 perovskite lanthanum ferrite (LaFeO3) is a technologically important electrode material for nickel–metal hydride batteries, energy storage and catalysis. However, the electrochemical hydrogen adsorption mechanism on LaFeO3 surfaces remains under debate. In the present study, we have

Surface Photochemistry of Adsorbed Nitrate: The Role of Adsorbed Water in the Formation of Reduced Nitrogen Species on α-Fe2O3 Particle Surfaces

NARCIS (Netherlands)

Nanayakkara, C.E.; Jayaweera, P.M.; Rubasinghege, G; Baltrusaitis, Jonas; Grassian, V.H.

2014-01-01

The surface photochemistry of nitrate, formed from nitric acid adsorption, on hematite (α-Fe2O3) particle surfaces under different environmental conditions is investigated using X-ray photoelectron spectroscopy (XPS). Following exposure of α-Fe2O3 particle surfaces to gas-phase nitric acid, a peak

Selective hydrodechlorination of 1,2-dichloroethane to ethylene over Pd-Ag/Al_2O_3 catalysts prepared by surface reduction

International Nuclear Information System (INIS)

Han, Yuxiang; Gu, Guangfeng; Sun, Jingya; Wang, Wenjuan; Wan, Haiqin; Xu, Zhaoyi; Zheng, Shourong

2015-01-01

Graphical abstract: - Highlights: • Surface reduction method was used for preparation of Pd-Ag(Cu) bimetallic catalysts. • Hydrodechlorination of 1,2-dichloroethane was investigated for production of ethylene. • Ag(Cu) selectively deposited on Pd surface during surface reduction process. • Ethylene selectivity was enhanced over Pd-Ag(Cu)/Al_2O_3 catalyst prepared by surface reduction. • Isolated Pd site is the key species for ethylene selectivity. - Abstract: Alumina supported Pd-Ag and (Cu) bimetallic catalysts (denoted as sr-Pd-Ag/Al_2O_3 or sr-Pd-Cu/Al_2O_3) with varied Pd/Ag (or Cu) ratios were prepared using the surface reduction method, and the gas-phase catalytic hydrodechlorination of 1,2-dichloroethane over the catalysts were investigated. For comparison, Pd-Ag bimetallic catalysts were prepared by the conventional co-impregnation method (denoted as im-Pd-Ag/Al_2O_3). The catalysts were characterized by N_2 adsorption, X-ray diffraction, transmission electron microscopy, X-ray photoelectron spectroscopy, and CO chemisorption. Characterization results indicated that surface reduction led to selective deposition of metallic Ag on the surface of Pd particles, while Pd and Ag just disorderly mixed in the catalyst prepared by impregnation method. Therefore, sr-Pd-Ag/Al_2O_3 exhibited a higher ethylene selectivity than im-Pd-Ag/Al_2O_3 for hydrodechlorination of 1,2-dichloroethane at a similar Ag loading amount. Moreover, among sr-Pd-Ag/Al_2O_3, sr-Pd-Cu/Al_2O_3 and im-Pd-Ag/Al_2O_3 catalysts, the ethylene selectivity decreased over these catalysts following the order: sr-Pd-Ag/Al_2O_3 > sr-Pd-Cu/Al_2O_3 > im-Pd-Ag/Al_2O_3. The present results indicate that surface reduction can be used as a potential method to synthesize catalyst with enhanced ethylene selectivity in hydrodechlorination of 1,2-dichloroethane.

Modulation of the operational characteristics of amorphous In-Ga-Zn-O thin-film transistors by In2O3 nanoparticles

International Nuclear Information System (INIS)

Lee, Min-Jung; Lee, Tae Il; Park, Jee Ho; Baik, Hong Koo; Myoung, Jae-Min; Kim, Jung Han; Chae, Gee Sung; Jun, Myung Chul; Hwang, Yong Kee; Lee, Woong

2012-01-01

The structure of thin-film transistors (TFTs) based on amorphous In-Ga-Zn-O (a-IGZO) was modified by spin coating a suspension of In 2 O 3 nanoparticles on a SiO 2 /p ++ Si layered wafer surface prior to the deposition of IGZO layer by room-temperature sputtering. The number of particles per unit area (surface density) of the In 2 O 3 nanoparticles could be controlled by applying multiple spin coatings of the nanoparticle suspension. During the deposition of IGZO, the In 2 O 3 nanoparticles initially located on the substrate surface migrated to the top of the IGZO layer indicating that they were not embedded within the IGZO layer, but they supplied In to the IGZO layer to increase the In concentration in the channel layer. As a result, the channel characteristics of the a-IGZO TFT were modulated so that the device showed an enhanced performance as compared with the reference device prepared without the nanoparticle treatment. Such an improved device performance is attributed to the nano-scale changes in the structure of (InO) n ordering assisted by increased In concentration in the amorphous channel layer. (paper)

Spin texture of the surface state of three-dimensional Dirac material Ca3PbO

Science.gov (United States)

Kariyado, Toshikaze

2015-04-01

The bulk and surface electronic structures of a candidate three-dimensional Dirac material Ca3PbO and its family are discussed especially focusing on the spin texture on the surface states. We first explain the basic features of the bulk band structure of Ca3PbO, such as emergence of Dirac fermions near the Fermi energy, and compare it with the other known three-dimensional Dirac semimetals. Then, the surface bands and spin-texture on them are investigated in detail. It is shown that the surface bands exhibit strong momentum-spin locking, which may be useful in some application for spin manipulation, induced by a combination of the inversion symmetry breaking at the surface and the strong spin-orbit coupling of Pb atoms. The surface band structure and the spin-textures are sensitive to the surface types.

Spin texture of the surface state of three-dimensional Dirac material Ca3PbO

International Nuclear Information System (INIS)

Kariyado, Toshikaze

2015-01-01

The bulk and surface electronic structures of a candidate three-dimensional Dirac material Ca 3 PbO and its family are discussed especially focusing on the spin texture on the surface states. We first explain the basic features of the bulk band structure of Ca 3 PbO, such as emergence of Dirac fermions near the Fermi energy, and compare it with the other known three-dimensional Dirac semimetals. Then, the surface bands and spin-texture on them are investigated in detail. It is shown that the surface bands exhibit strong momentum-spin locking, which may be useful in some application for spin manipulation, induced by a combination of the inversion symmetry breaking at the surface and the strong spin-orbit coupling of Pb atoms. The surface band structure and the spin-textures are sensitive to the surface types. (paper)

Electronic structure and topography of annealed SrTiO3(1 1 1) surfaces studied with MIES and STM

International Nuclear Information System (INIS)

Goemann, Anissa; Goemann, Karsten; Frerichs, Martin; Kempter, Volker; Borchardt, Guenter; Maus-Friedrichs, Wolfgang

2005-01-01

Perovskites of ABO 3 type like strontium titanate (SrTiO 3 ) are of great practical concern as materials for oxygen sensors operating at high temperatures. It is well known that the surface layer shows different properties compared to the bulk. Numerous studies exist for the SrTiO 3 (1 0 0) and (1 1 0) surfaces which have investigated the changes in the electronic structure and topography as a function of the preparation conditions. They have indicated a rather complex behaviour of the surface and the near surface region of SrTiO 3 at elevated temperatures. Up to now, the behaviour of the SrTiO 3 (1 1 1) surfaces under thermal treatment is not sufficiently known. This contribution is intended to work out the relation between alteration of the surface topography with respect to the preparation conditions and the simultaneous changes of the electronic structure. We applied scanning tunneling microscopy (STM) to investigate the surface topography and, additionally, metastable impact electron spectroscopy (MIES) to study the surface electronic structure of reconstructed SrTiO 3 (1 1 1) surfaces. The crystals were heated up to 1000 deg. C under reducing and oxidizing conditions. Both preparation conditions cause strong changes of the surface topography and electronic structure. A microfaceting of the topmost layers is found

Comparison of rheological, mechanical, electrical properties of HDPE filled with BaTiO{sub 3} with different polar surface tension

Energy Technology Data Exchange (ETDEWEB)

Su, Jun [Department of Polymer Science and Engineering, College of Materials Science and Engineering, Nanjing Tech University, Nanjing 210009 (China); College of Mechanics Engineering, Nanjing Institute of Industry Technology, Nanjing, 210023 (China); Zhang, Jun, E-mail: zhangjun@njtech.edu.cn [Department of Polymer Science and Engineering, College of Materials Science and Engineering, Nanjing Tech University, Nanjing 210009 (China)

2016-12-01

Graphical abstract: - Highlights: • The non-polar and short vinyl groups can greatly reduce G′ of HDPE composites. • Long chains on BaTiO{sub 3} surface enhance the interaction of BaTiO{sub 3} with HDPE. • Polar amino groups on BaTiO{sub 3} surface raise the interaction of BaTiO{sub 3} with HDPE. • Polar amino groups can boost the dielectric constant of HDPE composites. • The potential use in electronic equipment of the KH550 composites is obtained. - Abstract: In this work, three types of coupling agents: isopropyl trioleic titanate (NDZ105), vinyltriethoxysilane (SG-Si151), 3-aminopropyltriethoxysilane (KH550) were applied to modify the surface tension of Barium titanate (BaTiO{sub 3}) particles. The Fourier transform infrared (FT-IR) spectra confirm the chemical adherence of coupling agents to the particle surface. The long hydrocarbon chains in NDZ105 can cover the particle surface and reduce the polar surface tension of BaTiO{sub 3} from 37.53 mJ/m{sup 2} to 7.51 mJ/m{sup 2}, turning it from hydrophilic to oleophilic properties. The short and non-polar vinyl groups in SG-Si151 does not influence the surface tension of BaTiO{sub 3}, but make BaTiO{sub 3} have both hydrophilic and oleophilic properties. The polar amino in KH550 can keep BaTiO{sub 3} still with hydrophilic properties. It is found that SG-Si151 modified BaTiO{sub 3} has the lowest interaction with HDPE matrix, lowering the storage modulus of HDPE composites to the greatest extent. As for mechanical properties, the polar amino groups in KH550 on BaTiO{sub 3} surface can improve the adhesion of BaTiO{sub 3} with HDPE matrix, which increases the elongation at break of HDPE composites to the greatest extent. In terms of electrical properties, the polar amino groups on surface of BaTiO{sub 3} can boost the dielectric properties of HDPE/BaTiO{sub 3} composites and decrease the volume resistivity of HDPE/BaTiO{sub 3} composites. The aim of this study is to investigate how functional groups

Al2O3 dielectric layers on H-terminated diamond: Controlling surface conductivity

Science.gov (United States)

Yang, Yu; Koeck, Franz A.; Dutta, Maitreya; Wang, Xingye; Chowdhury, Srabanti; Nemanich, Robert J.

2017-10-01

This study investigates how the surface conductivity of H-terminated diamond can be preserved and stabilized by using a dielectric layer with an in situ post-deposition treatment. Thin layers of Al2O3 were grown by plasma enhanced atomic layer deposition (PEALD) on H-terminated undoped diamond (100) surfaces. The changes of the hole accumulation layer were monitored by correlating the binding energy of the diamond C 1s core level with electrical measurements. The initial PEALD of 1 nm Al2O3 resulted in an increase of the C 1s core level binding energy consistent with a reduction of the surface hole accumulation and a reduction of the surface conductivity. A hydrogen plasma step restored the C 1s binding energy to the value of the conductive surface, and the resistance of the diamond surface was found to be within the range for surface transfer doping. Further, the PEALD growth did not appear to degrade the surface conductive layer according to the position of the C 1s core level and electrical measurements. This work provides insight into the approaches to establish and control the two-dimensional hole-accumulation layer of the H-terminated diamond and improve the stability and performance of H-terminated diamond electronic devices.

Surface study and thickness control of thin Al2O3 film on Cu-9%Al(111) single crystal

International Nuclear Information System (INIS)

Yamauchi, Yasuhiro; Yoshitake, Michiko; Song Weijie

2004-01-01

We were successful in growing a uniform flat Al 2 O 3 film on the Cu-9%Al(111) surface using the improved cleaning process, low ion energy and short time sputtering. The growth of ultra-thin film of Al 2 O 3 on Cu-9%Al was investigated using Auger electron spectroscopy (AES) and a scanning electron microscope (SEM). The Al 2 O 3 film whose maximum thickness was about 4.0 nm grew uniformly on the Cu-9%Al surface. The Al and O KLL Auger peaks of Al 2 O 3 film shifted toward low kinetic energy, and the shifts were related to Schottky barrier formation and band bending at the Al 2 O 3 /Cu-9%Al interface. The thickness of Al 2 O 3 film on the Cu-9%Al surface was controlled by the oxygen exposure

Self-Assembly of 3D Fennel-Like Co3O4 with Thirty-Six Surfaces for High Performance Supercapacitor

Directory of Open Access Journals (Sweden)

Yanfang Li

2017-01-01

Full Text Available Three-dimensional (3D fennel-like cobalt oxide (II, III (Co3O4 particles with thirty-six surfaces on nickel foams were prepared via a simple hydrothermal synthesis method and its growth process was also researched. The crystalline structure and morphology were investigated by X-ray diffraction (XRD, scanning electron microscopy (SEM, and Raman spectroscopy. The Brunauer-Emmett-Teller (BET analysis revealed that 3D fennel-like Co3O4 particles have high specific surface area. Therefore, the special structure with thirty-six surfaces indicates the good electrochemical performance of the micron-nanometer material as electrode material for supercapacitors. The cyclic voltammetry (CV, galvanostatic charge-discharge, and electrochemical impedance spectroscopy (EIS were conducted to evaluate the electrochemical performances. Compared with other morphological materials of the similar sizes, the Co3O4 particles on nickel foam exhibit a high specific capacitance of 384.375 F·g−1 at the current density of 3 A·g−1 and excellent cycling stability of a capacitance retention of 96.54% after 1500 galvanostatic charge-discharge cycles in 6 M potassium hydroxide (KOH electrolyte.

Synthesis and fabrication of Y{sub 2}O{sub 3}:Tb{sup 3+} and Y{sub 2}O{sub 3}:Eu{sup 3+} thin films for electroluminescent applications: Optical and structural characteristics

Energy Technology Data Exchange (ETDEWEB)

Alarcón-Flores, G., E-mail: alar_fbeto@yahoo.com [Centro de Investigación en Ciencia Aplicada y Tecnología Avanzada, IPN, Legaría 694, Irrigación, C.P. 11500, México D.F. (Mexico); García-Hipólito, M. [Instituto de Investigaciones en Materiales, UNAM, Apdo. Postal 70-360, Delegación Coyoacán, C.P. 04150, México D.F. (Mexico); Aguilar-Frutis, M. [Centro de Investigación en Ciencia Aplicada y Tecnología Avanzada, IPN, Legaría 694, Irrigación, C.P. 11500, México D.F. (Mexico); Carmona-Téllez, S. [Instituto de Física, UNAM, Coyoacán, C.P. 04150, México D.F. (Mexico); Martinez-Martinez, R. [Universidad Tecnológica de la Mixteca, Carretera Acatlima Km 2.5, Huajuapan de León Oaxaca, C.P. 69000, México (Mexico); Campos-Arias, M.P. [Centro de Investigación en Ciencia Aplicada y Tecnología Avanzada, IPN, Legaría 694, Irrigación, C.P. 11500, México D.F. (Mexico); Zaleta-Alejandre, E. [Universidad Autónoma del Estado de Hidalgo-Escuela Superior de Apan, Carretera Apan-Calpulalpan Km. 8, C.P. 43920, Apan, Hidalgo (Mexico); and others

2015-01-15

Terbium, europium and yttrium β diketonates have been synthesized from acetylacetone and inorganic metal salts and used as precursors for the deposition of Tb{sup 3+} or Eu{sup 3+} doped Y{sub 2}O{sub 3} polycrystalline films by the ultrasonic spray pyrolysis technique. The films were deposited on c-Si substrates at temperatures in the 400–550 °C range. The optical and structural characterization of these films as a function of substrate temperature and Tb{sup 3+} and Eu{sup 3+} concentration was carried out by means of photoluminescence (PL), cathodoluminescence (CL), infrared (IR), ellipsometry, and UV–visible spectroscopy and atomic force microscopy (AFM), energy dispersive spectroscopy (EDS) and X ray diffraction (XRD) measurements respectively. The PL intensity from these films was found to depend on deposition temperature. Films deposited above 450 °C exhibited the characteristic PL peaks associated with either Tb{sup 3+} or Eu{sup 3+} intra electronic energy levels transitions. The most intense PL emission was found for dopant concentration of 10 at% for Tb{sup 3+} and at 8 at% for Eu{sup 3+} ions into precursor solution. In both cases concentration quenching of the PL emission was observed for concentrations above these values. The films had a refractive index (1.81), low average surface roughness (∼62 Å) and a UV–Vis. transmission of the order of 90 %T. - Highlights: • Terbium, europium and yttrium β diketonates have been synthesized. • Luminescent thin films of Y{sub 2}O{sub 3}:Tb{sup 3+} and Y{sub 2}O{sub 3}:Eu{sup 3+} were obtained. • Optical and structural characteristics of these thin films are presented. • The films had a refractive index (1.81) and low average surface roughness (∼62 Å)

Surface modification of Fe_2O_3/Fe_3O_4 nanocomposites for use in immobilization of glucose oxidase

International Nuclear Information System (INIS)

Albuquerque, I.L.T.; Santos, P.T.A.; Costa, A.C.F.M.; Oliveira, L.S.C.

2017-01-01

The increase in the number of people with diabetes in recent years and the high cost-benefit ratio of the existing biosensor technology have increased the interest for the development of glucose detection biosensor based on immobilization of glucose-oxidase (GOD) mainly using magnetic nanoparticles. In this context, nanocomposites of Fe_2O_3/Fe_3O_4 were prepared by combustion reaction and their surface was functionalized with 3-aminopropyltriethoxysilane via silanization reaction and with chitosan via functionalization to obtain a hybrid material that was evaluated as possible GOD immobilizer. The samples were characterized by powder X-ray diffraction, Fourier transform infrared spectroscopy, thermogravimetry, scanning electron microscopy, transmission electron microscopy, magnetic properties and in vitro cytotoxicity. The results revealed that it was possible to obtain the ferrimagnetic composite, the surface modification reduced the saturation magnetization, but maintained the ferrimagnetic characteristics, and all samples were considered non-toxic. For preliminary testing of the GOD immobilization it was revealed that the nanocomposite modified with silane and chitosan showed the better result, about 2.7 mg of immobilized GOD for 100 mg of nanocomposite, which makes this material a potential alternative to manufacture GOD biosensors. (author)

Total column density variations of ozone (O3 O3 O3) in presence of ...

Indian Academy of Sciences (India)

−3). In case of O4, an absorbance of. O2–O2 by Greenblatt et al (1990) is calculated as absorbance A is given by: A = σ[O2]2 l,. (2) where l is the optical path length (cm), [O2] is the concentration of oxygen (molecules cm. −3), σ is the absorption cross section with the unit of cm5 molecule. −2. The absorption cross sections of.

Selective removal of U(VI) from low concentration wastewater by functionalized HKUST-1@H3PW12O40

International Nuclear Information System (INIS)

Hui Zhang; Jinhua Xue; Nan Hu; Jing Sun; Dexin Ding; Yongdong Wang; Le Li

2016-01-01

The adsorption of U(VI) from low concentration solution by HKUST-1@H 3 PW 12 O 40 was studied as a function of various experimental parameters including pH, interfering ions, contact time, initial uranium concentration and temperature by batch experiments. Equilibrium data were found to fit with Langmuir isotherm model better than Freundlich isotherm model. The kinetic adsorption was fitted by the pseudo-second-order model well. Thermodynamic data from the adsorption experiments indicate that adsorption process is spontaneous and endothermic. HKUST-1@H 3 PW 12 O 40 can selectively adsorb U(VI) from multi-metal ion solutions and the adsorption capacity of HKUST-1@H 3 PW 12 O 40 don't decrease significantly after three cycles of desorption-reuse. The results show that HKUST-1@H 3 PW 12 O 40 is suitable for removal of U(VI) from low concentration solutions. (author)

Theoretical study of methanol synthesis from CO2 and CO hydrogenation on the surface of ZrO2 supported In2O3 catalyst

Science.gov (United States)

Dou, Maobin; Zhang, Minhua; Chen, Yifei; Yu, Yingzhe

2018-06-01

The interactions between ZrO2 support and In2O3 catalyst play pivotal role in the catalytic conversion of CO2 to methanol. Herein, a density functional theory study has been conducted to research the mechanism of methanol synthesis from CO2 and CO hydrogenation on the defective ZrO2 supported In2O3(110) surface (D surface). The calculations reveal that methanol is produced mainly via the HCOO reaction pathway from CO2 hydrogenation on D surface, and the hydrogenation of HCOO to form H2COO species with an activation barrier of 1.21 eV plays the rate determining step for the HCOO reaction pathway. The direct dissociation of CO2 to CO on D surface is kinetically and energetically prohibited. Methanol synthesis from CO hydrogenation on D surface is much facile comparing with the elementary steps involved in CO2 hydrogenation. The rate determining step of CO hydrogenation to methanol is the formation of H3CO species on the vacancy site with a barrier of 0.51 eV. ZrO2 support has significant effect on the suppressing of the dissociation of CO2 and stabilization of H2COO species on the surface of In2O3 catalyst.

Effect of BaTiO3 Nanopowder Concentration on Rheological Behaviour of Ceramic Inkjet Inks

Science.gov (United States)

Kyrpal, R.; Dulina, I.; Ragulya, A.

2015-04-01

The relationship between rheological properties of ceramic inkjet inks based on BaTiO3 nanopowder and solid phase concentration has been investigated. In the ink volume takes place the formation periodic colloidal structures (PCS). The determining factor of structure formation is powder-dispersant ratio. Structural constitution of in the system with the low pigment concentration represented as PCS2, that contains solid particles in deflocculated that stabilized by the presence of adsorption-solvate layers. Dilatant structure formation for such inks explained by constrained conditions of the interaction. Samples with high BaTiO3 concentration have been classified as PKS1. Dilatant properties of the PKS1 resulted in particles rearrangement under the influence of the flow. In the region of some values powder-dispersant ratio take place conversation PKS2 to PKS1 and ink structure transformation from monodisperse to aggregate state.

Tuning the electronic properties at the surface of BaBiO{sub 3} thin films

Energy Technology Data Exchange (ETDEWEB)

Ferreyra, C. [GIyA y INN, CNEA, Av.Gral Paz 1499, (1650), San Martín, Buenos Aires (Argentina); Departamento de Física, Facultad Ciencias Exactas y Naturales, Universidad de Buenos Aires (Argentina); Guller, F.; Llois, A. M.; Vildosola, V. [GIyA y INN, CNEA, Av.Gral Paz 1499, (1650), San Martín, Buenos Aires (Argentina); Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET) (Argentina); Marchini, F.; Williams, F. J. [Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET) (Argentina); Departamento de Química Inorgánica, Analítica y Química-Física, INQUIMAE-CONICET, Facultad Ciencias Exactas y Naturales, Universidad de Buenos Aires, Pabellón 2, Ciudad Universitaria, Buenos Aires (Argentina); Lüders, U. [CRISMAT, CNRS UMR 6508, ENSICAEN, 6 Boulevard Maréchal Juin, 14050 Caen Cedex 4 (France); Albornoz, C. [GIyA y INN, CNEA, Av.Gral Paz 1499, (1650), San Martín, Buenos Aires (Argentina); Leyva, A. G. [GIyA y INN, CNEA, Av.Gral Paz 1499, (1650), San Martín, Buenos Aires (Argentina); Escuela de Ciencia y Tecnología, UNSAM, Campus Miguelete, (1650), San Martín, Buenos Aires (Argentina); and others

2016-06-15

The presence of 2D electron gases at surfaces or interfaces in oxide thin films remains a hot topic in condensed matter physics. In particular, BaBiO{sub 3} appears as a very interesting system as it was theoretically proposed that its (001) surface should become metallic if a Bi-termination is achieved (Vildosola et al., PRL 110, 206805 (2013)). Here we report on the preparation by pulsed laser deposition and characterization of BaBiO{sub 3} thin films on silicon. We show that the texture of the films can be tuned by controlling the growth conditions, being possible to stabilize strongly (100)-textured films. We find significant differences on the spectroscopic and transport properties between (100)-textured and non-textured films. We rationalize these experimental results by performing first principles calculations, which indicate the existence of electron doping at the (100) surface. This stabilizes Bi ions in a 3+ state, shortens Bi-O bonds and reduces the electronic band gap, increasing the surface conductivity. Our results emphasize the importance of surface effects on the electronic properties of perovskites, and provide strategies to design novel oxide heterostructures with potential interface-related 2D electron gases.

[Characteristics of Dissolved CH₄ and N₂O Concentrations of Weihe River in Xinxiang Section in Spring].

Science.gov (United States)

Hou, Cui-cui; Zhang, Fang; Li, Ying-chen; Wang, Qi-bo; Liu, Sai

2016-05-15

Distributions of CH₄ and N₂O concentrations in Weihe River in Xinxiang City were monitored in spring of 2015, and their influencing factors were discussed. The result showed that CH₄ and N₂O were super-saturated in surface water of Weihe River. The variation ranges of two gases' saturations in the surface water of Weihe River were 147.59-2667.85 (CH₄) and 4.06-188.25 (N₂O). In the urban area, significant correlation existed between N₂O and NH₄⁺-N concentrations (P urban sewage plants, illustrating that the controlling mechanism on N₂O production varied as pollutant characteristics changed. Stepwise regression analysis showed that CH₄ concentrations could be explained by NH₄⁺-N concentrations and water temperature, and CH₄ concentrations in the surface water of Weihe River was significantly correlated with NH₄⁺-N concentrations (R² = 0.70, P River in spring. Besides, this study showed that when there was less NO₃⁻-N but more NH₄⁺-N in river water, CH₄and N₂O concentrations would be positively correlated, indicating that different nitrogen sources would impact the coupling mechanism of CH₄and N₂O productions.

Magnetic Fe{sub 3}O{sub 4}-Au core-shell nanostructures for surface enhanced Raman scattering

Energy Technology Data Exchange (ETDEWEB)

Wheeler, D.A.; Adams, S.A.; Zhang, J.Z. [Department of Chemistry and Biochemistry, University of California, Santa Cruz, Santa Cruz, CA 95064 (United States); Lopez-Luke, T. [Department of Chemistry and Biochemistry, University of California, Santa Cruz, Santa Cruz, CA 95064 (United States); Cento de Investigaciones en Optica, A.P. 1-948 Leon, Gto. 37150 (Mexico); Torres-Castro, A. [Universidad Autonoma de Nuevo Leon, A.P. 126-F, Monterrey, NL, 66450 (Mexico)

2012-11-15

The synthesis, structural and optical characterization, and application of superparamagnetic and water-dispersed Fe{sub 3}O{sub 4}-Au core-shell nanoparticles for surface enhanced Raman scattering (SERS) is reported. The structure of the nanoparticles was determined by scanning transmission electron microscopy (STEM) and high-resolution transmission electron microscopy (HRTEM). STEM images of the Fe{sub 3}O{sub 4}-Au core-shell nanoparticles reveal an average diameter of 120 nm and a high degree of surface roughness. The nanoparticles, which display superparamagnetic properties due to the core Fe{sub 3}O{sub 4} material, exhibit a visible surface plasmon resonance (SPR) peaked at 580 nm due to the outer gold shell. The nanoparticles are used as a substrate for surface enhanced Raman scattering (SERS) with rhodamine 6G (R6G) as a Raman reporter molecule. The SERS enhancement factor is estimated to be on the order of 10{sup 6}, which is {proportional_to} 2 times larger than that of conventional gold nanoparticles (AuNPs) under similar conditions. Significantly, magnetically-induced aggregation of the Fe{sub 3}O{sub 4}-Au core-shell nanoparticles substantially enhanced SERS activity compared to non-magnetically-aggregated Fe{sub 3}O{sub 4}-Au nanoparticles. This is attributed to both increased scattering from the aggregates as well as ''hot spots'' due to more junction sites in the magnetically-induced aggregates. The magnetic properties of the Fe{sub 3}O{sub 4} core, coupled with the optical properties of the Au shell, make the Fe{sub 3}O{sub 4}-Au nanoparticles unique for various potential applications including biological sensing and therapy. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Interactions in YBa2Cu3O7-x aqueous suspensions

International Nuclear Information System (INIS)

Dusoulier, Laurent; Cloots, Rudi; Vertruyen, Benedicte; Garcia-Fierro, Jose L.; Moreno, Rodrigo; Ferrari, Begona

2009-01-01

Surface charging mechanism of YBa 2 Cu 3 O 7-x (YBCO) particles in water has been investigated in order to understand their colloidal behaviour and stabilise concentrated suspensions. A broad study relating the suspension parameters (pH and zeta potential) vs. the conditions of the suspension performance (atmosphere and time) has been shown and discussed. The zeta potential values remain positive in all the pH range for the highest powder concentration studied (10 g l -1 ), evidencing a large influence of the solid content in the particle charge. The chemistry of YBa 2 Cu 3 O 7-x in water has been studied through the chemical analysis of the supernatant by inductively coupled plasma (ICP), and the surface analysis of the particles by X-ray diffraction analysis (XRD) and X-ray photoelectron spectroscopy (XPS). The presence of BaCO 3 , CuO, and the hydrolysed Ba species, such as Ba(OH) 2 and Ba(OH) + , at the particles surface has been evaluated as a function of the powder concentration. Based on these analyses, the dependence of the colloidal behaviour of YBCO on the presence of Ba soluble species has been determined. A stabilisation mechanism for YBCO particles in aqueous suspension focus on the powders deleterious minimization was proposed.

Oxygen-vacancy defects on BaTiO3 (001) surface: a quantum chemical study

International Nuclear Information System (INIS)

Duque, Carlos; Stashans, Arvids

2003-01-01

A quantum-chemical study of technologically important BaTiO 3 crystal and oxygen-vacancy defects on its (001) surface is reported in the present work. The computations are made using a quantum-chemical method developed for periodic systems (crystals), which is based on the Hartree-Fock theory. The atomic rearrangement due to the surface creation is obtained for a pure BaTiO 3 by means of the periodic large unit cell (LUC) model and using an automated geometry optimisation procedure. The same technique is employed to study the electronic and structural properties of the material due to the presence of an O vacancy and F centre (two electrons trapped in an oxygen vacancy). The computations are carried out for both cubic and tetragonal lattices

Surface structural reconstruction of SrVO3 thin films on SrTiO3 (001)

Science.gov (United States)

Wang, Gaomin; Saghayezhian, Mohammad; Chen, Lina; Guo, Hangwen; Zhang, Jiandi

Paramagnetic metallic oxide SrVO3>(SVO) is an itinerant system known to undergo thickness-induced metal-insulator-transition (MIT) in ultrathin film form, which makes it a prototype system for the study of the mechanism behind metal-insulator-transition like structure distortion, electron correlations and disorder-induced localization. We have grown SrVO3 thin film with atomically flat surface through the layer-by-layer deposition by laser Molecular Beam Epitaxy (laser-MBE) on SrTiO3 (001) surface. Low Energy Electron Diffraction (LEED) measurements reveal that there is a (√2X √2) R45°surface reconstruction independent of film thickness. By using LEED-I(V) structure refinement, we determine the surface structure. In combination with X-ray Photoelectron Spectroscopy (XPS) and Scanning Tunneling Microscopy (STM), we discuss the implication on the MIT in ultrathin films below 2-3 unit cell thickness. This work is supported by the National Science Foundation under the NSF EPSCoR Cooperative Agreement No. EPS-1003897 with additional support from the Louisiana Board of Regents.

Single bubble dynamic behavior in AL{sub 2}O{sub 3}/H{sub 2}O nanofluid on downward-facing heating surface

Energy Technology Data Exchange (ETDEWEB)

Wang, Yun; Wu, Junmei [State Key Laboratory for Strength and Vibration of Mechanical Structures, School of Nuclear Science and Technology, Xi' an Jiaotong University, Xi' an (China)

2016-08-15

After a severe accident to the nuclear reactor, the in-vessel retention strategy is a key way to prevent the leakage of radioactive material. Nanofluid is a steady suspension used to improve heat-transfer characteristics of working fluids, formed by adding solid particles with diameters below 100 nm to the base fluids, and its thermal physical properties and heat-transfer characteristics are much different from the conventional working fluids. Thus, nanofluids with appropriate nanoparticle type and volume concentration can enhance the heat-transfer process. In this study, the moving particle semi-implicit method-meshless advection using flow-directional local grid method is used to simulate the bubble growth, departure, and sliding on the downward-facing heating surface in pure water and nanofluid (1.0 vol.% Al2O3/H2O) flow boiling processes; additionally, the bubble critical departure angle and sliding characteristics and their influence are also investigated. The results indicate that the bubble in nanofluid departs from the heating surface more easily and the critical departure inclined angle of nanofluid is greater than that of pure water. In addition, the influence of nanofluid on bubble sliding is not significant compared with pure water.

Temperature and concentration quenching of Tb3+ emissions in Y4Al2O9 crystals

International Nuclear Information System (INIS)

Boruc, Z.; Fetlinski, B.; Kaczkan, M.; Turczynski, S.; Pawlak, D.; Malinowski, M.

2012-01-01

Highlights: ► Spectroscopic properties of Tb 3+ :Y 4 Al 2 O 9 crystals are studied. ► Concentration and temperature dependencies of fluorescence are investigated. ► The cross-relaxation transfer rates are experimentally determined. ► Strong influence of cross relaxation process on 5 D 3 emission quenching is observed. ► Decays are modelled using Inokuti–Hirayama approach. - Abstract: Spectroscopic properties of trivalent terbium (Tb 3+ ) activated Y 4 Al 2 O 9 (abbreviated YAM) crystals were studied. Concentration and temperature dependent emission spectra and fluorescence dynamics profiles have been investigated in YAM:Tb 3+ in order to understand better processes responsible for quenching of the terbium 5 D 3 and 5 D 4 emissions. Decays were modelled using Inokuti–Hirayama approach to obtain information on the energy transfer mechanism. The cross-relaxation transfer rates were experimentally determined as a function of temperature and Tb 3+ concentration. The investigation revealed strong influence of cross-relaxation process on 5 D 3 emission quenching. The two different processes responsible for the increase of fluorescence quenching with growing temperature were observed, both related to thermal activation energy. For temperatures above 700 K, the temperature dependence of the emission intensity ratio ( 5 D 3 / 5 D 4 ) becomes linear and the decay times are rapidly decreasing monotonously with increasing temperature, what is confirming the potential of Y 4 Al 2 O 9 :Tb 3+ material in high temperature luminescence thermometry.

Thermal stability of SiO{sub 2}–B{sub 2}O{sub 3}–Al{sub 2}O{sub 3}–Na{sub 2}O–CaO glasses with high Nd{sub 2}O{sub 3} and MoO{sub 3} concentrations

Energy Technology Data Exchange (ETDEWEB)

Chouard, Nolwenn [Chimie ParisTech, PSL Research University, CNRS, Institut de Recherche de Chimie Paris (IRCP), 75005, Paris (France); Laboratoire d' Etude et Développement des Matrices de Conditionnement, CEA/DEN/DTCD/SECM, Marcoule, 30207, Bagnols-sur-Cèze (France); Caurant, Daniel, E-mail: daniel.caurant@chimie-paristech.fr [Chimie ParisTech, PSL Research University, CNRS, Institut de Recherche de Chimie Paris (IRCP), 75005, Paris (France); Majérus, Odile; Guezi-Hasni, Nadia [Chimie ParisTech, PSL Research University, CNRS, Institut de Recherche de Chimie Paris (IRCP), 75005, Paris (France); Dussossoy, Jean-Luc [Laboratoire des Matériaux et Procédés Actifs, CEA/DEN/DTCD/SECM/LMPA, Marcoule, 30207, Bagnols-sur-Cèze (France); Baddour-Hadjean, Rita; Pereira-Ramos, Jean-Pierre [Groupe Electrochimie et Spectroscopie des Matériaux (UMR CNRS 7182), Institut de Chimie et des Matériaux Paris-Est, 94320, Thiais (France)

2016-06-25

The incorporation of high MoO{sub 3} amounts in borosilicate glasses developed for the immobilization of radioactive waste may lead to the crystallization of Mo-rich phases that may induce a decrease of the long term performances of glasses. It is thus essential to understand their crystallization mechanisms and the possible effect of other abundant fission products present in the wastes (such as rare earths) in order to control or to avoid their formation during glass preparation. This paper presents a study, performed by X-ray diffraction, scanning electron microscopy, Raman and optical absorption spectroscopies of the stability as a function of the thermal treatment temperature T{sub C} of a simplified Mo-rich nuclear waste glass. The impact of the addition of a high amount of Nd{sub 2}O{sub 3} on the thermal stability of this glass is studied. For comparison, the thermal stability of a Nd{sub 2}O{sub 3}-rich glass without Mo is also presented. The crystallization range of all phases formed in these glasses (CaMoO{sub 4}, Na{sub 2}MoO{sub 4}, Ca{sub 2}Nd{sub 8}(SiO{sub 4}){sub 6}O{sub 2} (apatite)) and the evolution of their structure and microstructure as a function of T{sub C} are presented. The introduction of Nd{sub 2}O{sub 3} in the MoO{sub 3}-rich glass inhibits the crystallization of molybdates (increase of Mo solubility), as long as apatite does not form which suggests that [MoO{sub 4}]{sup 2-} entities and Nd{sup 3+} cations are close to each other in the glass structure. Besides, when a high density of apatite crystals form, for instance from glass surface, small Mo-rich partially crystallized globular heterogeneities are observed between these crystals that exacerbate the nucleation of new apatite crystals (nucleating effect). - Highlights: • Effect of MoO{sub 3} and Nd{sub 2}O{sub 3} separately or together on glass crystallization is studied. • The crystallization range of molybdates and apatite (Ca{sub 2}Nd{sub 8}(SiO{sub 4}){sub 6}O{sub 2}) was

In vitro cytotoxicity tests of ZnO‐Bi{sub 2}O{sub 3}‐Mn{sub 2}O{sub 3}-based varistor fabricated from ZnO micro and nanoparticle powders on L929 mouse cells

Energy Technology Data Exchange (ETDEWEB)

Sendi, Rabab Khalid, E-mail: last-name3@hotmail.com, E-mail: shahromx@hotmail.com, E-mail: ameerah7@hotmail.com; Mahmud, Shahrom, E-mail: last-name3@hotmail.com, E-mail: shahromx@hotmail.com, E-mail: ameerah7@hotmail.com; Munshi, Ayman, E-mail: last-name3@hotmail.com, E-mail: shahromx@hotmail.com, E-mail: ameerah7@hotmail.com [Nano-optoelectronics Research and Technology Laboratory (N.O.R.), School of Physics, Universiti Sains Malaysia, 11800, Penang (Malaysia); Seeni, Azman, E-mail: azanseeni@gmail.com [Advanced Medical and Dental Institute (AMDI), Universiti Sains Malaysia, 13200, Bertam, Pulau Pinang (Malaysia)

2014-10-24

The present study investigated the cytotoxicity of ZnO‐Bi{sub 2}O{sub 3}‐Mn{sub 2}O{sub 3}-varistors. To this effect, ZnO‐Bi{sub 2}O{sub 3}‐Mn{sub 2}O{sub 3} varistors fabricated from ZnO micro-and nanoparticle powders are prepared via conventional ceramic processing method. The effects of ZnO particle size on the properties of ZnO varistors are also investigated. The strong solid-state reaction during sintering may be attributed to the high surface area of the 20 nm ZnO nanoparticles that promote strong surface reaction. The intensity of XRD peaks reflected the high degree of crystallinity of the ZnO nanoparticles. However, the width of the peaks in case of ZnO nanoparticles has increased due to the quantum size effect. The cytotoxicity evaluation of ZnO varistor was conducted on mouse connective tissue fibroblast cells (L929) using Trypan Blue Exclusion Assay analysis. The results show that the four types of varistor samples lead to cellular mitochondrial dysfunction, morphological modifications and apoptosis at the various concentration range and the toxic effects are obviously displayed in high concentration samples. 20nm-VDR is the most toxic materials followed by 40nm-VDR, P8-VDR, and W4-VDR in a descending order.

Investigations on the local structures of Cu2+ at various BaO concentrations in 59B2O3-10K2O-(30-x)ZnO-xBaO-1CuO glasses

Science.gov (United States)

Jin, Jia-Rui; Wu, Shao-Yi; Hong, Jian; Liu, Shi-Nan; Song, Min-Xian; Teng, Bao-Hua; Wu, Ming-He

2017-11-01

The local structures and electron paramagnetic resonance (EPR) parameters for Cu2+ in 59B2O3-10K2O-(30-x)ZnO-xBaO-1CuO (BKZBC) glasses are theoretically investigated with distinct modifier BaO concentrations x (= 0, 6, 12, 18, 24 and 30 mol %). The ? clusters are found to undergo the relative tetragonal elongations of about 13.5 and 5.0% at zero and higher BaO concentrations. The concentration dependences of the measured d-d transition bands, g factors and A// are suitably reproduced from the Fourier type functions or sign functions of the relevant quantities with x by using only six adjustable parameters. The features of the EPR parameters and the local structures of Cu2+ are analysed in a consistent way by considering the differences in the local ligand field strength and electronic cloud admixtures around Cu2+ under addition of Ba2+ with the highest ionicity and polarisability. The present theoretical studies would be helpful to the researches on the structures, optical and EPR properties for the similar potassium barium zinc borate glasses containing copper with variation concentration of modifier BaO.

Enhanced Conductivity at the Interface of Li2O ratio B2O3 Nanocomposites: Atomistic Models

International Nuclear Information System (INIS)

Islam, Mazharul M.; Bredow, Thomas; Indris, Sylvio; Heitjans, Paul

2007-01-01

A theoretical investigation at density-functional level of Li ion conduction at the interfaces in Li 2 O ratio B 2 O 3 nanocomposites is presented. The structural disorder at the Li 2 O(111) ratio B 2 O 3 (001) interface leads to reduced defect formation energies for Li vacancies and Frenkel defects compared to Li 2 O surfaces. The average activation energy for Li + diffusion in the interface region is in the range of the values for Li 2 O. It is therefore concluded that the enhanced Li conductivity of Li 2 O ratio B 2 O 3 nanocomposites is mainly due to the increased defect concentration

DFT studies of elemental mercury oxidation mechanism by gaseous advanced oxidation method: Co-interaction with H2O2 on Fe3O4 (111) surface

Science.gov (United States)

Zhou, Changsong; Song, Zijian; Zhang, Zhiyue; Yang, Hongmin; Wang, Ben; Yu, Jie; Sun, Lushi

2017-12-01

Density functional theory calculations have been carried out for H2O2 and Hg0 co-interaction on Fe3O4 (111) surface. On the Fetet1-terminated Fe3O4 (111) surface, the most favored configurations are H2O2 decomposition and produce two OH groups, which have strong interaction with Hg atom to form an OHsbnd Hgsbnd OH intermediate. The adsorbed OHsbnd Hgsbnd OH is stable and hardly detaches from the catalyst surface due to the highly endothermic process. A large amount of electron transfer has been found from Hg to the produced OH groups and has little irreversible effect on the Fe3O4 (111) surface. On the Feoct2-terminated Fe3O4 (111) surface, the Feoct2 site is more active than Fetet1 site. H2O2 decomposition and Hg0 oxidation processes are more likely to occur due to that the Feoct2 site both contains Fe2+ and Fe3+ cations. The calculations reveal that Hg0 oxidation by the OH radical produced from H2O2 is energetically favored. Additionally, Hg0 and H2O2 co-interaction mechanism on the Fe3O4 (111) interface has been investigated on the basis of partial local density of state calculation.

Ta2O5/ Al2O3/ SiO2 - antireflective coating for non-planar optical surfaces by atomic layer deposition

Science.gov (United States)

Pfeiffer, K.; Schulz, U.; Tünnermann, A.; Szeghalmi, A.

2017-02-01

Antireflective coatings are essential to improve transmittance of optical elements. Most research and development of AR coatings has been reported on a wide variety of plane optical surfaces; however, antireflection is also necessary on nonplanar optical surfaces. Physical vapor deposition (PVD), a common method for optical coatings, often results in thickness gradients on strongly curved surfaces, leading to a failure of the desired optical function. In this work, optical thin films of tantalum pentoxide, aluminum oxide and silicon dioxide were prepared by atomic layer deposition (ALD), which is based on self-limiting surface reactions. The results demonstrate that ALD optical layers can be deposited on both vertical and horizontal substrate surfaces with uniform thicknesses and the same optical properties. A Ta2O5/Al2O3/ SiO2 multilayer AR coating (400-700 nm) was successfully applied to a curved aspheric glass lens with a diameter of 50 mm and a center thickness of 25 mm.

Limited effect of urban tree vegetation on NO2 and O3 concentrations near a traffic route

International Nuclear Information System (INIS)

Grundström, Maria; Pleijel, Håkan

2014-01-01

Concentrations of NO 2 and O 3 were measured inside and outside a dense broad-leaved forest canopy adjacent to a busy traffic route in the City of Gothenburg, Sweden, with duplicate passive diffusion samplers during six one-week periods starting well before leaf senescence and ending when leaves were largely senescent. Concentrations of NO 2 were lower inside the forest canopy during all periods (representing a significant effect, p = 0.016), on average by 7% or 2.7 μg m −3 . O 3 showed a more variable response with an average non-significant effect of 2% lower in the forest stand. There was no systematic trend of the difference in concentrations inside and outside the forest stand of the pollutants with the progression of autumn leaf senescence. Our study indicates that the effect of urban vegetation on air pollution concentrations is small, although it seems to exist for NO 2 in a traffic polluted environment. - Highlights: • NO 2 was reduced by 7% inside an urban forest stand compared to outside. • The magnitude of the effect was not related to autumn senescence. • For O 3 the effect was smaller and non-significant. - Urban vegetation had limited effect on local air pollution

Magneto-optical properties of BiFeO{sub 3} thin films using surface plasmon resonance technique

Energy Technology Data Exchange (ETDEWEB)

Paliwal, Ayushi; Sharma, Anjali [Department of Physics and Astrophysics, University of Delhi, Delhi 110007 (India); Tomar, Monika [Physics Department, Miranda House, University of Delhi, Delhi 110007 (India); Gupta, Vinay, E-mail: drguptavinay@gmail.com [Department of Physics and Astrophysics, University of Delhi, Delhi 110007 (India)

2014-09-01

Indigeneously assembled surface plasmon resonance (SPR) set up has been exploited to study the magnetic field dependent optical properties of BiFeO{sub 3} thin films. BiFeO{sub 3} thin films have been deposited onto gold (Au) coated glass prism by using pulsed laser deposition technique. The surface plasmon modes in prism/Au/BiFeO{sub 3}/air structure have been excited in Kretschmann configuration at the interface of Au/BiFeO{sub 3} thin films. The SPR reflectance curves obtained for prism/Au/BiFeO{sub 3}/air structure were utilized to investigate the optical properties of BiFeO{sub 3} thin films at optical frequency (λ=633 nm) as a function of applied magnetic field. SPR curves shows a continuous shift towards lower angles with increasing applied magnetic field, which indicate the promising application of ferromagnetic BiFeO{sub 3} film as a magnetic field sensor. Complex dielectric constant of deposited BiFeO{sub 3} film was determined by fitting the experimental SPR data with Fresnel's equations. The variation of complex dielectric constant and refractive index of BiFeO{sub 3} film was studied with increase in magnetic field, and the sensitivity of magnetic field sensor was found to be about 0.52 RIU/T.

Tuning the electronic properties of LaAlO3/SrTiO3 interfaces by irradiating the LaAlO3 surface with low-energy cluster ion beams

Science.gov (United States)

Ridier, Karl; Aureau, Damien; Bérini, Bruno; Dumont, Yves; Keller, Niels; Vigneron, Jackie; Etcheberry, Arnaud; Domengès, Bernadette; Fouchet, Arnaud

2018-01-01

We have investigated the effects of low-energy ion beam irradiations using argon clusters on the chemical and electronic properties of LaAlO3/SrTiO3 (LAO/STO) heterointerfaces by combining x-ray photoelectron spectroscopy (XPS) and electrical transport measurements. Due to its unique features, we demonstrate that a short-time cluster ion irradiation of the LAO surface induces significant modifications in the chemical properties of the buried STO substrate with (1) a lowering of Ti atoms oxidation states (from Ti4 + to Ti3 + and Ti2 +) correlated to the formation of oxygen vacancies at the LAO surface and (2) the creation of new surface states for Sr atoms. Contrary to what is generally observed by using higher energy ion beam techniques, this leads to an increase of the electrical conductivity at the LAO/STO interface. Our XPS data clearly reveal the existence of dynamical processes on the titanium and strontium atoms, which compete with the effect of the cluster ion beam irradiation. These relaxation effects are in part attributed to the diffusion of the ion-induced oxygen vacancies in the entire heterostructure since an increase of the interfacial metallicity is also evidenced far from the irradiated area. This paper highlights the possibility of tuning the electrical properties of LAO/STO interfaces by surface engineering, confirming experimentally the intimate connection between LAO chemistry and electronic properties of LAO/STO interfaces.

Exposure of metallic copper surface on Cu-Al2O3-carbon catalysts

NARCIS (Netherlands)

Menon, P.G.; Prasad, J.

1970-01-01

The bifunctional nature of Cu---Al2O3-on-carbon catalysts, used in the direct catalytic conversion of ethanol to ethyl acetate, prompted an examination of the dispersion of Cu on the composite catalyst. For this, the N2O-method of Osinga et al. for estimation of bare metallic copper surface on

The adsorption of Run (n = 1-4) on γ-Al2O3 Surface: A DFT study

Science.gov (United States)

Liu, Zhe; Guo, Yafei; Chen, Yu; Shen, Rong

2018-05-01

The density functional theory (DFT) was adopted to study the adsorption and growth of Run (n = 1-4) clusters on γ-Al2O3 surface, which is of great significances for the design of many important catalysts, especially for carbon dioxide methanation. It is found that both the Rusbnd Ru bond length and adsorption energy Eads of Ru clusters with the surface increase with the Run clusters increasing. The growth ability of the supported Run cluster is weaker than the gas phase Run clusters through comparing their respective growth process, which ascribes to the stabilization of γ-Al2O3 support. An interesting discovery is that the basin structure was supposed to be the most favorable adsorption geometry for Run clusters. Additionally, the distances between Ru atoms in the adsorbed clusters are longer than that in their isolated counterparts. Bader charge analysis was conducted for the most stable configurations of Run (n = 1-4) clusters on γ-Al2O3 surface as well. And the results suggest that Run (n = 1-4) clusters serve as the electron donators. The result of projected density of states (PDOS) shows that strong adsorption of Ru atom on the γ-Al2O3 surface correlates with strong interaction between d orbital of Ru atom and p orbital of Al or O atom of the Al2O3 support.

Luminescent Properties of Surface Functionalized BaTiO3 Embedded in Poly(methyl methacrylate)

Science.gov (United States)

Requena, Sebastian; Lacoul, Srijan; Strzhemechny, Yuri M.

2014-01-01

As-received BaTiO3 nanopowders of average grain sizes 50 nm and 100 nm were functionalized by (3-aminopropyl)triethoxysilane (APTES) and mixed with poly(methyl methacrylate)/toluene solution. The nanocomposite solution was spin coated on Si substrates to form thin films. The photoluminescence spectrum of the pure powder was composed of a bandgap emission at 3.0 eV and multiple bands centered about 2.5 eV. Surface functionalization of the BaTiO3 powder via APTES increases overall luminescence at room temperature while only enhancing bandgap emission at low-temperature. Polymer coating of the functionalized nanoparticles significantly enhances bandgap emissions while decreasing emissions associated with near-surface lattice distortions at 2.5 eV. PMID:28788468

Luminescent Properties of Surface Functionalized BaTiO3 Embedded in Poly(methyl methacrylate

Directory of Open Access Journals (Sweden)

Sebastian Requena

2014-01-01

Full Text Available As-received BaTiO3 nanopowders of average grain sizes 50 nm and 100 nm were functionalized by (3-aminopropyltriethoxysilane (APTES and mixed with poly(methyl methacrylate/toluene solution. The nanocomposite solution was spin coated on Si substrates to form thin films. The photoluminescence spectrum of the pure powder was composed of a bandgap emission at 3.0 eV and multiple bands centered about 2.5 eV. Surface functionalization of the BaTiO3 powder via APTES increases overall luminescence at room temperature while only enhancing bandgap emission at low-temperature. Polymer coating of the functionalized nanoparticles significantly enhances bandgap emissions while decreasing emissions associated with near-surface lattice distortions at 2.5 eV.

First-principles study of the adsorption of methanol at the α-Al2O3(0001) surface

International Nuclear Information System (INIS)

Borck, Oeyvind; Schroeder, Elsebeth

2006-01-01

We present density functional theory calculations of methanol molecular adsorption at the (0001) surface of α-Al 2 O 3 , for methanol coverages of 1/4 to 1 monolayer (ML). Adsorption energies, adsorption-induced restructuring of the surface, and induced changes to the electronic structure are calculated. We find that methanol bonds with its O atom to Al atoms at the α-Al 2 O 3 (0001) surface with an adsorption energy of 1.23 eV at coverage 1/4 ML, decreasing with coverage to 1.03 eV at 1 ML coverage. From calculations of the relaxed adsorption geometry and the angular dependence of the total energy, we predict an orientation of the adsorbed methanol molecule that has the molecular COH plane tilted away from the surface normal. The adsorption of methanol significantly restructures α-Al 2 O 3 (0001), especially for the outermost Al layer. Upon adsorption a small charge transfer from the molecule to the substrate takes place

Nano surface engineering of Mn 2 O 3 for potential light-harvesting application

KAUST Repository

Kar, Prasenjit; Sardar, Samim; Ghosh, Srabanti; Parida, Manas R.; Liu, Bo; Mohammed, Omar F.; Lemmens, Peter; Pal, Samir Kumar

2015-01-01

Manganese oxides are well known applied materials including their use as efficient catalysts for various environmental applications. Multiple oxidation states and their change due to various experimental conditions are concluded to be responsible for their multifaceted functionality. Here we demonstrate that the interaction of a small organic ligand with one of the oxide varieties induces completely new optical properties and functionalities (photocatalysis). We have synthesized Mn2O3 microspheres via a hydrothermal route and characterized them using scanning electron microscopy (SEM), X-ray diffraction (XRD) and elemental mapping (EDAX). When the microspheres are allowed to interact with the biologically important small ligand citrate, nanometer-sized surface functionalized Mn2O3 (NPs) are formed. Raman and Fourier transformed infrared spectroscopy confirm the covalent attachment of the citrate ligand to the dangling bond of Mn at the material surface. While cyclic voltammetry (CV) and X-ray photoelectron spectroscopy (XPS) analysis confirm multiple surface charge states after the citrate functionalization of the Mn2O3 NPs, new optical properties of the surface engineered nanomaterials in terms of absorption and emission emerge consequently. The engineered material offers a novel photocatalytic functionality to the model water contaminant methylene blue (MB). The effect of doping other metal ions including Fe3+ and Cu2+ on the optical and catalytic properties is also investigated. In order to prepare a prototype for potential environmental application of water decontamination, we have synthesized and duly functionalized the material on the extended surface of a stainless steel metal mesh (size 2 cm × 1.5 cm, pore size 150 μm × 200 μm). We demonstrate that the functionalized mesh always works as a "physical" filter of suspended particulates. However, it works as a "chemical" filter (photocatalyst) for the potential water soluble contaminant (MB) in the presence

Microwave surface resistance of bulk YBa2Cu3O6+x material

Science.gov (United States)

Fathy, A.; Kalokitis, D.; Belohoubek, E.; Sundar, H. G. K.; Safari, A.

1988-10-01

Superconducting Y-Ba-Cu-O samples were prepared by conventional solid-state reaction. The microwave surface resistance of 1:2:3 compound superconductor material was measured in a special disk resonator structure at 10 GHz. At liquid-nitrogen temperatures the microwave surface resistance is comparable to that of Au. At lower temperature (~10 K) the surface resistance is an order of magnitude lower than that of Au at the same temperature.

Sorption of U(VI) in surfaces of SrTiO{sub 3}; Sorcion de U(VI) en superficies de SrTiO{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Ortiz O, H.B.; Ordonez R, E.; Fernandez V, S.M. [ININ, 52045 Ocoyoacac, Estado de Mexico (Mexico)

2004-07-01

In this work is presented the physico chemical characterization and evaluation of those surface properties and of sorption of U on the SrTiO{sub 3} like possible candidate for contention barrier in the deep geological confinement. The made studies showed that the SrTiO{sub 3} presents maximum levels of sorption of positive nature species (mainly UO{sub 2}{sup 2+} and UO{sub 2}NO{sub 3}{sup +}). (Author)

First-principles study of the (001) surface of cubic Ba0.5Sr0.5TiO3

International Nuclear Information System (INIS)

Wang, Yuan Xu

2008-01-01

We have theoretically investigated basic properties of the (001) surface of cubic Ba 0.5 Sr 0.5 TiO 3 (BST) by the plane-wave pseudopotential method within the local-density approximation. For the BaSrO 2 -terminated surface, the surface-layer Sr atoms move inward and the surface-layer Ba atoms move outward. Moreover, the displacement of the surface-layer Sr atoms is much larger than the surface-layer Ba atoms. The rumpling of the BaSrO 2 -terminated surface is much larger than that of the Ti 2 O 4 -terminated one. The surface state appears in the band structure of the Ti 2 O 4 -terminated surface of BST. Based on the results of the calculated grand thermodynamic potential, only the BaSrO 2 -terminated surface can exist in the (001) surface of cubic BST. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Evolution of the SrTiO3/MoO3 interface electronic structure: An in situ photoelectron spectroscopy study

KAUST Repository

Du, Yuanmin; Peng, Haiyang; Mao, Hongying; Jin, Kexin; Wang, Hong; Li, Feng; Gao, Xingyu; Chen, Wei; Wu, Tao

2015-01-01

Modifying the surface energetics, particularly the work function, of advanced materials is of critical importance for a wide range of surface- and interface-based devices. In this work, using in situ photoelectron spectroscopy, we investigated the evolution of electronic structure at the SrTiO3 surface during the growth of ultrathin MoO3 layers. Thanks to the large work function difference between SrTiO3 and MoO3, the energy band alignment on the SrTiO3 surface is significantly modified. The charge transfer and dipole formation at the SrTiO3/MoO3 interface leads to a large modulation of work function and an apparent doping in SrTiO3. The measured evolution of electronic structure and upward band bending suggest that the growth of ultrathin MoO3 layers is a powerful tool to modulate the surface energetics of SrTiO3, and this surface-engineering approach could be generalized to other functional oxides.

Evolution of the SrTiO3/MoO3 interface electronic structure: An in situ photoelectron spectroscopy study

KAUST Repository

Du, Yuanmin

2015-05-12

Modifying the surface energetics, particularly the work function, of advanced materials is of critical importance for a wide range of surface- and interface-based devices. In this work, using in situ photoelectron spectroscopy, we investigated the evolution of electronic structure at the SrTiO3 surface during the growth of ultrathin MoO3 layers. Thanks to the large work function difference between SrTiO3 and MoO3, the energy band alignment on the SrTiO3 surface is significantly modified. The charge transfer and dipole formation at the SrTiO3/MoO3 interface leads to a large modulation of work function and an apparent doping in SrTiO3. The measured evolution of electronic structure and upward band bending suggest that the growth of ultrathin MoO3 layers is a powerful tool to modulate the surface energetics of SrTiO3, and this surface-engineering approach could be generalized to other functional oxides.

Combustion synthesis and catalytic activity of LaCoO{sub 3} for HMX thermal decomposition

Energy Technology Data Exchange (ETDEWEB)

Wei, Zhi-Xian; Chi, Ying-Nan [Department of Chemistry, Institute for Chemical Physics, Beijing Institute of Technology (China); Hu, Chang-Wen [State Key Laboratory of Explosion Science, Technology Beijing Institute of Technology, Beijing (China); Liu, Hai-Yan [Department of Chemistry, Science Institute, North China University, Taiyuan, Shanxi (China)

2009-10-15

Perovskite-type LaCoO{sub 3} was prepared by stearic acid solution combustion method and characterized by XRD, DSC-TG, and XPS techniques. The catalytic activities of LaCoO{sub 3} for HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine) thermal decomposition were investigated. The as-prepared LaCoO{sub 3} shows higher activity than the calcined one. This could be due to higher concentration of surface-adsorbed oxygen and hydroxyl species as well as higher BET surface area of the as-prepared LaCoO{sub 3}. (Abstract Copyright [2009], Wiley Periodicals, Inc.)

Surface properties of nanostructured NiO undergoing electrochemical oxidation in 3-methoxy-propionitrile

International Nuclear Information System (INIS)

Bonomo, Matteo; Marrani, Andrea Giacomo; Novelli, Vittoria; Awais, Muhammad; Dowling, Denis P.; Vos, Johannes G.; Dini, Danilo

2017-01-01

Highlights: • NiO porous thin films were prepared via RDS technique. • NiO electrodes were characterized in a nitrile based electrochemical cell. • NiO electrodes were studied by means of XPS. • The XP spectra excluded the formation of phases other than NiO. • The presence of ClO 4 − as charge balancing species was evidenced. - Abstract: Nanostructured nickel oxide (NiO) was deposited in the configuration of thin film (thickness, l = 2–6 μm) onto fluorine-doped tin oxide (FTO) substrates via plasma-assisted rapid discharge sintering (RDS). Electrochemical cycling of RDS NiO in 3-methoxy-propionitrile (3-MPN) revealed two characteristic peaks of NiO oxidation which were associated to the surface-confined redox processes Ni(II) → Ni(III) and Ni(III) → Ni(IV). Grazing angle X-ray photoelectron spectroscopy (XPS) was conducted ex-situ on NiO electrodes in both pristine and oxidized states. Oxidized NiO samples for XPS experiments were obtained in the potentiostatic mode through the polarization of NiO at its two characteristic potentials of oxidation. The XPS analysis allowed to ascertain the electronic structure of the nanoporous NiO framework, and verify the adsorption of perchlorate and chloride anions onto NiO surface due to the compensation of the charge stored in oxidized NiO. XPS also revealed that the spectrum within the region characteristic of Ni 2p ionization does not vary considerably with the state of charge of the nickel centres. This finding is in evident contrast to what has been observed for the same system when it undergoes electrochemical oxidation in aqueous electrolyte.

Surface properties of nanostructured NiO undergoing electrochemical oxidation in 3-methoxy-propionitrile

Energy Technology Data Exchange (ETDEWEB)

Bonomo, Matteo [Department of Chemistry, University of Rome “La Sapienza”, Piazzale Aldo Moro 5, 00185 Rome (Italy); Marrani, Andrea Giacomo, E-mail: andrea.marrani@uniroma1.it [Department of Chemistry, University of Rome “La Sapienza”, Piazzale Aldo Moro 5, 00185 Rome (Italy); Novelli, Vittoria [Department of Chemistry, University of Rome “La Sapienza”, Piazzale Aldo Moro 5, 00185 Rome (Italy); Awais, Muhammad [Department of Industrial Engineering, “King Abdulaziz” University, Rabigh (Saudi Arabia); Solar Energy Conversion Strategic Research Cluster, University College Dublin (UCD), Belfield, Dublin 4 (Ireland); Dowling, Denis P. [Solar Energy Conversion Strategic Research Cluster, University College Dublin (UCD), Belfield, Dublin 4 (Ireland); School of Mechanical and Materials Engineering, University College Dublin (UCD), Belfield, Dublin 4 (Ireland); Vos, Johannes G. [School of Chemical Sciences, Dublin City University (DCU), Glasnevin, Dublin 9 (Ireland); Dini, Danilo [Department of Chemistry, University of Rome “La Sapienza”, Piazzale Aldo Moro 5, 00185 Rome (Italy); Solar Energy Conversion Strategic Research Cluster, University College Dublin (UCD), Belfield, Dublin 4 (Ireland)

2017-05-01

Highlights: • NiO porous thin films were prepared via RDS technique. • NiO electrodes were characterized in a nitrile based electrochemical cell. • NiO electrodes were studied by means of XPS. • The XP spectra excluded the formation of phases other than NiO. • The presence of ClO{sub 4}{sup −} as charge balancing species was evidenced. - Abstract: Nanostructured nickel oxide (NiO) was deposited in the configuration of thin film (thickness, l = 2–6 μm) onto fluorine-doped tin oxide (FTO) substrates via plasma-assisted rapid discharge sintering (RDS). Electrochemical cycling of RDS NiO in 3-methoxy-propionitrile (3-MPN) revealed two characteristic peaks of NiO oxidation which were associated to the surface-confined redox processes Ni(II) → Ni(III) and Ni(III) → Ni(IV). Grazing angle X-ray photoelectron spectroscopy (XPS) was conducted ex-situ on NiO electrodes in both pristine and oxidized states. Oxidized NiO samples for XPS experiments were obtained in the potentiostatic mode through the polarization of NiO at its two characteristic potentials of oxidation. The XPS analysis allowed to ascertain the electronic structure of the nanoporous NiO framework, and verify the adsorption of perchlorate and chloride anions onto NiO surface due to the compensation of the charge stored in oxidized NiO. XPS also revealed that the spectrum within the region characteristic of Ni 2p ionization does not vary considerably with the state of charge of the nickel centres. This finding is in evident contrast to what has been observed for the same system when it undergoes electrochemical oxidation in aqueous electrolyte.

Preparation and tribological properties of surface-modified nano-Y{sub 2}O{sub 3} as additive in liquid paraffin

Energy Technology Data Exchange (ETDEWEB)

Yu Lin, E-mail: gych@gdut.edu.cn [School of Chemical Engineering and Light Industry, Guangdong University of Technology, Guangzhou 510006 (China); Zhang Lin; Ye Fei; Sun Ming; Cheng Xiaoling; Diao Guiqiang [School of Chemical Engineering and Light Industry, Guangdong University of Technology, Guangzhou 510006 (China)

2012-12-15

Highlights: Black-Right-Pointing-Pointer Nano-Y{sub 2}O{sub 3} was for the first time used as lubricant additive in liquid paraffin. Black-Right-Pointing-Pointer The nano-Y{sub 2}O{sub 3} modified by a coupling-grafting method shows good dispersibility in liquid paraffin. Black-Right-Pointing-Pointer The surface-modified nano-Y{sub 2}O{sub 3} considerably improves the tribological performances of liquid paraffin. - Abstract: Surface-modified nano-Y{sub 2}O{sub 3} was prepared by a coupling-grafting method with vinyl methylerichlorosilane and methyl methacrylate as the coupling agent and grafting agent, respectively. The prepared samples were characterized by X-ray diffraction (XRD), Fourier transform infrared spectra (FT-IR), transmission electron micrograph (TEM) and thermal gravimetric analysis (TGA). The tribological properties of the surface-modified nano-Y{sub 2}O{sub 3} as additive in liquid paraffin were evaluated with a four-ball tester. The results show that the nano-Y{sub 2}O{sub 3} keeps its original crystalline structure after surface modification, and the modified nano-Y{sub 2}O{sub 3} forms a core-shell structure with an average particle size of 24.5 nm. The maximum non-seizure load (P{sub B} value) and sintered load (P{sub D} value) increase by 25% and 26.9%, respectively, when compared with those of liquid paraffin, and the wear scar diameter (WSD) also decrease by 21% when 0.10% surface-modified nano-Y{sub 2}O{sub 3} was added. The protective inorganic-organic film formed by nano-Y{sub 2}O{sub 3} and organic modifiers plays an important role in the improved tribological properties of liquid paraffin.

Fractal approach to surface roughness of TiO{sub 2}/WO{sub 3} coatings formed by plasma electrolytic oxidation process

Energy Technology Data Exchange (ETDEWEB)

Rožić, L.J., E-mail: ljrozic@nanosys.ihtmbg.ac.rs [University of Belgrade, IChTM-Department of Catalysis and Chemical Engineering, Njegoševa 12, Belgrade (Serbia); Petrović, S.; Radić, N. [University of Belgrade, IChTM-Department of Catalysis and Chemical Engineering, Njegoševa 12, Belgrade (Serbia); Stojadinović, S. [University of Belgrade, Faculty of Physics, Studentski trg 12-16, Belgrade (Serbia); Vasilić, R. [Faculty of Environmental Governance and Corporate Responsibility, Educons University, Vojvode Putnika 87, Sremska Kamenica (Serbia); Stefanov, P. [Institute of General and Inorganic Chemistry, Bulgarian Academy of Sciences, Sofia 1113 (Bulgaria); Grbić, B. [University of Belgrade, IChTM-Department of Catalysis and Chemical Engineering, Njegoševa 12, Belgrade (Serbia)

2013-07-31

In this study, we have shown that atomic force microscopy is a powerful technique to study the fractal parameters of TiO{sub 2}/WO{sub 3} coatings prepared by plasma electrolytic oxidation (PEO) process. Since the surface roughness of obtained oxide coatings affects their physical properties, an accurate description of roughness parameters is highly desirable. The surface roughness, described by root mean squared and arithmetic average values, is analyzed considering the scans of a series of atomic force micrographs. The results show that the oxide coatings exhibit lower surface roughness in initial stage of PEO process. Also, the surfaces of TiO{sub 2}/WO{sub 3} coatings exhibit fractal behavior. Positive correlation between the fractal dimension and surface roughness of the surfaces of TiO{sub 2}/WO{sub 3} coatings in initial stage of PEO process was found. - Highlights: • TiO{sub 2}/WO{sub 3} coatings were obtained by plasma electrolytic oxidation. • Oxide coatings exhibit lower surface roughness in initial stage of process. • The surfaces of TiO{sub 2}/WO{sub 3} coatings exhibit fractal behavior.

Sb2S3 surface modification induced remarkable enhancement of TiO2 core/shell nanowries solar cells

International Nuclear Information System (INIS)

Meng, Xiuqing; Wang, Xiaozhou; Zhong, Mianzeng; Wu, Fengmin; Fang, Yunzhang

2013-01-01

This study presents the fabrication of a novel dye-sensitized solar cell with Sb 2 S 3 -modified TiO 2 nanowire (NW) arrays/TiO 2 nanoparticles (NP) (TiO 2(NWs) /TiO 2(NPs) /Sb 2 S 3 ) as the anodes and N719 dye as the sensitizer. A solar conversion efficiency of 4.91% at 1 sun illumination was achieved for the composite cell, which is markedly higher than the efficiency rates obtained using TiO 2 and TiO 2(NWs) /Sb 2 S 3 /TiO 2(NPs) NW cells, calculated at 2.36% and 3.11%, respectively. The improved efficiency results from the large surface area of the NPs, as well as the expansion of the light absorption region and high absorption coefficient by Sb 2 S 3 surface modification. - Graphical abstract: A novel TiO 2(NWs) /TiO 2(NPs) /Sb 2 S 3 dye sensitized solar cells (DSSCs) is fabricated, a solar conversion efficiency of 4.91 % at 1 sun illumination is achieved. Highlights: ► We fabricate sandwich structured TiO 2 dye-sensitized solar cells. ► The anode of the solar cells consist of Sb 2 S 3 modified TiO 2 nanowire arrays/TiO 2 nanopartices. ► A solar conversion efficiency of 4.91% at 1 sun illumination is achieved. ► The high efficiency results from large surface area and expanded light adsorption of the anode

Influence of excess sodium ions on the specific surface area formation in a NiO-Al2O3 catalyst prepared by different methods

Directory of Open Access Journals (Sweden)

Lazić M.M.

2008-01-01

Full Text Available The influence of sodium ions on the specific surface area of a NiO-Al2O3 catalyst in dependence of nickel loading (5, 10, and 20 wt% Ni, temperature of heat treatment (400, 700 and 1100oC and the method of sample preparation was investigated. Low temperature nitrogen adsorption (LTNA, X-ray diffraction (XRD and scanning electron microscopy (SEM were applied for sample characterization. Dramatic differences in the specific surface area were registered between non-rinsed and rinsed Al2O3 and NiO-Al2O3 samples. The lagged sodium ions promote sintering of non-rinsed catalyst samples.

Adsorption of small palladium clusters on the relaxed α-Al2O3(0001) surface

DEFF Research Database (Denmark)

Gomes, J.R.B.; Lodziana, Zbiegniew; Illas, F.

2003-01-01

of supported Pd-3 is largely distorted from the gas-phase equilibrium geometry whereas the structure of supported Pd-4 is less distorted and reminiscent of the most stable gas-phase isomer. Consequently, the adhesion energy of Pd-3 on the relaxed alpha-Al2O3(0001) surface is smaller than that of Pd-4...... adsorption on other oxide surfaces, there are no preferred adsorption sites for Pd deposited on the corundum surface....

Surface desorption and bulk diffusion models of tritium release from Li{sub 2}TiO{sub 3} and Li{sub 2}ZrO{sub 3} pebbles

Energy Technology Data Exchange (ETDEWEB)

Avila, R.E., E-mail: ravila@cchen.c [Departamento de Materiales Nucleares, Comision Chilena de Energia Nuclear, Cas. 188-D, Santiago (Chile); Pena, L.A.; Jimenez, J.C. [Departamento de Produccion y Servicios, Comision Chilena de Energia Nuclear, Cas. 188-D, Santiago (Chile)

2010-10-30

The release of tritium from Li{sub 2}TiO{sub 3} and Li{sub 2}ZrO{sub 3} pebbles, in batch experiments, is studied by means of temperature programmed desorption. Data reduction focuses on the analysis of the non-oxidized and oxidized tritium components in terms of release limited by diffusion from the bulk of ceramic grains, or by first or second order surface desorption. By analytical and numerical methods the in-furnace tritium release is deconvoluted from the ionization chamber transfer functions, for which a semi-empirical form is established. The release from Li{sub 2}TiO{sub 3} follows second order desorption kinetics, requiring a temperature for a residence time of 1 day (T{sub 1dRes}) of 620 K, and 603 K, of the non-oxidized, and the oxidized components, respectively. The release from Li{sub 2}ZrO{sub 3} appears as limited by either diffusion from the bulk of the ceramic grains, or by first order surface desorption, the first possibility being the more probable. The respective values of T{sub 1dRes} for the non-oxidized component are 661 K, according to the first order surface desorption model, and 735 K within the bulk diffusion limited model.

Effect of surface modification of BiFeO3 on the dielectric, ferroelectric, magneto-dielectric properties of polyvinylacetate/BiFeO3 nanocomposites

Directory of Open Access Journals (Sweden)

O. P. Bajpai

2014-09-01

Full Text Available Bismuth ferrite (BiFeO3 is considered as one of the most promising materials in the field of multiferroics. In this work, a simple green route as well as synthetic routes has been used for the preparation of pure phase BiFeO3. An extract of Calotropis Gigantea flower was used as a reaction medium in green route. In each case so formed BiFeO3 particles are of comparable quality. These particles are in the range of 50–60 nm and exhibit mixed morphology (viz., spherical and cubic as confirmed by TEM analysis. These pure phase BiFeO3 nanoparticles were first time surface modified effectively by mean of two silylating agent’s viz., tetraethyl orthosilicate (TEOS and (3-Aminopropyltriethoxysilane (APTES. Modified and unmodified BiFeO3 nanoparticles were efficiently introduced into polyvinylacetate (PVAc matrix. It has been shown that nanocomposite prepared by modified BiFeO3 comprise superior dispersion characteristics, improved ferroelectric properties and favorable magneto-dielectric properties along with excellent wettability in compare to nanocomposite prepared by unmodified BiFeO3. These preliminary results demonstrate possible applications of this type of nanocomposites particularly in the field of multiferroic coating and adhesives.

Electronic properties of metal-In{sub 2}O{sub 3} interfaces

Energy Technology Data Exchange (ETDEWEB)

Nazarzadehmoafi, Maryam

2017-02-22

The behavior of the electronic properties of as-cleaved melt-grown In{sub 2}O{sub 3} (111) single crystals was studied upon noble metals, In and Sn deposition using angle-resolved photoemission spectroscopy. The stoichiometry, structural quality and crystal orientation, surface morphology, and the electron concentration were examined by energy dispersive X-ray spectroscopy, Laue diffraction, scanning tunneling microscopy (STM), and Hall-effect measurement, respectively. The similarity of the measured-fundamental and surface-band gaps reveals the nearly flat behavior of the bands at the as-cleaved surface of the crystals. Ag and Au/In{sub 2}O{sub 3} interfaces show Schottky behavior, while an ohmic one was observed in Cu, In, and Sn/In{sub 2}O{sub 3} contacts. From agreement of the bulk and surface band gaps, rectifying contact formation as well as the occurrence of photovoltage effect at the pristine surface of the crystals, it can be deduced that SEAL is not an intrinsic property of the as-cleaved surface of the studied crystals. Moreover, for thick Au and Cu overlayer regime at room temperature, Shockley-like surface states were observed. Additionally, the initial stage of Cu and In growth on In{sub 2}O{sub 3} was accompanied by the formation of a two dimensional electron gas (2DEG) fading away for higher coverages which are not associated with the earlier-detected 2DEG at the surface of In{sub 2}O{sub 3} thin films. The application of the Schottky-Mott rule, using in situ-measured work functions of In{sub 2}O{sub 3} and the metals, showed a strong disagreement for all the interfaces except for Ag/In{sub 2}O{sub 3}. The experimental data also disagree with more advanced theories based on the electronegativity concept and metal-induced gap states models.

Effects of Ce3+ concentration, beam voltage and current on the cathodoluminescence intensity of SiO2: Pr3+–Ce3+ nanophosphor

CSIR Research Space (South Africa)

Mhlongo, GH

2011-02-01

Full Text Available SiO2:Pr3+–Ce3+ phosphor powders were successfully prepared using a sol–gel process. The concentration of Pr3+ was fixed at 0.2 mol% while that of Ce3+ was varied in the range of 0.2–2 mol%. High resolution transmission electron microscopy (HRTEM...

Effects of elevated O3 concentration on winter wheat and rice yields in the Yangtze River Delta, China

International Nuclear Information System (INIS)

Wang Xiaoke; Zhang Qianqian; Zheng Feixiang; Zheng Qiwei; Yao Fangfang; Chen Zhan; Zhang Weiwei; Hou Peiqiang; Feng Zhaozhong; Song Wenzhi; Feng Zongwei; Lu Fei

2012-01-01

The effects of a continuing rise of ambient ozone on crop yield will seriously threaten food security in China. In the Yangtze River Delta, a rapidly developing and seriously air polluted region in China, innovative open-top chambers have been established to fumigate winter wheat and rice in situ with elevated O 3 . Five years of study have shown that the yields of wheat and rice decreased with increasing O 3 concentration. There were significant relationships between the relative yield and AOT40 (accumulated hourly O 3 concentration over 40 ppb) for both winter wheat and rice. Winter wheat was more sensitive to O 3 than rice. O 3 -induced yield declines were attributed primarily to 1000-grain weight and harvest index for winter wheat, and attributed primarily to grain number per panicle and harvest index for rice. Control of ambient O 3 pollution and breeding of O 3 tolerant crops are urgent to guarantee food security in China. - Highlights: ► The wheat and rice response to ozone had been investigated for five years in China. ► There were significant relationships between relative crop yields and AOT40 dose. ► O 3 -induced wheat yield loss was primarily due to 1000-grain weight and harvest index. ► O 3 -induced rice yield loss was primarily due to grains per panicle and harvest index. ► Wheat and rice in this study are more sensitive to O 3 than previous investigations. - The dose–response relationships derived from field fumigation experiments over 5 years can be used to accurately estimate crop losses in China.

Protein surface labeling reactivity of N-hydroxysuccinimide esters conjugated to Fe{sub 3}O{sub 4}@SiO{sub 2} magnetic nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Pirani, Parisa; Patil, Ujwal S.; Apsunde, Tushar Dattu; Trudell, Mark L.; Cai, Yang, E-mail: ycai@chnola-research.org; Tarr, Matthew A., E-mail: mtarr@uno.edu [University of New Orleans, Department of Chemistry (United States)

2015-09-15

The N-hydroxysuccinimide (NHS) ester moiety is one of the most widely used amine reactive groups for covalent conjugation of proteins/peptides to other functional targets. In this study, a cleave-analyze approach was developed to quantify NHS ester groups conjugated to silica-coated iron oxide magnetic nanoparticles (Fe{sub 3}O{sub 4}@SiO{sub 2} MNPs). The fluorophore dansylcadaverine was attached to Fe{sub 3}O{sub 4}@SiO{sub 2} magnetic nanoparticles (MNPs) via reaction with NHS ester groups, and then released from the MNPs by cleavage of the disulfide bond in the linker between the fluorophore and the MNPs moiety. The fluorophore released from Fe{sub 3}O{sub 4}@SiO{sub 2} MNPs was fluorometrically measured, and the amount of fluorophore should be equivalent to the quantity of the NHS ester groups on the surface of Fe{sub 3}O{sub 4}@SiO{sub 2} MNPs that participated in the fluorophore conjugation reaction. Another sensitive and semiquantitative fluorescence microscopic test was also developed to confirm the presence of NHS ester groups on the surface of Fe{sub 3}O{sub 4}@SiO{sub 2} MNPs. Surface-conjugated NHS ester group measurements were primarily performed on Fe{sub 3}O{sub 4}@SiO{sub 2} MNPs of 100–150 nm in diameter and also on 20-nm nanoparticles of the same type but prepared by a different method. The efficiency of labeling native proteins by NHS ester-coated Fe{sub 3}O{sub 4}@SiO{sub 2} MNPs was explored in terms of maximizing the number of MNPs conjugated per BSA molecule or maximizing the number of BSA molecules conjugated per each nanoparticle. Maintaining the amount of fresh NHS ester moieties in the labeling reaction system was essential especially when maximizing the number of MNPs conjugated per protein molecule. The methodology demonstrated in this study can serve as a guide in labeling the exposed portions of proteins by bulky multivalent labeling reagents.

THE APPLICATION OF STEREOLOGY METHOD FOR ESTIMATING THE NUMBER OF 3D BaTiO3 – CERAMIC GRAINS CONTACT SURFACES

Directory of Open Access Journals (Sweden)

Vojislav V Mitić

2011-05-01

Full Text Available Methods of stereological study are of great importance for structural research of electronic ceramic materials including BaTiO3-ceramic materials. The broad application of ceramics, based on barium-titanate, in advanced electronics nowadays demands a constant research of its structure, that through the correlation structureproperties, a fundamental in the basic materials properties prognosis triad (technology-structure-properties, leads to further prognosis and properties design of these ceramics. Microstructure properties of BaTiO3- ceramic material, expressed in grains' boundary contact, are of basic importance for electric properties of this material, particularly the capacity. In this paper, a significant step towards establishing control under capacitive properties of BaTiO3-ceramics is being done by estimating the number of grains contact surfaces. Defining an efficient stereology method for estimating the number of BaTiO3-ceramic grains contact surfaces, we have started from a mathematical model of mutual grains distribution in the prescribed volume of BaTiO3-ceramic sample. Since the real microstructure morphology of BaTiO3-ceramics is in some way disordered, spherical shaped grains, using computer-modelling methods, are approximated by polyhedra with a great number of small convex polygons. By dividing the volume of BaTiO3-ceramic sample with the definite number of parallel planes, according to a given pace, into the intersection plane a certain number of grains contact surfaces are identified. According to quantitative estimation of 2D stereological parameters the modelled 3D internal microstructure is obtained. Experiments were made by using the scanning electronic microscopy (SEM method with the ceramic samples prepared under pressing pressures up to 150 MPa and sintering temperature up to 1370°C while the obtained microphotographs were used as a base of confirming the validity of presented stereology method. This paper, by applying

Effect of precursor concentration and film thickness deposited by layer on nanostructured TiO2 thin films

Science.gov (United States)

Affendi, I. H. H.; Sarah, M. S. P.; Alrokayan, Salman A. H.; Khan, Haseeb A.; Rusop, M.

2018-05-01

Sol-gel spin coating method is used in the production of nanostructured TiO2 thin film. The surface topology and morphology was observed using the Atomic Force Microscopy (AFM) and Field Emission Scanning Electron Microscopy (FESEM). The electrical properties were investigated by using two probe current-voltage (I-V) measurements to study the electrical resistivity behavior, hence the conductivity of the thin film. The solution concentration will be varied from 14.0 to 0.01wt% with 0.02wt% interval where the last concentration of 0.02 to 0.01wt% have 0.01wt% interval to find which concentrations have the highest conductivity then the optimized concentration's sample were chosen for the thickness parameter based on layer by layer deposition from 1 to 6 layer. Based on the result, the lowest concentration of TiO2, the surface becomes more uniform and the conductivity will increase. As the result, sample of 0.01wt% concentration have conductivity value of 1.77E-10 S/m and will be advanced in thickness parameter. Whereas in thickness parameter, the 3layer deposition were chosen as its conductivity is the highest at 3.9098E9 S/m.

Study on adsorption of O2 on LaFe1−xMgxO3 (0 1 0) surface by density function theory calculation

International Nuclear Information System (INIS)

Liu, Xing; Cheng, Bin; Hu, Jifan; Qin, Hongwei

2012-01-01

Highlights: ► Mg-doping can change the electronic properties of LaFeO 3 (0 1 0) surface by decreasing the band gap. ► The position and content of Mg-doping can both affect the ability to adsorb O 2 . ► The strong hybridization between O 2 p and Fe d orbital is the origin of binding mechanism. - Abstract: The adsorption of O 2 on the clean and Mg doped LaFeO 3 (0 1 0) surface has been investigated using the density functional theory (DFT) method. Calculation results show that Mg-doping can change the electronic properties of LaFeO 3 (0 1 0) surface by decreasing the band gap. When Mg ions were not on the first layer of the surface, with increasing Mg content the adsorption of O 2 was enhanced. When Mg ions were on the first layer, the adsorption of O 2 was weakened with the increase of Mg content. The analysis results of the DOS indicated that the Mg ion and adsorbed O 2 had no strong hybridization, and the bonding mechanism was originated from the strong hybridization between the O p and Fe d orbital. Referring to all the calculation results, it was found that except for the increase of stability of oxygen adsorption, the Mg doping could not improve the sensitivity to O 2 .

Effect of Zn(NO3)2 concentration in hydrothermal-electrochemical deposition on morphology and photoelectrochemical properties of ZnO nanorods

Science.gov (United States)

Yilmaz, Ceren; Unal, Ugur

2016-04-01

Zn(NO3)2 concentration had been reported to be significantly influential on electrodeposition of ZnO structures. In this work, this issue is revisited using hydrothermal-electrochemical deposition (HED). Seedless, cathodic electrochemical deposition of ZnO films is carried out on ITO electrode at 130 °C in a closed glass reactor with varying Zn(NO3)2 concentration. Regardless of the concentration of Zn2+ precursor (0.001-0.1 M) in the deposition solution, vertically aligned 1-D ZnO nanorods are obtained as opposed to electrodepositions at lower temperatures (70-80 °C). We also report the effects of high bath temperature and pressure on the photoelectrochemical properties of the ZnO films. Manipulation of precursor concentration in the deposition solution allows adjustment of the aspect ratio of the nanorods and the degree of texturation along the c-axis; hence photoinduced current density. HED is shown to provide a single step synthesis route to prepare ZnO rods with desired aspect ratio specific for the desired application just by controlling the precursor concentration.

Photoluminescence investigation of ZnO quantum dots surface modified with silane coupling agent as a capping agent

Energy Technology Data Exchange (ETDEWEB)

Moghaddam, E., E-mail: e.moghaddam@merc.ac.ir; Youzbashi, A.A; Kazemzadeh, A.; Eshraghi, M.J.

2015-12-15

This report presents the luminescence measurement results of surface modified zinc oxide quantum dots (ZnO QDs) performed with different concentrations of 3-aminopropyltriethoxysilane (APTES) as a capping agent. Surface modification was performed by an in situ procedure on the surface of ZnO QDs in a sol gel solution route. The modified samples were characterized by various analytical techniques such as XRD, TEM, FT-IR, and UV–vis spectroscopy. Surface modification efficiency was experimentally investigated by variation of the photoluminescence) PL (emission intensities observed by changing the capping agent concentration. In order to investigate the effectiveness of the capping agent on the stability of the QDs, The PL spectra of the surface modified ZnO QDs were compared with that of unmodified ZnO QDs. Molecular layer of this type and similar silane based molecules with a variety of surface terminations that have the same molecular attachment schemes should enable interface engineering in optimizing the chemical selectivity of ZnO biosensors or electrical and optical properties of ZnO-polymer hybrid films. - Highlights: • Surface modification of ZnO QDs resulted in the small- size QDs (around 2 nm). • Surface modification resulted in the enhancement of the UV emission upon quenching the visible emission. • Surface modification efficiency was decreased with reduction of the QD size • Intensified stability of the surface modified ZnO QDs was obtained from surface modification.

Surface characterization of poly(methylmethacrylate) based nanocomposite thin films containing Al{sub 2}O{sub 3} and TiO{sub 2} nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Lewis, S., E-mail: Scott.Lewis@Manchester.ac.u [School of Physics and Astronomy, Radio Astronomy Technology Group, University of Manchester, Turing Building, Oxford Rd, Manchester, M13 9PL (United Kingdom); Haynes, V. [School of Physics and Astronomy, Radio Astronomy Technology Group, University of Manchester, Turing Building, Oxford Rd, Manchester, M13 9PL (United Kingdom); Wheeler-Jones, R. [Institute of Advanced Materials and Energy Systems, Cardiff School of Engineering, Queen' s Buildings, The Parade, Cardiff CF24 3AA (United Kingdom); Sly, J. [School of Electrical and Electronic Engineering, Microelectronics and Nanostructures group, The University of Manchester, Sackville St Building, Sackville St, Manchester, M60 1QD (United Kingdom); Perks, R.M. [Institute of Advanced Materials and Energy Systems, Cardiff School of Engineering, Queen' s Buildings, The Parade, Cardiff CF24 3AA (United Kingdom); Piccirillo, L. [School of Physics and Astronomy, Radio Astronomy Technology Group, University of Manchester, Turing Building, Oxford Rd, Manchester, M13 9PL (United Kingdom)

2010-03-01

Poly(methylmethacrylate) (PMMA) based nanocomposite electron beam resists have been demonstrated by spin coating techniques. When TiO{sub 2} and Al{sub 2}O{sub 3} nanoparticles were directly dispersed into the PMMA polymer matrix, the resulting nanocomposites produced poor quality films with surface roughnesses of 322 and 402 nm respectively. To improve the surface of the resists, the oxide nanoparticles were encapsulated in toluene and methanol. Using the zeta potential parameter, it was found that the stabilities of the toluene/oxide nanoparticle suspensions were 7.7 mV and 19.4 mV respectively, meaning that the suspension was not stable. However, when the TiO{sub 2} and Al{sub 2}O{sub 3} nanoparticles were encapsulated in methanol the zeta potential parameter was 31.9 mV and 39.2 mV respectively. Therefore, the nanoparticle suspension was stable. This method improved the surface roughness of PMMA based nanocomposite thin films by a factor of 6.6 and 6.4, when TiO{sub 2} and Al{sub 2}O{sub 3} were suspended in methanol before being dispersed into the PMMA polymer.

Study of phase equilibria and glass formation in the CaO-WO3-P2O5 system

International Nuclear Information System (INIS)

Bielis, I.Ya.

1980-01-01

The method of quenching has been used to investigate the liquidus surface of a portion of the CaO-WO 3 -P 2 O 5 system limited by the Ca(PO 3 ) 2 -W 2 O 3 (PO 4 ) 2 and CaWO 4 -Ca 2 P 2 O 7 cross-sections. The primary crystallization fields on the compounds: WO 3 , W 2 O 3 (PO 4 ) 2 , CaWO 4 , Ca 2 P 7 O 7 , Ca(PO 3 ) 2 are separated. The liquidus surface isotherms at 900, 1000, 1100 and 1200 deg C have been plotted on the concentration triangle plane. It has been found that the cross-sections of W 2 O 3 (PO 4 ) 2 -Ca(PO 3 ) 2 , WO 3 -Ca(PO 3 ) 2 , WO 3 -Ca 2 P 2 O 7 and CaWO 4 -Ca 2 P 2 O 7 are eutectic-type quasi-binary systems. The position of the glass transition region in the CaO-WO 3 -P 2 O 5 system has been determined for the treatment temperatures of 1100, 1200 and 1300 deg C and a correlation between the configuration of the glass transition region and the phase diagram of the system has been demonstrated [ru

Hydrogenation of furfural at the dynamic Cu surface of CuOCeO2/Al2O3 in vapor phase packed bed reactor

Science.gov (United States)

The hydrogenation of furfural to furfuryl alcohol over a CuOCeO2/'-Al2O3 catalyst in a flow reactor is reported. The catalyst was prepared by the wet impregnation of Cu onto a CeO2/'-Al2O3 precursor. The calcined catalyst was then treated with HNO3 to remove surface CuO resulting in a mixed CuCe oxi...

Clarification of the mechanism of sulfur trioxide electrolysis. Evaluation of SO3 and O atom adsorbed on Pt surface

International Nuclear Information System (INIS)

Suzuki, Chikashi; Nakagiri, Toshio

2008-01-01

We developed a hybrid thermo-chemical process, which included a SO 3 electrolysis process utilizing the heat supplied by a fast breeder reactor (FBR), as a new hydrogen production process. To clarify the mechanism of SO 3 electrolysis, we evaluated the electronic states of SO 3 and O atom adsorbed on the Pt (111) surface using first-principles calculations with a slab model. Moreover, we evaluated the chemical bonding states of SO 3 and adsorbed O using molecular orbital calculation on the basis of the calculations using a slab model. We found that there were two stable adsorbed SO 3 configurations on the Pt surface. From the molecular orbital calculation, it was found that the S-O bond became weak by SO 3 absorption, and it was conjectured that SO 3 dissociation proceeded through the intermediate state of adsorbed SO 2 and adsorbed O on the Pt surface. Moreover, we derived the O coverage considering the adsorbed SO 2 and evaluated the influence of SO 3 adsorption energy on the O coverage. (author)

Glass-ceramic nuclear waste forms obtained by crystallization of SiO 2-Al 2O 3-CaO-ZrO 2-TiO 2 glasses containing lanthanides (Ce, Nd, Eu, Gd, Yb) and actinides (Th): Study of the crystallization from the surface

Science.gov (United States)

Loiseau, P.; Caurant, D.

2010-07-01

Glass-ceramic materials containing zirconolite (nominally CaZrTi 2O 7) crystals in their bulk can be envisaged as potential waste forms for minor actinides (Np, Am, Cm) and Pu immobilization. In this study such matrices are synthesized by crystallization of SiO 2-Al 2O 3-CaO-ZrO 2-TiO 2 glasses containing lanthanides (Ce, Nd, Eu, Gd, Yb) and actinides (Th) as surrogates. A thin partially crystallized layer containing titanite and anorthite (nominally CaTiSiO 5 and CaAl 2Si 2O 8, respectively) growing from glass surface is also observed. The effect of the nature and concentration of surrogates on the structure, the microstructure and the composition of the crystals formed in the surface layer is presented in this paper. Titanite is the only crystalline phase able to significantly incorporate trivalent lanthanides whereas ThO 2 precipitates in the layer. The crystal growth thermal treatment duration (2-300 h) at high temperature (1050-1200 °C) is shown to strongly affect glass-ceramics microstructure. For the system studied in this paper, it appears that zirconolite is not thermodynamically stable in comparison with titanite growing form glass surface. Nevertheless, for kinetic reasons, such transformation (i.e. zirconolite disappearance to the benefit of titanite) is not expected to occur during interim storage and disposal of the glass-ceramic waste forms because their temperature will never exceed a few hundred degrees.

High Energy Ion Beam Studies of Ion Exchange in a Na2O-Al2O3-SiO2 Glass

International Nuclear Information System (INIS)

Shutthanadan, Vaithiyalingam; Baer, Donald R.; Thevuthasan, Suntharampillai; Adams, Evan M.; Maheswaran, Saravanamuthu; Engelhard, Mark H.; Icenhower, Jonathan P.; McGrail, Bernard P.

2002-01-01

As part of understanding the processes leading to sodium release and ion exchange, the surface and near surface reaction regions on several specimens of a Na2O-Al2O3-SiO2 glass have been examined after exposures to isotopically labeled aqueous solutions. The majority of the analyses describe here have been carried out using energetic ion beam analysis. Rutherford backscattering spectrometry (RBS) has been used to measure the overall glass composition and to determine the profiles and amounts of Na released from the surface. An important part of the ion exchange process is the uptake and incorporation of hydrogen and oxygen in the glass from the solution. To facilitate this analysis, the glasses were exposed to a solution containing 18O and deuterium and analyzed by accelerator based nuclear reaction analysis (NRA). To confirm some of the RBS depth profile data very near the surface, XPS depth profiles were collected on some samples. Although the Na concentration is decreased in the near surface region, it is not totally removed from the outer surface. In this same region, there is also a significant amount of 18O incorporated demonstrating considerable interaction between the water and the glass. Deeper into the material the amounts of deuterium and 18O are more consistent with water or H3O+ diffusion. These results suggest that there exist an outer reaction layer and an inner diffusion controlled layer in the surface region of the reacted glass

Properties of TiO2 prepared by acid treatment of BaTiO3

International Nuclear Information System (INIS)

Okada, Kiyoshi; Yanagisawa, Tomoki; Kameshima, Yoshikazu; Nakajima, Akira

2007-01-01

TiO 3 powders were prepared by acid treatment of BaTiO 3 and their properties were investigated. The BaTiO 3 powder was subjected to HNO 3 in concentrations ranging from 10 -3 to 8 M at 90 deg. C for 0.5-6 h. Dissolution of BaTiO 3 and precipitation of TiO 2 occurred at acid concentrations of 2-5 M. BaTiO 3 dissolves completely to form a clear solution at reaction times of 0.5-1 h, but a rutile precipitate is formed after 2 h of acid treatment. By contrast, anatase is precipitated by adjusting the pH of the clear solution to 2-3 using NaOH or NH 4 OH solution. The rutile crystals were small and rod-shaped, consisting of many small coherent domains connected by grain boundaries with small inclination angles and edge dislocations, giving them a high specific surface area (S BET ). With increasing HNO 3 concentration, the S BET value increased from 100 to 170 m 2 /g while the crystallite size decreased from 25 to 11 nm. The anatase crystals obtained here were very small equi-axial particles with a smaller crystallite size than the rutile and S BET values of about 270 m 2 /g (higher than the rutile samples). The photocatalytic activity of these TiO 2 was determined from the decomposition rate of Methylene Blue under ultraviolet irradiation. Higher decomposition rates were obtained with larger crystallite sizes resulting from heat treatment. The maximum decomposition rates were obtained in samples heated at 500-600 deg. C. The photocatalytic activity of the TiO 2 was found to depend more strongly on the sample crystallite size than on S BET

Ab initio simulation of structure and surface energy of low-index surfaces of stoichiometric α-Fe2O3

Science.gov (United States)

Stirner, Thomas; Scholz, David; Sun, Jizhong

2018-05-01

The structure and surface energy of a series of low-index surfaces of stoichiometric α-Fe2O3 (hematite) are investigated using the periodic Hartree-Fock approach with an a posteriori correction of the correlation energy. The simulations show that, amongst the modeled facets, (01 1 bar2) and (0001) are the most stable surfaces of hematite, which is consistent with the fact that the latter are the dominant growth faces exposed on natural α-Fe2O3. The Fe-terminated (0001) surface is shown to exhibit a large relaxation of the surface atoms. It is argued that this arises mainly due to the fact that the surface cations are located opposite empty cation sites in the filled-filled-unfilled cation sequence along the c-axis. In contrast, the (01 1 bar2) plane cuts the crystal through a plane of empty cation sites, thus giving rise to relatively small relaxations and surface energies. The small relaxations and concomitant exposure of five-coordinate cation sites may be important for the catalytic activity of hematite. The simulations also show that the relative stability of the investigated surfaces changes after a full lattice relaxation with the (0001) and (11 2 bar6) facets relaxing disproportionately large. Wherever possible, the simulations are compared with previous simulation data and experimental results. A Wulff-Gibbs construction is also presented.

Electrical, thermophysical and micromechanical properties of ethylene-vinyl acetate elastomer composites with surface modified BaTiO{sub 3} nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Huang Xingyi; Xie Liyuan; Jiang Pingkai; Wang Genlin; Liu Fei, E-mail: xyhuang@sjtu.edu.c, E-mail: pkjiang@sjtu.edu.c [Shanghai Key Lab of Electrical Insulation and Thermal Aging, Department of Polymer Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240 (China)

2009-12-21

In this study, we investigated the influence of the surface modified BaTiO{sub 3} nanoparticles on the electrical, thermophysical and micromechanical properties of ethylene-vinyl acetate (EVM) vulcanizates. Gamma-aminopropyl triethoxysilane was used as a silane coupling agent for the surface treatment of the BaTiO{sub 3} nanoparticles. It was found that the incorporation of surface modified BaTiO{sub 3} nanoparticles into the EVM matrix not only increased the permittivity, thermal conductivity and the mechanical strength but also showed a comparative dielectric loss tangent with pure EVM vulcanizates. In particular, the nanocomposites exhibit relatively high dielectric strength and good ductility even at the loading level of 50 vol%. The improved properties not only originate from the homogeneous dispersion of BaTiO{sub 3} nanoparticles but also should be ascribed to the strong interfacial interaction between the surface modified BaTiO{sub 3} nanoparticles and EVM matrix. We also investigated the dielectric relaxation behaviour of the BaTiO{sub 3} filled EVM nanocomposites by using Jonscher's theory of universal dielectric response.

Improvement in surface hydrophilicity and resistance to deformation of natural leather through O_2/H_2O low-temperature plasma treatment

International Nuclear Information System (INIS)

You, Xuewei; Gou, Li; Tong, Xingye

2016-01-01

Graphical abstract: - Highlights: • O_2/H_2O can increase oxygen concentration in the plasma compared to the pure O_2 atmosphere. • Pores at the surface of natural leather became larger and deeper with enhanced permeability of water. • The initial water contact angle was about 21°. • Its preferable surface hydrophilicity kept for 3 days, which gives guidance for next process. • The elongation of the treated sample for 10 min was twice as large as that of the untreated sample. - Abstract: The natural leather was modified through O_2/H_2O low-temperature plasma treatment. Surface morphology was characterized by scanning electron microscopy (SEM) and the results showed that the pores on the leather surface became deeper and larger with enhanced permeability of water and vapor. XPS and FTIR-ATR was performed to determine the chemical composition of natural leather surface. Oxygen-containing groups were successfully grafted onto the surface of natural leather and oxygen content increased with longer treatment time. After O_2/H_2O plasma treatment, initial water contact angle was about 21° and water contact angles were not beyond 55° after being stored for 3 days. Furthermore, the tensile test indicated that the resistance to deformation had a prominent transform without sacrificing the tensile strength.

Porous Na2O-B2O3-Nd2O3 material

Energy Technology Data Exchange (ETDEWEB)

De Villiers, D R; Res, M A; Richter, P W

1986-12-01

Substitution of SiO2 by Nd2O3 in the sodium borosilicate system produced glasses containing up to 50 mass% Nd2O3. Sodium borate was leached out of some of the materials to produce either a porous Nd2O3-rich glass or a porous glass-ceramic containing NdBO3, depending on the starting material. Surface areas of up to 190 mS g- were measured. Powder X-ray diffraction (XRD) revealed the NdBO3 to be the high-temperature form with low symmetry.

Photocatalytic application of TiO2/SiO2-based magnetic nanocomposite (Fe3O4@SiO2/TiO2 for reusing of textile wastewater

Directory of Open Access Journals (Sweden)

Laleh Enayati Ahangar

2016-01-01

Full Text Available In this research we have developed a treatment method for textile wastewater by TiO2/SiO2-based magnetic nanocomposite. Textile wastewater includes a large variety of dyes and chemicals and needs treatments. This manuscript presents a facile method for removing dyes from the textile wastewater by using TiO2/SiO2-based nanocomposite (Fe3O4@SiO2/TiO2 under UV irradiation. This magnetic nanocomposite, as photocatalytically active composite, is synthesized via solution method in mild conditions. A large range of cationic, anionic and neutral dyes including: methyl orange, methylene blue, neutral red, bromocresol green and methyl red are used for treatment investigations. Neutral red and bromocresol green have good results in reusing treatment. The high surface area of nanocomposites improve the kinetic of wastewater treatment. In this method, by using the magnetic properties of Fe3O4 nanoparticles, TiO2-based photocatalyst could be separated and reused for 3 times. The efficiency of this method is respectively 100% and 65% for low concentration (10 ppm and high concentration (50 ppm of neutral red and bromocrosol green after 3 h treatment. The efficiency of treatment using the second used nanocomposite was 90% for 10 ppm of the same dyes.

Relation of lifetime to surface passivation for atomic-layer-deposited Al2O3 on crystalline silicon solar cell

International Nuclear Information System (INIS)

Cho, Young Joon; Song, Hee Eun; Chang, Hyo Sik

2015-01-01

Highlights: • We investigated the relation of potassium contamination on Si solar wafer to lifetime. • We deposited Al 2 O 3 layer by atomic layer deposition (ALD) on Si solar wafer after several cleaning process. • Potassium can be left on Si surface by incomplete cleaning process and degrade the Al 2 O 3 passivation quality. - Abstract: We investigated the relation of potassium contamination on a crystalline silicon (c-Si) surface after potassium hydroxide (KOH) etching to the lifetime of the c-Si solar cell. Alkaline solution was employed for saw damage removal (SDR), texturing, and planarization of a textured c-Si solar wafer prior to atomic layer deposition (ALD) Al 2 O 3 growth. In the solar-cell manufacturing process, ALD Al 2 O 3 passivation is utilized to obtain higher conversion efficiency. ALD Al 2 O 3 shows excellent surface passivation, though minority carrier lifetime varies with cleaning conditions. In the present study, we investigated the relation of potassium contamination to lifetime in solar-cell processing. The results showed that the potassium-contaminated samples, due to incomplete cleaning of KOH, had a short lifetime, thus establishing that residual potassium can degrade Al 2 O 3 surface passivation

Equilibrium Crystal Shape of BaZrO{sub 3} and Space Charge Formation in the (011) Surface by Using Ab-Initio Thermodynamics

Energy Technology Data Exchange (ETDEWEB)

Kim, Ji-Su; Kim, Yeong-Cheol [Korea University of Technology and Education, Cheonan (Korea, Republic of)

2017-01-15

We investigated the equilibrium crystal shape of BaZrO{sub 3} and the space charge formation in an O-terminated (011) surface by using ab-initio thermodynamics. Twenty-two low-indexed (001), (011), and (111) surfaces were calculated to analyze their surface Gibbs-free energy under the stable condition of BaZrO{sub 3}. Based on the Gibbs-Wulff theorem, the equilibrium crystal shape of BaZrO{sub 3} changed from cubic to decaoctahedral with decreasing Ba chemical potential. The dominant facets of BaZrO{sub 3} were {001} and {011}, which were well consistent with experimental observations. The space charge formation in the (011) surface was evaluated using the space-charge model. We found that the (011) surface was even more resistive than the (001) surface.

Al2O3-Cact-(CuO, Cr2O3, Co3O4 Adsorbents-Catalysts: Preparation and Characterization

Directory of Open Access Journals (Sweden)

Gitana DABRILAITĖ-KUDŽMIENĖ

2013-03-01

Full Text Available Al2O3-Cact-(CuO, Cr2O3 Co3O4 adsorbents-catalysts were prepared using Al2O3-Cact (alumina gel–activated carbon adsorbent and different amount of CuO, Cr2O3 and Co3O4. The active components were incorporated into wet alumina gel–carbon mixture using different conditions (by sol-gel method and mixing a milled metal oxides. Equilibrium adsorptive capacity measurements of alcohol vapours were carried out in order to determine the influence of preparation conditions on the stability of prepared adsorbents–catalysts. Specific surface area of the prepared adsorbents-catalysts were measured by BET method. It was established that for adsorbent-catalyst produced by sol-gel method SBET = 244.7 m2/g. Surface area SBET = 29.32 m2/g was obtained for adsorbent-catalyst with metal oxides. On the basis of these results it was assumed that active carbon was lost in this adsorbent-catalyst during the preparation process. Sol-gel derived adsorbent–catalyst was tested for the oxidation of methanol vapours. Catalytic oxidation was carried out in fixed-bed reactor. Experimental data indicate that adsorptive capacity of the adsorbent–catalyst is (3.232 – 3.259 mg/m3 CH3OH at relative air humidity is 40 % – 50 %. During a fast heating of CH3OH – saturated adsorbent-catalyst a part of adsorbate is converted to CO2 and H2O. Methanol conversion increases with increasing of adsorbent-catalyst heating rate.DOI: http://dx.doi.org/10.5755/j01.ms.19.1.3832

Effect of structure, particle size and relative concentration of Eu3+ and Tb3+ ions on the luminescence properties of Eu3+ co-doped Y2O3:Tb nanoparticles

International Nuclear Information System (INIS)

Mukherjee, S; Sudarsan, V; Vatsa, R K; Tyagi, A K; Godbole, S V; Kadam, R M; Bhatta, U M

2008-01-01

Eu 3+ co-doped Y 2 O 3 :Tb nanoparticles were prepared by the combustion method and characterized for their structural and luminescence properties as a function of annealing temperatures and relative concentration of Eu 3+ and Tb 3+ ions. For Y 2 O 3 :Eu,Tb nanoparticles annealed at 600 and 1200 deg. C, variation in the relative intensity of excitation transitions between the 7 F 6 ground state and low spin and high spin 4f 7 5d 1 excited states of Tb 3+ is explained due to the combined effect of distortion around Y 3+ /Tb 3+ in YO 6 /TbO 6 polyhedra and the size of the nanoparticles. Increase in relative intensity of the 285 nm peak (spin-allowed transition denoted as peak B) with respect to the 310 nm peak (spin-forbidden transition denoted as peak A) with decrease of Tb 3+ concentration in the Y 2 O 3 :Eu,Tb nanoparticles heated at 1200 deg. C is explained based on two competing effects, namely energy transfer from Tb 3+ to Eu 3+ ions and quenching among the Tb 3+ ions. Back energy transfer from Tb 3+ to Eu 3+ in these nanoparticles is found to be very poor

Chemistry of CCl 4 on Fe 3O 4(1 1 1)-(2 × 2) surfaces in the presence of adsorbed D 2O studied by temperature programmed desorption

Science.gov (United States)

Adib, K.; Totir, G. G.; Fitts, J. P.; Rim, K. T.; Mueller, T.; Flynn, G. W.; Joyce, S. A.; Osgood, R. M.

2003-07-01

Temperature programmed desorption (TPD) was used to study surface reactions of Fe 3O 4(1 1 1)-(2 × 2) sequentially exposed, at ˜100 K, to vapor-phase D 2O and CCl 4. Previous TPD and XPS results have indicated that in the absence of D 2O, CCl 4 dissociatively adsorbs on Fe 3O 4(1 1 1) producing chemisorbed Cl and CCl 2. Subsequent heating of the surface results in abstraction of lattice iron and oxygen atoms and causes them to desorb as FeCl 2 and OCCl 2, respectively. This study shows that when this Fe 3O 4 surface is exposed only to D 2O, TPD measures a rich surface chemistry with multiple desorption events extending as high as ˜800 K, indicating dissociative adsorption of D 2O on the Fe 3O 4(1 1 1) surface. After sequential exposure to D 2O and then CCl 4, the production of FeCl 2 and OCCl 2 from adsorbed CCl 4 is suppressed, indicating that D 2O fragments block the surface reactive sites.

Adsorption of Cu and Pd on alpha-Al2O3(0001) surfaces with different stoichiometries

DEFF Research Database (Denmark)

Lodziana, Zbigniew; Nørskov, Jens Kehlet

2001-01-01

We report density functional theory calculations of the interaction of Cu and Pd with the (0001) surface of alpha -Al2O3. The interaction of those metals with the oxide surface varies from covalent-like for the aluminum rich surface to ionic-like for the oxygen terminated surface. Stoichiometric ...

Directed laser processing of compacted powder mixtures Al2O3-TiO2-Y2O3

Directory of Open Access Journals (Sweden)

Vlasova M.

2013-01-01

Full Text Available The phase formation, microstructure and surface texture of laser treated ternary powder mixtures of Al2O3-TiO2-Y2O3 had been studied. Rapid high temperature heating and subsequent rapid cooling due to the directed movement of the laser beam forms concave ceramic tracks. Phase composition and microstructure of the tracks depends on the Al2O3 content and the TiO2/Y2O3 ratio of the initial mixtures. The main phases observed are Y3Al5O12, Y2Ti2O7, Al2O3 and Al2TiO5. Due to the temperature gradient in the heating zone, complex layered structures are formed. The tracks consist of three main layers: a thin surface layer, a layer of crystallization products of eutectic alloys, and a lower sintered layer. The thickness of the crystallization layer and the shrinkage of the irradiation zone depend on the amount of Y3Al5O12 and Al2O3 crystallized from the melt.

Li vaporization property of two-phase material of Li{sub 2}TiO{sub 3} and Li{sub 2}SiO{sub 3} for tritium breeder

Energy Technology Data Exchange (ETDEWEB)

Ogawa, Seiya [Course of Mechanical Engineering, Graduate School of Engineering, Tokai University, 4-1-1 Kitakaname, Hiratsuka, Kanagawa 259-1292 (Japan); Masuko, Yuki; Kato, Hirokazu; Yuyama, Hayato; Sakai, Yutaro [Department of Prime Mover Engineering, School of Engineering, Tokai University, 4-1-1 Kitakaname, Hiratsuka, Kanagawa 259-1292 (Japan); Niwa, Eiki; Hashimoto, Takuya [Department of Physics, College of Humanities and Sciences, Nihon University, 3-8-1 Sakurajousui, Setagaya-ku, Tokyo 156-8550 (Japan); Mukai, Keisuke [Department of Nuclear Engineering and Management, School of Engineering, The University of Tokyo, 7-3-1 Bunkyo-ku, Tokyo 113-8656 (Japan); Hosino, Tsuyoshi [Breeding Functional Materials Development Group, Department of Blanket Systems Research, Rokkasho Fusion Institute, Sector of Fusion Research and Development, Japan Atomic Energy Agency, 2-166 Obuch, Omotedate, Rokkasho-mura, Kamikita-gun, Aomori 039-3212 (Japan); Sasaki, Kazuya, E-mail: k_sasaki@tokai-u.jp [Course of Mechanical Engineering, Graduate School of Engineering, Tokai University, 4-1-1 Kitakaname, Hiratsuka, Kanagawa 259-1292 (Japan); Department of Prime Mover Engineering, School of Engineering, Tokai University, 4-1-1 Kitakaname, Hiratsuka, Kanagawa 259-1292 (Japan); Course of Mechanical Engineering and Aeronautics and Astronautics, Graduate School of Science and Technology, Tokai University, 4-1-1 Kitakaname, Hiratsuka, Kanagawa 259-1292 (Japan)

2015-10-15

Highlights: • We synthesized two phase materials based on Li{sub 2}SiO{sub 3} and Li{sub 2}TiO{sub 3}. • We investigated the Li vaporization property of the two-phase materials. • Li vaporization occurs significantly from only Li{sub 2}SiO{sub 3} grains in the vicinity of the surface of the pellets. • The Li vaporization is remarkable only for an early short time for the vaporization from Li{sub 2}SiO{sub 3} grains at the vicinity of the surface. • The second stable phase added functions effectively for inhibition of the Li vaporization. - Abstract: Li vaporization property of two-phase materials of Li{sub 2}TiO{sub 3} and Li{sub 2}SiO{sub 3} in a working condition for the solid tritium breeder used in the demonstration power plant of fusion reactor was investigated, and the suppression mechanism of the vaporization was considered. The Li vaporization rate from the specimen pellet was measured by gravimetric method, and the change of Li concentration distribution in the pellet was analyzed by time-of-flight secondary ion mass spectrometer. Li was vaporized only from the Li{sub 2}SiO{sub 3} at the vicinity of the surface of the pellet. The remarkable vaporization of Li arose only in an early short time. The inhibition of the vaporization from the Li{sub 2}SiO{sub 3} was successful by adding the small amount of the stable secondary phase of Li{sub 2}TiO{sub 3}.

Effect of Zn(NO{sub 3}){sub 2} concentration in hydrothermal–electrochemical deposition on morphology and photoelectrochemical properties of ZnO nanorods

Energy Technology Data Exchange (ETDEWEB)

Yilmaz, Ceren, E-mail: ceryilmaz@ku.edu.tr [Koc University, Department of Chemistry, Rumelifeneri yolu, Sariyer 34450, Istanbul (Turkey); Unal, Ugur [Koc University, Department of Chemistry, Rumelifeneri yolu, Sariyer 34450, Istanbul (Turkey); Graduate School of Science and Engineering, Koc University, Rumelifeneri yolu, Sariyer 34450, Istanbul (Turkey); Koc University Surface Science and Technology Center (KUYTAM), Rumelifeneri yolu, Sariyer 34450, Istanbul (Turkey)

2016-04-15

Graphical abstract: - Highlights: • Combined hydrothermal–electrochemical deposition was used to grow ZnO films. • 1-D ZnO NRs are obtained even at high Zn(NO{sub 3}){sub 2} concentrations (1 mM < [Zn{sup 2+}] < 0.1 M). • Aspect ratio and alignment of ZnO NRs can be controlled by initial [Zn(NO{sub 3}){sub 2}]. • [Zn{sup 2+}] dependent structural and photoelectrochemical properties have been studied. • Photocurrent density exhibited by ZnO NRs increases with increasing aspect ratio. - Abstract: Zn(NO{sub 3}){sub 2} concentration had been reported to be significantly influential on electrodeposition of ZnO structures. In this work, this issue is revisited using hydrothermal–electrochemical deposition (HED). Seedless, cathodic electrochemical deposition of ZnO films is carried out on ITO electrode at 130 °C in a closed glass reactor with varying Zn(NO{sub 3}){sub 2} concentration. Regardless of the concentration of Zn{sup 2+} precursor (0.001–0.1 M) in the deposition solution, vertically aligned 1-D ZnO nanorods are obtained as opposed to electrodepositions at lower temperatures (70–80 °C). We also report the effects of high bath temperature and pressure on the photoelectrochemical properties of the ZnO films. Manipulation of precursor concentration in the deposition solution allows adjustment of the aspect ratio of the nanorods and the degree of texturation along the c-axis; hence photoinduced current density. HED is shown to provide a single step synthesis route to prepare ZnO rods with desired aspect ratio specific for the desired application just by controlling the precursor concentration.

High coverage hydrogen adsorption on the Fe{sub 3}O{sub 4}(1 1 0) surface

Energy Technology Data Exchange (ETDEWEB)

Yu, Xiaohu, E-mail: yuxiaohu950203@126.com [College of Physics and Electrical Engineering, Anyang Normal University, Anyang, Henan 455000 (China); State Key laboratory of Coal Conversion, Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan, Shanxi 030001 (China); Zhang, Xuemei [College of Physics and Electrical Engineering, Anyang Normal University, Anyang, Henan 455000 (China); Wang, Shengguang [State Key laboratory of Coal Conversion, Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan, Shanxi 030001 (China); Synfuels China Co., Ltd., Huairou, Beijing 101407 (China)

2015-10-30

Graphical abstract: - Highlights: • Hydrogen adsorption on the A and B termination layers of the Fe{sub 3}O{sub 4}(1 1 0) surface at different coverage has been studied by DFT + U method. • The adsorption of hydrogen prefers surface oxygen atoms on both Fe{sub 3}O{sub 4}(1 1 0) surface layers. • The more stable A layer has stronger adsorption energy than the less stable B layer. • The saturation coverage has two dissociatively adsorbed H{sub 2} on the A layer, and one dissociatively adsorbed H{sub 2} on the B layer. - Abstract: Hydrogen adsorption on the A and B termination layers of the Fe{sub 3}O{sub 4}(1 1 0) surface at different coverage has been systematically studied by density functional theory calculations including an on-site Hubbard term (GGA + U). The adsorption of hydrogen prefers surface oxygen atoms on both layers. The more stable A layer has stronger adsorption energy than the less stable B layer. The saturation coverage has two dissociatively adsorbed H{sub 2} on the A layer, and one dissociatively adsorbed H{sub 2} on the B layer. The adsorption mechanism has been analyzed on the basis of projected density of states (PDOS).

Scanning Tunneling Microscopy Study of Carbon Tetrachloride Adsorption and Degradation on a Natural a-Fe2O3(0001) Surface in Ultrahigh Vacuum

Science.gov (United States)

Taeg Rim, Kwang; Fitts, Jeffrey; Adib, Kaveh; Camillone, Nicholas, III; Schlosser, Peter; Osgood, Richard, Jr.; Flynn, George; Joyce, Stephen

2001-03-01

Scanning tunneling microscopy and low energy electron diffraction have been used to study a natural a-Fe2O3(0001) surface and the adsorption and degradation of carbon tetrachloride on the reduced Fe3O4(111) terminated surface. A natural a-Fe2O3 (0001) surface was prepared by repeated cycles of Ar+ ion sputtering and annealing in vacuum or in O2 at 850 K. STM images and a LEED pattern indicate that an Fe3O4(111) terminated surface and a bi-phase can be formed depending on annealing conditions. The Fe3O4(111) terminated surface was dosed with CCl4 at room temperature, and flashed up to 590 K and 850 K. STM images show adsorbates on the surface at room temperature and the degradation products of CCl4 are isolated on the surface as the flashing temperature increases up to 850 K. Results from a companion temperature programmed desorption investigation are used in conjunction with the STM images to propose site specific reactions of CCl4 on the Fe3O4(111) terminated surface.

Enhanced optical and electrical properties of Y-doped ZnO nanoparticles having different Y concentrations

Science.gov (United States)

Üzar, Neslihan

2018-04-01

In this study, undoped ZnO and yttrium (Y)-doped ZnO (YZO) nanoparticles having different Y dopant concentrations (Zn1- x Y x O; x = 0.005, 0.01, 0.015, 0.02) were successfully synthesized by sol-gel dip-coating method. Structural characterizations of the obtained samples were examined with scanning electron microscopy (SEM), energy dispersive spectroscopy (EDS) and X-ray diffraction (XRD) analyses. SEM analysis shows that the synthesized nanoparticles are mostly dot-like structures. The sizes of nanostructures decrease with increasing Y-doping concentration up to 2 mol % Y and XRD results show that all of samples have wurtzite hexagonal structure of ZnO with (002) c-plane orientation. According to EDS results pure YZO samples are obtained. Optical transmittances of all samples were investigated in the range of 350-750 nm at room temperature. The average optical transmittances of YZO samples in the visible region are approximately over 90%, but the transmittance starts to decrease for Zn0.98Y0.02O sample. Also, it was observed that the optical transmittances of Y-doped samples are higher than that of undoped ZnO. The electrical properties of YZO samples were obtained by resistance measurements at room temperature. The resistivity of samples was found to be 2.25 × 10-3, 1.43 × 10-3, 7.8 × 10-3, and 1.3 × 10-3 Ω-cm for Zn0.995Y0.005O, Zn0.99Y0.01O, Zn0.985Y0.015O and Zn0.98Y0.02O, respectively. All these results show that surface, structural, electrical and optical properties of ZnO samples can be improved with doping Y up to 2 mol % concentrations.