WorldWideScience

Sample records for oxide surfaces final

  1. Mechanisms for formation and disruption of surface oxides: Final report

    International Nuclear Information System (INIS)

    Lumsden, J.B.

    1987-08-01

    Mill-annealed alloys 600, 690 and 800 were exposed to 10 and 50% caustic solutions containing 1% Na 2 CO 3 to initiate IGA. IGA reproducibly occurred in all three alloys in the 10% caustic solution at 350 0 C after a 240 h exposure and in the 50% caustic solution at 320 0 C after a 120 h exposure. Reproducible IGA did not occur in the 10% caustic solution at 320 0 C after a 120 h exposure. IGA was not observed in mill annealed plus thermally treated alloys 600 and 690 after exposure to any of the test conditions. IGA initiation was correlated with a dealloying mechanism in which the more active alloying metals, iron and chromium, selectively dissolve. Boric acid and calcium hydroxide additives were found to slow or prevent IGA by inhibiting dealloying. Titanates prevented IGA in alloys 600, 690 and 800, passivating the surface with a nickel titanate film

  2. Iron oxide surfaces

    Science.gov (United States)

    Parkinson, Gareth S.

    2016-03-01

    known with a high degree of precision and the major defects and properties are well characterised. A major factor in this is that a termination at the Feoct-O plane can be reproducibly prepared by a variety of methods, as long as the surface is annealed in 10-7-10-5 mbar O2 in the final stage of preparation. Such straightforward preparation of a monophase termination is generally not the case for iron oxide surfaces. All available evidence suggests the oft-studied (√2×√2)R45° reconstruction results from a rearrangement of the cation lattice in the outermost unit cell in which two octahedral cations are replaced by one tetrahedral interstitial, a motif conceptually similar to well-known Koch-Cohen defects in Fe1-xO. The cation deficiency results in Fe11O16 stoichiometry, which is in line with the chemical potential in ultra-high vacuum (UHV), which is close to the border between the Fe3O4 and Fe2O3 phases. The Fe3O4(111) surface is also much studied, but two different surface terminations exist close in energy and can coexist, which makes sample preparation and data interpretation somewhat tricky. Both the Fe3O4(100) and Fe3O4(111) surfaces exhibit Fe-rich terminations as the sample selvedge becomes reduced. The Fe3O4(110) surface forms a one-dimensional (1×3) reconstruction linked to nanofaceting, which exposes the more stable Fe3O4(111) surface. α-Fe2O3(0001) is the most studied haematite surface, but difficulties preparing stoichiometric surfaces under UHV conditions have hampered a definitive determination of the structure. There is evidence for at least three terminations: a bulk-like termination at the oxygen plane, a termination with half of the cation layer, and a termination with ferryl groups. When the surface is reduced the so-called "bi-phase" structure is formed, which eventually transforms to a Fe3O4(111)-like termination. The structure of the bi-phase surface is controversial; a largely accepted model of coexisting Fe1-xO and α-Fe2O3(0001) islands

  3. Final Technical Report: Metal—Organic Surface Catalyst for Low-temperature Methane Oxidation: Bi-functional Union of Metal—Organic Complex and Chemically Complementary Surface

    Energy Technology Data Exchange (ETDEWEB)

    Tait, Steven L. [Indiana Univ., Bloomington, IN (United States)

    2016-10-01

    serve as easily tuned model systems for exploring the chemistry of single-site transition metals and tandem catalysts that could then be developed into a zeolite or other stable support structures. In this final technical report, three major advances our described that further these goals. The first is a study demonstrating the ability to tune the oxidation state of V single-site centers on a surface by design of the surrounding ligand field. The synthesis of the single-site centers was developed in a previous reporting period of this project and this new advance shows a distinct new ability of the systems to have a designed oxidation state of the metal center. Second, we demonstrate metal complexation at surfaces using vibrational spectroscopy and also show a metal replacement reaction on Ag surfaces. Third, we demonstrate a surface-catalyzed dehydrocyclization reaction important for metal-organic catalyst design at surfaces.

  4. Role of nanoparticles in phase separation and final morphology of superhydrophobic polypropylene/zinc oxide nanocomposite surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Hejazi, Iman [Department of Polymer Engineering and Color Technology, Amirkabir University of Technology, Tehran (Iran, Islamic Republic of); Hajalizadeh, Bardia [Department of Chemical Engineering, Islamic Azad University, Shahrood Branch, P.O. Box 36155-163, Shahrood (Iran, Islamic Republic of); Seyfi, Javad, E-mail: Jseyfi@gmail.com [Department of Chemical Engineering, Islamic Azad University, Shahrood Branch, P.O. Box 36155-163, Shahrood (Iran, Islamic Republic of); Sadeghi, Gity Mir Mohamad [Department of Polymer Engineering and Color Technology, Amirkabir University of Technology, Tehran (Iran, Islamic Republic of); Jafari, Seyed-Hassan [School of Chemical Engineering, University of Tehran, P.O. Box 11155-4563, Tehran (Iran, Islamic Republic of); Khonakdar, Hossein Ali [Iran Polymer and Petrochemical Institute, P.O. Box 14965/115, Tehran (Iran, Islamic Republic of)

    2014-02-28

    In this work, phase separation process was revisited to study the effect of nanoparticles in acceleration of phase separation and formation of hierarchical structures. Superhydrophobic surfaces were prepared using polypropylene (PP) and the corresponding nanocomposites containing zinc oxide (ZnO) nanoparticles through a typical solution casting method. The wettability and morphological behavior of the surfaces were investigated via water contact angle (WCA) measurements and scanning electron microscopy (SEM), respectively. It was found that upon introduction of ZnO nanoparticles into the pure PP, the obtained surfaces have become superhydrophobic with WCAs above 150° and sliding angles below 10°. Calcination of ZnO nanoparticles was exploited to explicate the unexpected significant loss in superhydrophobicity of the sample loaded with high ZnO content. Crystallization behavior of the samples were also investigated via differential scanning calorimetry and correlated to superhydrophobicity of the surfaces. X-ray photoelectron and Fourier transform infrared spectroscopies were also utilized to further characterize the samples. An attempt was also made to present a more clear mechanism for formation of hierarchical structures which are responsible for superhydrophobicity. Likewise, the so far proposed mechanisms for formation of micro/nano roughness on the superhydrophobic surfaces were reviewed as well.

  5. Final Report: The Impact of Carbonate on Surface Protonation, Electron Transfer and Crystallization Reactions in Iron Oxide Nanoparticles and Colloids

    Energy Technology Data Exchange (ETDEWEB)

    Dixon, David Adams [The University of Alabama

    2013-07-02

    This project addresses key issues of importance in the geochemical behavior of iron oxides and in the geochemical cycling of carbon and iron. For Fe, we are specifically studying the influence of carbonate on electron transfer reactions, solid phase transformations, and the binding of carbonate to reactive sites on the edges of particles. The emphasis on carbonate arises because it is widely present in the natural environment, is known to bind strongly to oxide surfaces, is reactive on the time scales of interest, and has a speciation driven by acid-base reactions. The geochemical behavior of carbonate strongly influences global climate change and CO{sub 2} sequestration technologies. Our goal is to answer key questions with regards to specific site binding, electron transfer reactions, and crystallization reactions of iron oxides that impact both the geochemical cycling of iron and CO{sub 2} species. Our work is focused on the molecular level description of carbonate chemistry in solution including the prediction of isotope fractionation factors. We have also done work on critical atmospheric species.

  6. Defects at oxide surfaces

    CERN Document Server

    Thornton, Geoff

    2015-01-01

    This book presents the basics and characterization of defects at oxide surfaces. It provides a state-of-the-art review of the field, containing information to the various types of surface defects, describes analytical methods to study defects, their chemical activity and the catalytic reactivity of oxides. Numerical simulations of defective structures complete the picture developed. Defects on planar surfaces form the focus of much of the book, although the investigation of powder samples also form an important part. The experimental study of planar surfaces opens the possibility of applying the large armoury of techniques that have been developed over the last half-century to study surfaces in ultra-high vacuum. This enables the acquisition of atomic level data under well-controlled conditions, providing a stringent test of theoretical methods. The latter can then be more reliably applied to systems such as nanoparticles for which accurate methods of characterization of structure and electronic properties ha...

  7. Spectroscopic studies of initial steps of oxidation processes at surfaces: Investigation of oxide layer formation on tubing materials of research reactors. Final report for the period 15 February 1987 - 15 February 1990

    International Nuclear Information System (INIS)

    Milun, M.

    1990-01-01

    The project was aimed towards investigation of oxidation process at metallic surfaces. The samples studied ranged from monocrystalline, well defined single component-low index- to binary alloy-polycrystalline surfaces. 8 refs

  8. Calculations of oxide formation on low-index Cu surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Lian, Xin; Liu, Renlong, E-mail: lrl@cqu.edu.cn, E-mail: henkelman@utexas.edu [College of Chemistry and Chemical Engineering, Chongqing University, Chongqing 400030 (China); Xiao, Penghao; Yang, Sheng-Che; Henkelman, Graeme, E-mail: lrl@cqu.edu.cn, E-mail: henkelman@utexas.edu [Department of Chemistry and the Institute for Computational and Engineering Sciences, University of Texas at Austin, Austin, Texas 78712-0165 (United States)

    2016-07-28

    Density-functional theory is used to evaluate the mechanism of copper surface oxidation. Reaction pathways of O{sub 2} dissociation on the surface and oxidation of the sub-surface are found on the Cu(100), Cu(110), and Cu(111) facets. At low oxygen coverage, all three surfaces dissociate O{sub 2} spontaneously. As oxygen accumulates on the surfaces, O{sub 2} dissociation becomes more difficult. A bottleneck to further oxidation occurs when the surfaces are saturated with oxygen. The barriers for O{sub 2} dissociation on the O-saturated Cu(100)-c(2×2)-0.5 monolayer (ML) and Cu(100) missing-row structures are 0.97 eV and 0.75 eV, respectively; significantly lower than those have been reported previously. Oxidation of Cu(110)-c(6×2), the most stable (110) surface oxide, has a barrier of 0.72 eV. As the reconstructions grow from step edges, clean Cu(110) surfaces can dissociatively adsorb oxygen until the surface Cu atoms are saturated. After slight rearrangements, these surface areas form a “1 ML” oxide structure which has not been reported in the literature. The barrier for further oxidation of this “1 ML” phase is only 0.31 eV. Finally the oxidized Cu(111) surface has a relatively low reaction energy barrier for O{sub 2} dissociation, even at high oxygen coverage, and allows for facile oxidation of the subsurface by fast O diffusion through the surface oxide. The kinetic mechanisms found provide a qualitative explanation of the observed oxidation of the low-index Cu surfaces.

  9. Oxidation of Ethylene Carbonate on Li Metal Oxide Surfaces

    DEFF Research Database (Denmark)

    Østergaard, Thomas M.; Giordano, Livia; Castelli, Ivano Eligio

    2018-01-01

    Understanding the reactivity of the cathode surface is of key importance to the development of batteries. Here, density functional theory is applied to investigate the oxidative decomposition of the electrolyte component, ethylene carbonate (EC), on layered LixMO(2) oxide surfaces. We compare...

  10. Spectroscopic investigation of oxidized solder surfaces

    International Nuclear Information System (INIS)

    Song, Jenn-Ming; Chang-Chien, Yu-Chien; Huang, Bo-Chang; Chen, Wei-Ting; Shie, Chi-Rung; Hsu, Chuang-Yao

    2011-01-01

    Highlights: → UV-visible spectroscopy is successfully used to evaluate the degree of discoloring of solders. → The surface oxides of solders can also be identified by UV-visible absorption spectra. → The discoloration of solder surface can be correlated with optical characterization of oxides. → A strategy against discoloring by alloying was also suggested. - Abstract: For further understanding of the discoloration of solder surfaces due to oxidation during the assembly and operation of electronic devices, UV-vis and X-ray photoelectron spectroscopic analyses were applied to evaluate the degree of discoloring and identify the surface oxides. The decrease in reflectance of the oxidized solder surface is related to SnO whose absorption band is located within the visible region. A trace of P can effectively depress the discoloration of solders under both solid and semi-solid states through the suppression of SnO.

  11. Effect of Ge surface termination on oxidation behavior

    Science.gov (United States)

    Lee, Younghwan; Park, Kibyung; Cho, Yong Soo; Lim, Sangwoo

    2008-09-01

    Sulfur-termination was formed on the Ge(1 0 0) surface using (NH 4) 2S solution. Formation of Ge-S and the oxidation of the S-terminated Ge surface were monitored with multiple internal reflection Fourier transform infrared spectroscopy and X-ray photoelectron spectroscopy. In the 0.5, 5, or 20% (NH 4) 2S solution, H-termination on the Ge(1 0 0) surface was substituted with S-termination in 1 min. When the S-terminated Ge(1 0 0) surface was exposed in air ambient, the oxidation was retarded for about 3600 min. The preservation time of the oxide layer up to one monolayer of S-terminated Ge(1 0 0) surface was about 120 times longer than for the H-terminated Ge(1 0 0) surface. However, the oxidation of S-terminated Ge(1 0 0) surface drastically increased after the threshold time. There was no significant difference in threshold time between S-terminations formed in 0.5, 5, and 20% (NH 4) 2S solutions. With the surface oxidation, desorption of S on the Ge surface was observed. The desorption behavior of sulfur on the S-terminated Ge(1 0 0) surface was independent of the concentration of the (NH 4) 2S solution that forms S-termination. Non-ideal S-termination on Ge surfaces may be related to drastic oxidation of the Ge surface. Finally, with the desulfurization on the S-terminated Ge(1 0 0) surface, oxide growth is accelerated.

  12. The surface physics work station: final design

    International Nuclear Information System (INIS)

    Landers, R.; Kleiman, G.G.; Castro, S.G.C. de; Douglas, R.A.; Nascente, P.A.P.

    1996-01-01

    Thanks to funding from FAPESP we will be installing in the beginning of 1997 a work station for electron spectroscopy designed for the study of clean solid surfaces and the modification of these surfaces by deposition in situ of ultra thin metallic films. The main analytical tool will be a high resolution hemispherical analyzer made by VSW-Omicrom (EA 125 HR) which is capable of better than 5 meV resolution and high transmission due to its five channeltron multi detection system. The system will also have a Rear View LEED Optics for single crystal studies. The system will be housed in a 16'' cylindrical chamber with mu metal magnetic shielding having two levels for analysis. The upper level will contain instruments for technique which do not require photons such as LEED and sample cleaning. The lower level will have the electron analyzer, conventional X-ray source (Al/Mg), electron gun for Auger, e-beam evaporators for thin film deposition and ports for the future addition of different detectors. We will have a manipulator with 5 degrees of freedom (thre translation and two rotational) and sample heating and LN cooling. Finally we will have a fast entry/preparation chamber. The pumping system will have a combination of turbomolecular and ion pumps for the main chamber and a turbo for the fast entr/prep chamber. The system will be used initially for the study of surface alloys by XPS and Photoelectron Diffraction but as soon as it is properly characterized it will be open for collaborations with other groups interested in using its capabilities. (author)

  13. Oxide surfaces and metal/oxide interfaces studied by grazing incidence X-ray scattering

    Science.gov (United States)

    Renaud, Gilles

    important physical properties such as superconductivity or magnetism is also briefly reviewed. The strengths and limitations of the technique, such as the need for single crystals and surfaces of high crystalline quality are discussed. Finally, an outlook of future prospects in the field is given, such as the study of more complex oxide surfaces, vicinal surfaces, reactive metal/oxide interfaces, metal oxidation processes, the use of surfactants to promote wetting of a metal deposited on an oxide surface or the study of oxide/liquid interfaces in a non-UHV environment.

  14. Atomic profile imaging of ceramic oxide surfaces

    International Nuclear Information System (INIS)

    Bursill, L.A.; Peng JuLin; Sellar, J.R.

    1989-01-01

    Atomic surface profile imaging is an electron optical technique capable of revealing directly the surface crystallography of ceramic oxides. Use of an image-intensifier with a TV camera allows fluctuations in surface morphology and surface reactivity to be recorded and analyzed using digitized image data. This paper reviews aspects of the electron optical techniques, including interpretations based upon computer-simulation image-matching techniques. An extensive range of applications is then presented for ceramic oxides of commercial interest for advanced materials applications: including uranium oxide (UO 2 ); magnesium and nickel oxide (MgO,NiO); ceramic superconductor YBa 2 Cu 3 O 6.7 ); barium titanate (BaTiO 3 ); sapphire (α-A1 2 O 3 ); haematite (α-Fe-2O 3 ); monoclinic, tetragonal and cubic monocrystalline forms of zirconia (ZrO 2 ), lead zirconium titanate (PZT + 6 mol.% NiNbO 3 ) and ZBLAN fluoride glass. Atomic scale detail has been obtained of local structures such as steps associated with vicinal surfaces, facetting parallel to stable low energy crystallographic planes, monolayer formation on certain facets, relaxation and reconstructions, oriented overgrowth of lower oxides, chemical decomposition of complex oxides into component oxides, as well as amorphous coatings. This remarkable variety of observed surface stabilization mechanisms is discussed in terms of novel double-layer electrostatic depolarization mechanisms, as well as classical concepts of the physics and chemistry of surfaces (ionization and affinity energies and work function). 46 refs., 16 figs

  15. CO oxidation on PdO surfaces

    DEFF Research Database (Denmark)

    Hirvi, Janne T.; Kinnunen, Toni-Jani J.; Suvanto, Mika

    2010-01-01

    Density functional calculations were performed in order to investigate CO oxidation on two of the most stable bulk PdO surfaces. The most stable PdO(100) surface, with oxygen excess, is inert against CO adsorption, whereas strong adsorption on the stoichiometric PdO(101) surface leads to favorable...... oxidation via the Langmuir–Hinshelwood mechanism. The reaction with a surface oxygen atom has an activation energy of 0.66 eV, which is comparable to the lowest activation energies observed on metallic surfaces. However, the reaction rate may be limited by the coverage of molecular oxygen. Actually...... adsorption, following the Eley–Rideal mechanism and taking advantage of the reaction tunnel provided by the adjacent palladium atom, has an activation energy of only 0.24 eV. The reaction mechanism and activation energy for the palladium activated CO oxidation on the most stable PdO(100)–O surface...

  16. Membranes for corrosive oxidations. Final CRADA report.

    Energy Technology Data Exchange (ETDEWEB)

    Snyder, S. W.; Energy Systems

    2010-02-01

    The objective of this project is to develop porous hydrophilic membranes that are highly resistant to oxidative and corrosive conditions and to deploy them for recovery and purification of high tonnage chemicals such as hydrogen peroxide and other oxychemicals. The research team patented a process for membrane-based separation of hydrogen peroxide (US Patent No. 5,662,878). The process is based on using a hydrophilic membrane to separate hydrogen peroxide from the organic working solution. To enable this process, a new method for producing hydrophilic membrane materials (Patent No.6,464,880) was reported. We investigated methods of producing these hydrophilic materials and evaluated separations performance in comparison to membrane stability. It was determined that at the required membrane flux, membrane stability was not sufficient to design a commercial process. This work was published (Hestekin et al., J. Membrane Science 2006). To meet the performance needs of the process, we developed a membrane contactor method to extract the hydrogen peroxide, then we surveyed several commercial and pre-commercial membrane materials. We identified pre-commercial hydrophilic membranes with the required selectivity, flux, and stability to meet the needs of the process. In addition, we invented a novel reaction/separations format that greatly increases the performance of the process. To test the performance of the membranes and the new formats we procured and integrated reactor/membrane separations unit that enables controlled mixing, flow, temperature control, pressure control, and sampling. The results were used to file a US non-provisional patent application (ANL-INV 03-12). Hydrogen peroxide is widely used in pulp and paper applications, environmental treatment, and other industries. Virtually all hydrogen peroxide production is now based on a process featuring catalytic hydrogenation followed by auto-oxidation of suitable organic carrier molecules. This process has several

  17. Chemical diffusion on solid surfaces. Final report

    International Nuclear Information System (INIS)

    Hudson, J.B.

    1980-12-01

    The techniques of surface science have been applied to the problem of the measurement of the surface diffusion rate of an adsorbed species over the surface of a chemically dissimilar material. Studies were carried out for hydrogen and nitrogen adatoms on a Ni(100) surface and for silver adatoms on a sapphire surface. Positive results were obtained only for the case of nitrogen on Ni(100). In this system the diffusivity is characterized by the expression D = D 0 exp (/sup -ΔH//RT), with D 0 = 0.25 cm 2 /sec and ΔH = 28kcal/mol

  18. Quasiparticle Interference on Cubic Perovskite Oxide Surfaces.

    Science.gov (United States)

    Okada, Yoshinori; Shiau, Shiue-Yuan; Chang, Tay-Rong; Chang, Guoqing; Kobayashi, Masaki; Shimizu, Ryota; Jeng, Horng-Tay; Shiraki, Susumu; Kumigashira, Hiroshi; Bansil, Arun; Lin, Hsin; Hitosugi, Taro

    2017-08-25

    We report the observation of coherent surface states on cubic perovskite oxide SrVO_{3}(001) thin films through spectroscopic-imaging scanning tunneling microscopy. A direct link between the observed quasiparticle interference patterns and the formation of a d_{xy}-derived surface state is supported by first-principles calculations. We show that the apical oxygens on the topmost VO_{2} plane play a critical role in controlling the coherent surface state via modulating orbital state.

  19. Chemical Reactions at Surfaces. Final Progress Report

    Energy Technology Data Exchange (ETDEWEB)

    Freud, Hans-Joachim [Max-Planck-Gesellschaft, Berlin (Germany). Fritz-Haber-Inst.

    2003-02-21

    The Gordon Research Conference (GRC) on Chemical Reactions at Surfaces was held at Holiday Inn, Ventura, California, 2/16-21/03. Emphasis was placed on current unpublished research and discussion of the future target areas in this field.

  20. Coal surface structure and thermodynamics. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Larsen, J.W.; Wernett, P.C.; Glass, A.S.; Quay, D.; Roberts, J.

    1994-05-01

    Coals surfaces were studied using static surface adsorption measurements, low angle x-ray scattering (LAXS), inverse gas chromatography (IGC) and a new {sup 13}C NMR relaxation technique. A comparison of surface areas determined by hydrocarbon gas adsorption and LAXS led to the twin conclusions that the hydrocarbons had to diffuse through the solid to reach isolated pores and that the coal pores do not form interconnected networks, but are largely isolated. This conclusion was confirmed when IGC data for small hydrocarbons showed no discontinuities in their size dependence as usually observed with porous solids. IGC is capable of providing adsorption thermodynamics of gases on coal surfaces. The interactions of non-polar molecules and coal surfaces are directly proportioned to the gas molecular polarizability. For bases, the adsorption enthalpy is equal to the polarizability interaction plus the heat of hydrogen bond formation with phenol. Amphoteric molecules have more complex interactions. Mineral matter can have highly specific effects on surface interactions, but with most of the molecules studied is not an important factor.

  1. Surface chemistry on interstellar oxide grains

    International Nuclear Information System (INIS)

    Denison, P.; Williams, D.A.

    1981-01-01

    Detailed calculations are made to test the predictions of Duley, Millar and Williams (1978) concerning the chemical reactivity of interstellar oxide grains. A method is established for calculating interaction energies between atoms and the perfect crystal with or without surface vacancy sites. The possibility of reactions between incident atoms and absorbed atoms is investigated. It is concluded that H 2 formation can occur on the perfect crystal surfaces, and that for other diatomic molecules the important formation sites are the Fsub(s)- and V 2- sub(s)-centres. The outline by Duley, Millar and Williams (1979) of interstellar oxide grain growth and destruction is justified by these calculations. (author)

  2. Modification of polycarbonate surface in oxidizing plasma

    Science.gov (United States)

    Ovtsyn, A. A.; Smirnov, S. A.; Shikova, T. G.; Kholodkov, I. V.

    2017-11-01

    The properties of the surface of the film polycarbonate Lexan 8010 were experimentally studied after treatment in a DC discharge plasma in oxygen and air at pressures of 50-300 Pa and a discharge current of 80 mA. The contact angles of wetting and surface energies are measured. The topography of the surface was investigated by atomic force microscopy. The chemical composition of the surface was determined from the FT-IR spectroscopy data in the variant of total internal reflection, as well as X-ray photoelectron spectroscopy. Treatment in the oxidizing plasma leads to a change in morphology (average roughness increases), an increase in the surface energy, and the concentration of oxygen-containing groups (hydroxyl groups, carbonyl groups in ketones or aldehydes and in oxyketones) on the surface of the polymer. Possible reasons for the difference in surface properties of polymer under the action of oxygen and air plasma on it are discussed.

  3. Structure-Reactivity Relationships in Multi-Component Transition Metal Oxide Catalysts FINAL Report

    Energy Technology Data Exchange (ETDEWEB)

    Altman, Eric I. [Yale Univ., New Haven, CT (United States)

    2015-10-06

    The focus of the project was on developing an atomic-level understanding of how transition metal oxide catalysts function. Over the course of several renewals the specific emphases shifted from understanding how local structure and oxidation state affect how molecules adsorb and react on the surfaces of binary oxide crystals to more complex systems where interactions between different transition metal oxide cations in an oxide catalyst can affect reactivity, and finally to the impact of cluster size on oxide stability and reactivity. Hallmarks of the work were the use of epitaxial growth methods to create surfaces relevant to catalysis yet tractable for fundamental surface science approaches, and the use of scanning tunneling microscopy to follow structural changes induced by reactions and to pinpoint adsorption sites. Key early findings included the identification of oxidation and reduction mechanisms on a tungsten oxide catalyst surface that determine the sites available for reaction, identification of C-O bond cleavage as the rate limiting step in alcohol dehydration reactions on the tungsten oxide surface, and demonstration that reduction does not change the favored reaction pathway but rather eases C-O bond cleavage and thus reduces the reaction barrier. Subsequently, a new reconstruction on the anatase phase of TiO2 relevant to catalysis was discovered and shown to create sites with distinct reactivity compared to other TiO2 surfaces. Building on this work on anatase, the mechanism by which TiO2 enhances the reactivity of vanadium oxide layers was characterized and it was found that the TiO2 substrate can force thin vanadia layers to adopt structures they would not ordinarily form in the bulk which in turn creates differences in reactivity between supported layers and bulk samples. From there, the work progressed to studying well-defined ternary oxides where synergistic effects between the two cations can induce

  4. Adsorption on metal surfaces: Final report

    International Nuclear Information System (INIS)

    Einstein, T.L.; Glover, R.E. III; Park, R.L.

    1987-01-01

    This report discusses the progress at the University of Maryland Department of Physics on the adsorption of atoms or molecules on the surfaces of metals. Also discussed are: Phase transformation studies; the use of transfer matrices to study the 2-d, 3-state chiral Potts model; electron-induced ionization of core electrons of atoms; the reflected electron energy loss fine structure above the M/sub 2,3/ core excitation edge of Cu; and other research in atomic and solid state physics

  5. Surface characterization of low-temperature grown yttrium oxide

    Science.gov (United States)

    Krawczyk, Mirosław; Lisowski, Wojciech; Pisarek, Marcin; Nikiforow, Kostiantyn; Jablonski, Aleksander

    2018-04-01

    The step-by-step growth of yttrium oxide layer was controlled in situ using X-ray photoelectron spectroscopy (XPS). The O/Y atomic concentration (AC) ratio in the surface layer of finally oxidized Y substrate was found to be equal to 1.48. The as-grown yttrium oxide layers were then analyzed ex situ using combination of Auger electron spectroscopy (AES), elastic-peak electron spectroscopy (EPES) and scanning electron microscopy (SEM) in order to characterize their surface chemical composition, electron transport phenomena and surface morphology. Prior to EPES measurements, the Y oxide surface was pre-sputtered by 3 kV argon ions, and the resulting AES-derived composition was found to be Y0.383O0.465C0.152 (O/Y AC ratio of 1.21). The SEM images revealed different surface morphology of sample before and after Ar sputtering. The oxide precipitates were observed on the top of un-sputtered Y oxide layer, whereas the oxide growth at the Ar ion-sputtered surface proceeded along defects lines normal to the layer plane. The inelastic mean free path (IMFP) characterizing electron transport was evaluated as a function of energy in the range of 0.5-2 keV from the EPES method. Two reference materials (Ni and Au) were used in these measurements. Experimental IMFPs determined for the Y0.383O0.465C0.152 and Y2O3 surface compositions, λ, were uncorrected for surface excitations and approximated by the simple function λ = kEp at electron energies E between 500 eV and 2000 eV, where k and p were fitted parameters. These values were also compared with IMFPs resulting from the TPP-2 M predictive equation for both oxide compositions. The fitted functions were found to be reasonably consistent with the measured and predicted IMFPs. In both cases, the average value of the mean percentage deviation from the fits varied between 5% and 37%. The IMFPs measured for Y0.383O0.465C0.152 surface composition were found to be similar to the IMFPs for Y2O3.

  6. Patterning pentacene surfaces by local oxidation nanolithography

    International Nuclear Information System (INIS)

    Losilla, N.S.; Martinez, J.; Bystrenova, E.; Greco, P.; Biscarini, F.; Garcia, R.

    2010-01-01

    Sequential and parallel local oxidation nanolithographies have been applied to pattern pentacene samples by creating a variety of nanostructures. The sequential local oxidation process is performed with an atomic force microscope and requires the application of a sequence of voltage pulses of 36 V for 1 ms. The parallel local oxidation process is performed by using a conductive and patterned stamp. Then, a voltage pulse is applied between the stamp and the pentacene surface. Patterns formed by arrays of parallel lines covering 1 mm 2 regions and with a periodicity of less than 1 μm have been generated in a few seconds. We also show that the patterns can be used as templates for the deposition of antibodies.

  7. Temperature effect on surface oxidation of titanium

    International Nuclear Information System (INIS)

    Vaquilla, I.; Barco, J.L. del; Ferron, J.

    1990-01-01

    The effect of temperature on the first stages of the superficial oxidation of polycrystalline titanium was studied using both Auger electron spectroscopy (AES) and emission shreshold (AEAPS). The number of compounds present on the surface was determined by application of the factor analysis technique. Reaction evolution was followed through the relative variation of Auger LMM and LMV transitions which are characteristic of titanium. Also the evolution of the chemical shift was determined by AEAPS. The amount of oxygen on the surface was quantified using transition KLL of oxygen. It was found that superficial oxidation depends on temperature. As much as three different compounds were determined according to substrate temperature and our exposure ranges. (Author). 7 refs., 5 figs

  8. Negative secondary ion emission from oxidized surfaces

    International Nuclear Information System (INIS)

    Gnaser, H.; Kernforschungsanlage Juelich G.m.b.H.

    1984-01-01

    The emission of negative secondary ions from 23 elements was studied for 10 keV O 2 + and 10 keV In + impact at an angle of incidence of 45 0 . Partial oxidation of the sample surfaces was achieved by oxygen bombardment and/or by working at a high oxygen partial pressure. It was found that the emission of oxide ions shows an element-characteristic pattern. For the majority of the elements investigated these features are largely invariant against changes of the surface concentration of oxygen. For the others admission of oxygen strongly changes the relative intensities of oxide ions: a strong increase of MO 3 - signals (M stands for the respective element) is accompanied by a decrease of MO - and M - intensities. Different primary species frequently induce changes of both the relative and the absolute negative ion intensities. Carbon - in contrast to all other elements - does not show any detectable oxide ion emission but rather intense cluster ions Csub(n) - (detected up to n=12) whose intensities oscillate in dependence on n. (orig./RK)

  9. Surface Chemistry and Spectroscopy of Chromium in Inorganic Oxides

    NARCIS (Netherlands)

    Weckhuysen, B.M.; Wachs, I.E.; Schoonheydt, R.A.

    1996-01-01

    Focuses on the surface chemistry and spectroscopy of chromium in inorganic oxides. Characterization of the molecular structures of chromium; Mechanics of hydrogenation-dehydrogenation reactions; Mobility and reactivity on oxidic surfaces.

  10. Oxidation of scandium thin films on tungsten surface

    International Nuclear Information System (INIS)

    Gorodetskij, D.A.; Martynyuk, A.V.

    1988-01-01

    Presence of Sc on the surface of W in amounts larger than a monolayer coverage leads to a decrease of the work function at the initial oxidation stage, which is attributed to oxygen implantation into the surface layer of the metal. A subsequent oxidation is followed by the formation on the surface of a thin oxide layer and an increase of the work function. An increase of the amount of Sc deposited on the surface before the oxidation decreases the work function of the obtained oxide from 5.8 (clean W surface) down to 3.3 eV (thick Sc layer on W)

  11. Electrolysis of water on (oxidized) metal surfaces

    DEFF Research Database (Denmark)

    Rossmeisl, Jan; Logadottir, Ashildur; Nørskov, Jens Kehlet

    2005-01-01

    Density functional theory calculations are used as the basis for an analysis of the electrochemical process, where by water is split to form molecular oxygen and hydrogen. We develop a method for obtaining the thermochemistry of the electrochemical water splitting process as a function of the bias...... directly from the electronic structure calculations. We consider electrodes of Pt(111) and Au(111) in detail and then discuss trends for a series of different metals. We show that the difficult step in the water splitting process is the formation of superoxy-type (OOH) species on the surface...... by the splitting of a water molecule on top an adsorbed oxygen atom. One conclusion is that this is only possible on metal surfaces that are (partly) oxidized. We show that the binding energies of the different intermediates are linearly correlated for a number of metals. In a simple analysis, where the linear...

  12. Photocatalysis of Modified Transition Metal Oxide Surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Batzill, Matthias [Univ. of South Florida, Tampa, FL (United States). Dept. of Physics

    2018-02-28

    The goal of this project has been to establish a cause-effect relationship for photocatalytic activity variations of different structures of the same material; and furthermore gain fundamental understanding on modification of photocatalysts by compositional or surface modifications. The reasoning is that gaining atomic scale understanding of how surface and bulk modifications alter the photo reactivity will lead to design principles for next generation photocatalysts. As a prototypical photocatalyst the research focused on TiO2 synthesized in well-defined single crystalline form to enable fundamental characterizations.We have obtained results in the following areas: (a) Preparation of epitaxial anatase TiO2 samples by pulsed laser deposition. (b) Comparison of hydrogen diffusion on different crystallographic surface. (c) Determining the stability of the TiO2(011)-2x1 reconstruction upon interactions with adsorbates. (d) Characterization of adsorption and (thermal and photo) reaction of molecules with nitro-endgroups, (e) Exploring the possibility of modifying planar model photocatalyst surfaces with graphene to enable fundamental studies on reported enhanced photocatalytic activities of graphene modified transition metal oxides, (f) gained fundamental understanding on the role of crystallographic polymorphs of the same material for their photocatalytic activities.

  13. An ab initio study of plutonium oxides surfaces

    International Nuclear Information System (INIS)

    Jomard, G.; Bottin, F.; Amadon, B.

    2007-01-01

    By means of first-principles calculations, we have studied the atomic structure as well as the thermodynamic stability of various plutonium dioxide surfaces in function of their environment (in terms of oxygen partial pressure and temperature). All these simulations have been performed with the ABINIT code. It is well known that DFT fails to describe correctly plutonium-based materials since 5f electrons in such systems are strongly correlated. In order to go beyond DFT, we have treated PuO 2 and β-Pu 2 O 3 in a DFT+U framework. We show that the couple of parameters (U,J) that works well for pure Pu is also well designed for describing ground state (GS) properties of these two oxides. The major improvement with respect with DFT is that we are able to predict an insulating GS in agreement with experiments. The presence of a gap in the DOS (Density of States) of plutonium oxides should play a significant role in the predicted surface reactivity. However, performing DFT+U calculations on surfaces of plutonium oxide from scratch was too ambitious. That is why we decided, as a first step, to study the stability of the (100), (110) and (111) surfaces of PuO 2 in a DFT-GGA framework. For each of these orientations, we considered various terminations. These ab initio results have been introduced in a thermodynamic model which allows us to predict the relative stability of the different terminations as a function of temperature and oxygen partial pressure (p O 2 ). We conclude that at room temperature and for p O 2 ∼10 atm., the polar O 2 -(100) termination is favoured. The stabilization of such a polar stoichiometric surface is surprising and should be confirmed by DFT+U calculations before any final conclusion. (authors)

  14. In-situ oxidation study of Pd(100) by surface x-ray diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Kilic, Volkan; Franz, Dirk; Stierle, Andreas [AG Grenzflaechen, Universitaet Siegen (Germany); Martin, Natalia; Lundgren, Edvin [Department of Synchrotron Radiation Research, Lund University (Sweden); Mantilla, Miguel [MPI fuer Metallforschung, Stuttgart (Germany)

    2011-07-01

    The oxidation of the Pd(100) surface at oxygen pressures in the 10{sup -6} mbar to 10{sup 3} mbar range and temperatures up to 1000 K has been studied in-situ by surface x-ray diffraction (SXRD). The SXRD experiments were performed at the MPI beamline at the Angstrom Quelle Karlsruhe (ANKA). We present the surface and crystal truncation rod (CTR) data from the ({radical}(5) x {radical}(5)) surface layer. We show that the transformation from the surface oxide to PdO bulk oxide can be observed in-situ under specific pressure and temperature conditions. We compare our results with previously proposed structure models based on low energy electron diffraction (LEED) I(V) curves and density functional theory calculations. Finally, we elucidate the question of commensurability of the surface oxide layer with respect to the Pd(100) substrate.

  15. Control of Surface and Edge Oxidation on Phosphorene.

    Science.gov (United States)

    Kuntz, Kaci L; Wells, Rebekah A; Hu, Jun; Yang, Teng; Dong, Baojuan; Guo, Huaihong; Woomer, Adam H; Druffel, Daniel L; Alabanza, Anginelle; Tománek, David; Warren, Scott C

    2017-03-15

    Phosphorene is emerging as an important two-dimensional semiconductor, but controlling the surface chemistry of phosphorene remains a significant challenge. Here, we show that controlled oxidation of phosphorene determines the composition and spatial distribution of the resulting oxide. We used X-ray photoemission spectroscopy to measure the binding energy shifts that accompany oxidation. We interpreted these spectra by calculating the binding energy shift for 24 likely bonding configurations, including phosphorus oxides and hydroxides located on the basal surface or edges of flakes. After brief exposure to high-purity oxygen or high-purity water vapor at room temperature, we observed phosphorus in the +1 and +2 oxidation states; longer exposures led to a large population of phosphorus in the +3 oxidation state. To provide insight into the spatial distribution of the oxide, transmission electron microscopy was performed at several stages during the oxidation. We found crucial differences between oxygen and water oxidants: while pure oxygen produced an oxide layer on the van der Waals surface, water oxidized the material at pre-existing defects such as edges or steps. We propose a mechanism based on the thermodynamics of electron transfer to interpret these observations. This work opens a route to functionalize the basal surface or edges of two-dimensional (2D) black phosphorus through site-selective chemical reactions and presents the opportunity to explore the synthesis of 2D phosphorene oxide by oxidation.

  16. Final state effects in photoemission studies of Fermi surfaces

    International Nuclear Information System (INIS)

    Kurtz, Richard L; Browne, Dana A; Mankey, Gary J

    2007-01-01

    Photoelectron spectroscopy is one of the most important methods for extracting information about the Fermi surface (FS) of materials. An electron photoexcited from the FS is emitted from the crystal conserving the parallel momentum, k parallel , while the perpendicular momentum k perpendicular is reduced due to the surface potential barrier. A simple interpretation of the process assumes the final state is free-electron-like allowing one to 'map' the detected photoelectron back to its initial k momentum. There are multiple final state effects that can complicate the interpretation of photoelectron data and these effects are reviewed here. These can involve both energy and k broadening, which can give rise to shadow or ghost FS contours, scattering and final state diffraction effects that modify intensities, and matrix element effects which reflect the symmetries of the states involved and can be highly dependent on photon polarization. These matrix elements result in contours of photoelectron intensity that follow the dispersion in k-space of the initial state, the FS, and the final state. Locations where intensities go to zero due to matrix element and symmetry effects can result in gaps where FS contours 'disappear'. Recognition that these effects can play a significant role in determining the measured angular distributions is crucial in developing an informed model of where the FS contours actually lie in relation to measured intensity contours

  17. Effect of CO on surface oxidation of uranium metal

    International Nuclear Information System (INIS)

    Wang, X.; Fu, Y.; Xie, R.

    1997-01-01

    The surface reactions of uranium metal with carbon monoxide at 25 and 200 deg C have been studied by X-ray photoelectron spectroscopy (XPS);respectively. Adsorption of carbon monoxide on the surface layer of uranium metal leads to partial reduction of surface oxide and results in U4f photoelectron peak shifting to the lower binding energy. The content of oxygen in the surface oxide is decreased and O1s/O4f ratio decreases with increasing the exposure of carbon monoxide. The investigation indicates the surface layer of uranium metal has resistance to further oxidation in the atmosphere of carbon monoxide. (author)

  18. Surface and sub-surface thermal oxidation of thin ruthenium films

    Energy Technology Data Exchange (ETDEWEB)

    Coloma Ribera, R.; Kruijs, R. W. E. van de; Yakshin, A. E.; Bijkerk, F. [MESA+ Institute for Nanotechnology, University of Twente, P.O. Box 217, 7500 AE Enschede (Netherlands); Kokke, S.; Zoethout, E. [FOM Dutch Institute for Fundamental Energy Research (DIFFER), P.O. Box 1207, 3430 BE Nieuwegein (Netherlands)

    2014-09-29

    A mixed 2D (film) and 3D (nano-column) growth of ruthenium oxide has been experimentally observed for thermally oxidized polycrystalline ruthenium thin films. Furthermore, in situ x-ray reflectivity upon annealing allowed the detection of 2D film growth as two separate layers consisting of low density and high density oxides. Nano-columns grow at the surface of the low density oxide layer, with the growth rate being limited by diffusion of ruthenium through the formed oxide film. Simultaneously, with the growth of the columns, sub-surface high density oxide continues to grow limited by diffusion of oxygen or ruthenium through the oxide film.

  19. Surface oxide formation during corona discharge treatment of AA 1050 aluminium surfaces

    DEFF Research Database (Denmark)

    Minzari, Daniel; Møller, Per; Kingshott, Peter

    2008-01-01

    process modifies aluminium AA 1050 surface, the oxide growth and resulting corrosion properties. The corona treatment is carried out in atmospheric air. Treated surfaces are characterized using XPS, SEM/EDS, and FIB-FESEM and results suggest that an oxide layer is grown, consisting of mixture of oxide...

  20. Preferred hydride growth orientations on oxide-coated gadolinium surfaces

    International Nuclear Information System (INIS)

    Benamar, G.M.; Schweke, D.; Kimmel, G.; Mintz, M.H.

    2012-01-01

    Highlights: ► The preferred hydride growth orientations on gadolinium metal coated by a thin oxide layer are presented. ► A preferred growth of the (1 0 0) h plane of the face centered cubic (FCC) GdH 2 is observed for the hydride spots forming below the oxidation layer. ► A change to the (1 1 1) h plane of the cubic hydride dominates for the hydride's Growth Centers. ► The texture change is attributed to the surface normal compressive stress component exerted by the oxidation layer on the developing hydride. - Abstract: The initial development of hydrides on polycrystalline gadolinium (Gd), as on some other hydride forming metals, is characterized by two sequential steps. The first step involves the rapid formation of a dense pattern of small hydride spots (referred to as the “small family” of hydrides) below the native oxidation layer. The second stage takes place when some of the “small family” nucleants (referred to as “growth centers”, GCs) break the oxide layer, leading to their rapid growth and finally to the massive hydriding of the sample. In the present study, the texture of the two hydride families was studied, by combining X-ray diffraction (XRD) analysis with a microscopic analysis of the hydride, using scanning electron microscopy (SEM) and atomic force microscopy (AFM). It has been observed that for the “small family”, a preferred growth of the (1 0 0) h plane of the cubic GdH 2 takes place, whereas for the GCs, a change to the (1 1 1) h plane of the cubic hydride dominates. These preferred growth orientations were analyzed by their structure relation with the (0 0 .1) m basal plane of the Gd metal. It has been concluded that the above texture change is due to the surface normal compressive stress component exerted by the oxidation overlayer on the developing hydride, preventing the (0 0 .1) m ||(1 1 1) h growth orientation. This stress is relieved upon the rupture of that overlayer and the development of the GCs, leading to

  1. Regularities of radiation defects build up on oxide materials surface

    International Nuclear Information System (INIS)

    Bitenbaev, M.I.; Polyakov, A.I.; Tuseev, T.

    2005-01-01

    Analysis of experimental data by radiation defects study on different oxide elements (silicon, beryllium, aluminium, rare earth elements) irradiated by the photo-, gamma-, neutron-, alpha- radiation, protons and helium ions show, that gas adsorption process on the surface centers and radiation defects build up in metal oxide correlated between themselves. These processes were described by the equivalent kinetic equations for analysis of radiation defects build up in the different metal oxides. It was revealed in the result of the analysis: number of radiation defects are droningly increasing up to limit value with the treatment temperature growth. Constant of radicals death at ionizing radiation increases as well. Amount of surface defects in different oxides defining absorbing activity of these materials looks as: silicon oxide→beryllium oxide→aluminium oxide. So it was found, that most optimal material for absorbing system preparation is silicon oxide by it power intensity and berylium oxide by it adsorption efficiency

  2. Solid oxide fuel cells towards real life applications. Final report

    Energy Technology Data Exchange (ETDEWEB)

    2010-07-01

    Solid Oxide Fuel Cells offer a clean and efficient way of producing electricity and heat from a wide selection of fuels. The project addressed three major challenges to be overcome by the technology to make commercialisation possible. (1) At the cell level, increased efficiency combined with production cost reduction has been achieved through an optimization of the manufacturing processes, b) by using alternative raw materials with a lower purchase price and c) by introducing a new generation of fuel cells with reduced loss and higher efficiency. (2) At the stack level, production cost reduction is reduced and manufacturing capacity is increased through an optimization of the stack production. (3) At the system level, development of integrated hotbox concepts for the market segments distributed generation (DG), micro combined heat and power (mCHP), and auxiliary power units (APU) have been developed. In the mCHP segment, two concepts have been developed and validated with regards to market requirements and scalability. In the APU-segment, different types of reformers have been tested and it has been proven that diesel can be reformed through appropriate reformers. Finally, operation experience and feedback has been gained by deployment of stacks in the test facility at the H.C. OErsted Power Plant (HCV). This demonstration has been carried out in collaboration between TOFC and DONG Energy Power A/S (DONG), who has participated as a subcontractor to TOFC. The demonstration has given valuable knowledge and experience with design, start-up and operation of small power units connected to the grid and future development within especially the mCHP segment will benefit from this. In this report, the project results are described for each of the work packages in the project. (Author)

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

    DEFF Research Database (Denmark)

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

    2008-01-01

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

  4. Impact of initial surface parameters on the final quality of laser micro-polished surfaces

    Science.gov (United States)

    Chow, Michael; Bordatchev, Evgueni V.; Knopf, George K.

    2012-03-01

    Laser micro-polishing (LμP) is a new laser-based microfabrication technology for improving surface quality during a finishing operation and for producing parts and surfaces with near-optical surface quality. The LμP process uses low power laser energy to melt a thin layer of material on the previously machined surface. The polishing effect is achieved as the molten material in the laser-material interaction zone flows from the elevated regions to the local minimum due to surface tension. This flow of molten material then forms a thin ultra-smooth layer on the top surface. The LμP is a complex thermo-dynamic process where the melting, flow and redistribution of molten material is significantly influenced by a variety of process parameters related to the laser, the travel motions and the material. The goal of this study is to analyze the impact of initial surface parameters on the final surface quality. Ball-end micromilling was used for preparing initial surface of samples from H13 tool steel that were polished using a Q-switched Nd:YAG laser. The height and width of micromilled scallops (waviness) were identified as dominant parameter affecting the quality of the LμPed surface. By adjusting process parameters, the Ra value of a surface, having a waviness period of 33 μm and a peak-to-valley value of 5.9 μm, was reduced from 499 nm to 301 nm, improving the final surface quality by 39.7%.

  5. Modelling of low energy ion sputtering from oxide surfaces

    International Nuclear Information System (INIS)

    Kubart, T; Nyberg, T; Berg, S

    2010-01-01

    The main aim of this work is to present a way to estimate the values of surface binding energy for oxides. This is done by fitting results from the binary collisions approximation code Tridyn with data from the reactive sputtering processing curves, as well as the elemental composition obtained from x-ray photoelectron spectroscopy (XPS). Oxide targets of Al, Ti, V, Nb and Ta are studied. The obtained surface binding energies are then used to predict the partial sputtering yields. Anomalously high sputtering yield is observed for the TiO 2 target. This is attributed to the high sputtering yield of Ti lower oxides. Such an effect is not observed for the other studied metals. XPS measurement of the oxide targets confirms the formation of suboxides during ion bombardment as well as an oxygen deficient surface in the steady state. These effects are confirmed from the processing curves from the oxide targets showing an elevated sputtering rate in pure argon.

  6. Supercritical water oxidation data acquisition testing. Final report, Volume I

    International Nuclear Information System (INIS)

    1996-11-01

    This report discusses the phase one testing of a data acquisition system for a supercritical water waste oxidation system. The system is designed to destroy a wide range of organic materials in mixed wastes. The design and testing of the MODAR Oxidizer is discussed. An analysis of the optimized runs is included

  7. Molecular-Level Processes Governing the Interaction of Contaminants with Iron and Manganese Oxides - Final Report; FINAL

    International Nuclear Information System (INIS)

    Brown, G. E. Jr.; Chambers, S. A.

    1999-01-01

    Many of the inorganic and organic contaminants present in sediments at DOE sites can be altered or destroyed by reduction and oxidation (redox) reactions occurring at mineral surfaces. A fundamental understanding of such redox processes provided by molecular-level studies on structurally and compositionally well-defined mineral surfaces will lead to: (i) improved models of contaminant fate and transport in geochemical systems, and (ii) optimized manipulation of these processes for remediation purposes. To contribute to this understanding, we will study, both experimentally and theoretically, redox processes involving three important contaminants - chromate ion, carbon tetrachloride, and trichloroethene TCE, on the following iron and manganese oxides - hematite, magnetite, maghemite, and pyrolusite. These oxides and their hydroxylated analogs commonly occur as coatings on minerals or as interfaces in the subsurface environment. Single-crystal surfaces of these oxides will be synthesized in carefully controlled fashion by molecular beam epitaxy. These surfaces, as well as high surface are powdered samples of these oxides, will be used in spectroscopic and kinetic experiments in both aqueous and gas phases. Our goal is to identify products and to determine the kinetics and mechanisms of surface-catalyzed redox reaction of Cr(VI) and CR(III), and the reductive dechlorination of carbon tetrachloride and TCE. The combination of theory and experiment will provide the base information needed to scale from the molecular level to the microscopic grain level minerals

  8. Characterisation and surface reactions of iron oxides and fluorapatite in aqueous suspensions

    OpenAIRE

    Jarlbring, Mathias

    2004-01-01

    The final objective of this study is to produce chemical models of flotation- like systems, including oxidation products of magnetite (maghemite and hematite) together with apatite. This is started by investigating the acid base properties, surface complexation and surface characteristics of the systems hematite-H+ and maghemite-H+ (paper I), fluorapatite-OH- (paper II) and a mixed system of maghemite-fluorapatite-OH- (paper III). Synthetic minerals were prepared and characterised with BET, S...

  9. Surface-Controlled Metal Oxide Resistive Memory

    KAUST Repository

    Ke, Jr-Jian

    2015-10-28

    To explore the surface effect on resistive random-access memory (ReRAM), the impact of surface roughness on the characteristics of ZnO ReRAM were studied. The thickness-independent resistance and the higher switching probability of ZnO ReRAM with rough surfaces indicate the importance of surface oxygen chemisorption on the switching process. Furthermore, the improvements in switching probability, switching voltage and resistance distribution observed for ReRAM with rough surfaces can be attributed to the stable oxygen adatoms under various ambience conditions. The findings validate the surface-controlled stability and uniformity of ReRAM and can serve as the guideline for developing practical device applications.

  10. Methanol Oxidation on Model Elemental and Bimetallic Transition Metal Surfaces

    DEFF Research Database (Denmark)

    Tritsaris, G. A.; Rossmeisl, J.

    2012-01-01

    Direct methanol fuel cells are a key enabling technology for clean energy conversion. Using density functional theory calculations, we study the methanol oxidation reaction on model electrodes. We discuss trends in reactivity for a set of monometallic and bimetallic transition metal surfaces, flat...... sites on the surface and to screen for novel bimetallic surfaces of enhanced activity. We suggest platinum copper surfaces as promising anode catalysts for direct methanol fuel cells....

  11. Photoelectron binding energy shifts observed during oxidation of group IIA, IIIA and IVA elemental surfaces

    International Nuclear Information System (INIS)

    Heide, P.A.W. van der

    2006-01-01

    An extensive re-evaluation of XPS binding energies (BE's) and binding energy shifts (ΔBE's) from metals, oxides and the carbonates of the group II, III and IVA elements (exceptions are Be, Mg and Hf) has been carried out using a substrate specific BE referencing approach. From this, O-1s BE's are found to fall into surface oxide, bulk oxide and carbonate groupings, with bulk oxides showing the lowest BE's followed by surface oxides (+∼1.5 eV) and then carbonates (+∼3.0 eV). The O-1s BE's from the bulk oxides also appear to scale with 1/d, where d is inter-atomic distance. The same is noted in the ΔBE's observed from the metallic counterparts during oxidation of the elemental surfaces. This, and the decreasing BE exhibited by Ca, Sr and Ba on oxidation is explained within the charge potential model as resulting from competing inter- and intra-atomic effects, and is shown to be consistent with partial covalency arguments utilizing Madulung potentials. The ΔBE's also fall into groups according to the elements location in the periodic table, i.e. s, p or d block. These trends open up the possibility of approximating ΔBE's arising from initial and final state effects, and bond distances

  12. Zircaloy cladding ID/OD oxidation studies. Final report

    International Nuclear Information System (INIS)

    Westerman, R.E.; Hesson, G.M.

    1977-11-01

    The ID/OD oxide ratio that forms on Zircaloy tubing at temperatures relevant to postulated LOCA conditions was measured as a function of time, temperature, and distance from the rupture. The average ratio at the rupture position was less than unity, and decreased with decreasing test time and increasing distance from the point of rupture. The maximum observed ID/OD oxide ratio was 1.4. Ratios in excess of unity were typically found to be a consequence of the OD oxide being thinner than would have been anticipated from the nominal test conditions. Confirmatory data were also obtained on the isothermal oxidation kinetics of Zircaloy. These data are in good agreement with those obtained by other investigators and confirm the conservative nature of the Baker-Just equation that is required for use in licensing calculations

  13. Mechanism and Thermochemistry of Coal Char Oxidation and Desorption of Surface Oxides

    DEFF Research Database (Denmark)

    Levi, Gianluca; Causà, Mauro; Lacovig, Paolo

    2017-01-01

    The present study investigates the coal char combustion by a combination of thermochemical and X-ray photoemission spectroscopy (XPS) analyses. Thermoanalytical methods (differential thermogravimetry, differential scanning calorimetry, and temperature-programmed desorption) are used to identify...... the key reactive steps that occur upon oxidation and heating of coal char (chemisorption, structural rearrangement and switchover of surface oxides, and desorption) and their energetics. XPS is used to reveal the chemical nature of the surface oxides that populate the char surface and to monitor...... functionalities prevail. The rearrangement of epoxy during preoxidation goes together with activation of the more stable and less reactive carbon sites. Results are in good agreement with semi-lumped kinetic models of carbon oxidation, which include (1) formation of "metastable" surface oxides, (2) complex...

  14. Surface Embedded Metal Oxide Sensors (SEMOS)

    DEFF Research Database (Denmark)

    Jespersen, Jesper Lebæk; Talat Ali, Syed; Pleth Nielsen, Lars

    SEMOS is a joint project between Aalborg University, Danish Technological Institute and Danish Technical University in which micro temperature sensors and metal oxide-based gas sensors are developed and tested in a simulated fuel cell environment as well as in actual working fuel cells. Initially......, sensors for measuring the temperatures in an operating HT-PEM (High Temperature-Proton Exchange Membrane) fuel cell are developed for detecting in-plane temperature variations. 5 different tracks for embedded thermal sensors are investigated. The fuel cell MEA (Membrane Electrode Assembly) is quite...... complex and sensors are not easily implemented in the construction. Hence sensor interface and sensor position must therefore be chosen carefully in order to make the sensors as non-intrusive as possible. Metal Oxide Sensors (MOX) for measuring H2, O2 and CO concentration in a fuel cell environment...

  15. Interaction of ammonia with semiconducting oxide surfaces

    Science.gov (United States)

    Nigam, Sandeep; Sahoo, Suman Kalyan; Majumder, Chiranjib

    2018-04-01

    Using density functional theory (DFT) we have investigated the adsorption of NH3 molecule on the rutile SnO2(110) and mixed Sn0.5Ti0.5O2(110) surfaces. NH3 molecule gets absorbed on the 5-coordinated Sn atom (Sn5c) of the surface in tilted mode having an additional hydrogen bond with nearby surface bridged oxygen (Obr) atom. After adsorption, 3a1 molecular orbital of ammonia undergo significant dispersal as it donates its electron to surface atoms. The adsorption energy is found to be 1.4-1.6eV. Inclusion of Ti atoms in the SnO2 lattice leads to decrease in the adsorption energy value.

  16. Surface-Controlled Metal Oxide Resistive Memory

    KAUST Repository

    Ke, Jr-Jian; Namura, Kyoko; Duran Retamal, Jose Ramon; Ho, Chin-Hsiang; Minamitake, Haruhiko; Wei, Tzu-Chiao; Tsai, Dung-Sheng; Lin, Chun-Ho; Suzuki, Motofumi; He, Jr-Hau

    2015-01-01

    be attributed to the stable oxygen adatoms under various ambience conditions. The findings validate the surface-controlled stability and uniformity of ReRAM and can serve as the guideline for developing practical device applications.

  17. Measuring Forces between Oxide Surfaces Using the Atomic Force Microscope

    DEFF Research Database (Denmark)

    Pedersen, Henrik Guldberg; Høj, Jakob Weiland

    1996-01-01

    The interactions between colloidal particles play a major role in processing of ceramics, especially in casting processes. With the Atomic Force Microscope (AFM) it is possible to measure the inter-action force between a small oxide particle (a few micron) and a surface as function of surface...

  18. Fractional surface termination of diamond by electrochemical oxidation.

    Science.gov (United States)

    Hoffmann, René; Obloh, Harald; Tokuda, Norio; Yang, Nianjun; Nebel, Christoph E

    2012-01-10

    The crystalline form of sp(3)-hybridized carbon, diamond, offers various electrolyte-stable surface terminations. The H-termination-selective attachment of nitrophenyl diazonium, imaged by AFM, shows that electrochemical oxidation can control the fractional hydrogen/oxygen surface termination of diamond on the nanometer scale. This is of particular interest for all applications relying on interfacial electrochemistry, especially for biointerfaces.

  19. Heterogeneous nucleation of calcium oxalate on native oxide surfaces

    International Nuclear Information System (INIS)

    Song, L.; Pattillo, M.J.; Graff, G.L.; Campbell, A.A.; Bunker, B.C.

    1994-04-01

    The aqueous deposition of calcium oxalate onto colloidal oxides has been studied as a model system for understanding heterogeneous nucleation processes of importance in biomimetic synthesis of ceramic thin films. Calcium oxalate nucleation has been monitored by measuring induction times for nucleation using Constant Composition techniques and by measuring nucleation densities on extended oxide surfaces using an atomic force microscope. Results show that the dependence of calcium oxalate nucleation on solution supersaturation fits the functional form predicted by classical nucleation theories. Anionic surfaces appear to promote nucleation better than cationic surfaces, lowering the effective energy barrier to heterogeneous nucleation

  20. Surface and Core Electronic Structure of Oxidized Silicon Nanocrystals

    Directory of Open Access Journals (Sweden)

    Noor A. Nama

    2010-01-01

    Full Text Available Ab initio restricted Hartree-Fock method within the framework of large unit cell formalism is used to simulate silicon nanocrystals between 216 and 1000 atoms (1.6–2.65 nm in diameter that include Bravais and primitive cell multiples. The investigated properties include core and oxidized surface properties. Results revealed that electronic properties converge to some limit as the size of the nanocrystal increases. Increasing the size of the core of a nanocrystal resulted in an increase of the energy gap, valence band width, and cohesive energy. The lattice constant of the core and oxidized surface parts shows a decreasing trend as the nanocrystal increases in a size that converges to 5.28 Ǻ in a good agreement with the experiment. Surface and core convergence to the same lattice constant reflects good adherence of oxide layer at the surface. The core density of states shows highly degenerate states that split at the oxygenated (001-(1×1 surface due to symmetry breaking. The nanocrystal surface shows smaller gap and higher valence and conduction bands when compared to the core part, due to oxygen surface atoms and reduced structural symmetry. The smaller surface energy gap shows that energy gap of the nanocrystal is controlled by the surface part. Unlike the core part, the surface part shows a descending energy gap that proves its obedience to quantum confinement effects. Nanocrystal geometry proved to have some influence on all electronic properties including the energy gap.

  1. Layer Dependence of Graphene for Oxidation Resistance of Cu Surface

    Institute of Scientific and Technical Information of China (English)

    Yu-qing Song; Xiao-ping Wang

    2017-01-01

    We studied the oxidation resistance of graphene-coated Cu surface and its layer dependence by directly growing monolayer graphene with different multilayer structures coexisted,diminishing the influence induced by residue and transfer technology.It is found that the Cu surface coated with the monolayer graphene demonstrate tremendous difference in oxidation pattern and oxidation rate,compared to that coated with the bilayer graphene,which is considered to be originated from the strain-induced linear oxidation channel in monolayer graphene and the intersection of easily-oxidized directions in each layer of bilayer graphene,respectively.We reveal that the defects on the graphene basal plane but not the boundaries are the main oxidation channel for Cu surface under graphene protection.Our finding indicates that compared to putting forth efforts to improve the quality of monolayer graphene by reducing defects,depositing multilayer graphene directly on metal is a simple and effective way to enhance the oxidation resistance of graphene-coated metals.

  2. Volcano Relations for Oxidation of Hydrogen Halides over Rutile Oxide Surfaces

    DEFF Research Database (Denmark)

    Toftelund, Anja; Man, Isabela C.; Hansen, Heine A.

    2012-01-01

    over a range of different rutile oxide surfaces. Based on the scaling relations, two descriptors are identified that describe the reactions uniquely. By combining scaling with the micro-kinetic model, activity volcanoes for the three different oxidation reactions are derived. It is found...

  3. Supercritical water oxidation data acquisition testing. Final report, Volume II

    International Nuclear Information System (INIS)

    1996-11-01

    Supercritical Water Oxidation (SCWO) technology holds great promise for treating mixed wastes, in an environmentally safe and efficient manner. In the spring of 1994 the US Department of Energy (DOE), Idaho Operations Office awarded Stone ampersand Webster Engineering Corporation, of Boston Massachusetts and its sub-contractor MODAR, Inc. of Natick Massachusetts a Supercritical Water Oxidation Data Acquisition Testing (SCWODAT) program. The SCWODAT program was contracted through a Cooperative Agreement that was co-funded by the US Department of Energy and the Strategic Environmental Research and Development Program. The SCWODAT testing scope outlined by the DOE in the original Cooperative Agreement and amendments thereto was initiated in June 1994 and successfully completed in December 1995. The SCWODAT program provided further information and operational data on the effectiveness of treating both simulated mixed waste and typical Navy hazardous waste using the MODAR SCWO technology

  4. Surface Structure of Aerobically Oxidized Diamond Nanocrystals

    Science.gov (United States)

    2014-10-27

    Diamond. Phys. Rev. Lett. 2000, 84, 5160−5163. (31) Ownby, P. D.; Yang, X.; Liu, J. Calculated X-Ray-Diffraction Data for Diamond Polytypes. J. Am. Ceram...Surfaces from Ab-Initio Calculations . Phys. Rev. B 1995, 51, 14669−14685. (39) Ferrari, A. C.; Robertson, J. Raman Spectroscopy of Amorphous, Nanostructured...Y.; Takami, S.; Kubo , M.; Belosludov, R. V.; Miyamoto, A.; Imamura, A.; Gamo, M. N.; Ando, T. First-Principle Study on Reactions of Diamond (100

  5. Surfaces and Interfaces of Magnetoelectric Oxide Systems

    Science.gov (United States)

    Cao, Shi

    Magnetoelectric materials Cr2O3, hexagonal LuFeO 3 and YbFeO3 are studied in this thesis. The surface of chromia (Cr2O3) has a surface electronic structure distinct from the bulk. Our work shows that placing a Cr2O3 single crystal into a single domain state will result in net Cr2O 3 spin polarization at the boundary, even in the presence of a gold overlayer. From the Cr 2p3/2 X-ray magnetic circular dichroism signal, there is clear evidence of interface polarization with overlayers of both Pd and Pt on chromia. Cobalt thin films on Cr2O3(0001) show larger magnetic contrast in magnetic force microscopy indicating enhancement of perpendicular anisotropy induced by Cr2O3. The interfacial charge transfer between mechanically exfoliated few-layer graphene and Cr2O3(0001) surfaces has been investigated showing hole doping of few-layer graphene. Density functional theory calculations furthermore confirm the p-type nature of the graphene on top of chromia, and suggest that the chromia is able to induce a significant carrier spin polarization in the graphene layer. The surface termination and the nominal valence states for hexagonal LuFeO3 thin films were characterized. The stable surface terminates in a Fe-O layer. This is consistent wit the results of density functional calculations. The structural transition at about 1000 °C, from the hexagonal to the orthorhombic phase of LuFeO3, has been investigated in thin films of LuFeO3. The electronic structure for the conduction bands of both hexagonal and orthorhombic LuFeO3 thin films have been measured. Dramatic differences in both the spectral features and the linear dichroism are observed. We have also studied the ferrimagnetism in h-YbFeO3 by measuring the magnetization of Fe and Yb separately. The results directly show antialignment of magnetization of Yb and Fe ions in h-YbFeO3 at low temperature, with an exchange field on Yb of about 17 kOe. All ferrimagnets, by default, are magnetoelectrics. These findings directly

  6. Evidence concerning oxidation as a surface reaction in Baltic amber

    DEFF Research Database (Denmark)

    Shashoua, Yvonne

    2012-01-01

    , obtained from pressed amber powder, were subjected to accelerated thermal ageing. Cross-sections of the pellets were analyzed by infrared micro-spectroscopy, in order to identify and quantify changes in chemical properties. The experimental results showed strong oxidation exclusively at the exterior part...... of cross-sections from samples subjected to long-term thermal ageing, confirming that oxidation of Baltic amber starts from the surface....

  7. Novel exchange mechanisms in the surface diffusion of oxides

    International Nuclear Information System (INIS)

    Harris, Duncan J; Lavrentiev, Mikhail Yu; Harding, John H; Allan, Neil L; Purton, John A

    2004-01-01

    We use temperature-accelerated dynamics to show the importance of exchange mechanisms in surface diffusion and growth of simple oxides. Such mechanisms can dominate transport processes both on terraces and steps for both homoepitaxial and heteroepitaxial growth. We suggest that the mixing inevitable when an exchange mechanism is present must be considered when attempts are made to grow sharp interfaces in oxide nanostructures. (letter to the editor)

  8. Effect of process parameters on surface oxides on chromium-alloyed steel powder during sintering

    International Nuclear Information System (INIS)

    Chasoglou, D.; Hryha, E.; Nyborg, L.

    2013-01-01

    The use of chromium in the PM steel industry today puts high demands on the choice and control of the atmosphere during the sintering process due to its high affinity to oxygen. Particular attention is required in order to control the surface chemistry of the powder which in turn is the key factor for the successful sintering and production of PM parts. Different atmosphere compositions, heating rates and green densities were employed while performing sintering trials on water atomized steel powder pre-alloyed with 3 wt.% Cr in order to evaluate the effect on surface chemical reactions. Fracture surfaces of sintered samples were examined using high resolution scanning electron microscopy combined with X-ray microanalysis. The investigation was complemented with thermogravimetric (TG) studies. Reaction products in particulate form containing strong-oxide forming elements such as Cr, Si and Mn were formed during sintering for all conditions. Processing in vacuum results in intensive inter-particle neck development during the heating stage and consequently in the excessive enclosure of surface oxide which is reflected in less good final mechanical properties. Enhanced oxide reduction was observed in samples processed in hydrogen-containing atmospheres independent of the actual content in the range of 3–10 vol.%. An optimum heating rate was required for balancing reduction/oxidation processes. A simple model for the enclosure and growth of oxide inclusions during the sinter-neck development is proposed. The obtained results show that significant reduction of the oxygen content can be achieved by adjusting the atmosphere purity/composition. - Highlights: ► A local atmosphere microclimate is very important for sintering of PM steels. ► High risk of surface oxide enclosure between 800 and 1000 °C. ► Coalescence and agglomeration of enclosed oxides take place during sintering. ► The effect of different process parameters on the oxide reduction is examined. ► A

  9. Facile preparation of superhydrophobic surfaces based on metal oxide nanoparticles

    Science.gov (United States)

    Bao, Xue-Mei; Cui, Jin-Feng; Sun, Han-Xue; Liang, Wei-Dong; Zhu, Zhao-Qi; An, Jin; Yang, Bao-Ping; La, Pei-Qing; Li, An

    2014-06-01

    A novel method for fabrication of superhydrophobic surfaces was developed by facile coating various metal oxide nanoparticles, including ZnO, Al2O3 and Fe3O4, on various substrates followed by treatment with polydimethylsiloxane (PDMS) via chemical vapor deposition (CVD) method. Using ZnO nanoparticles as a model, the changes in the surface chemical composition and crystalline structures of the metal oxide nanoparticles by PDMS treatment were investigated by X-ray photoelectron spectroscopy (XPS), X-ray powder diffraction (XRD) and Fourier transform infrared (FTIR) analysis. The results show that the combination of the improved surface roughness generated from of the nanoparticles aggregation with the low surface-energy of silicon-coating originated from the thermal pyrolysis of PDMS would be responsible for the surface superhydrophobicity. By a simple dip-coating method, we show that the metal oxide nanoparticles can be easily coated onto the surfaces of various textural and dimensional substrates, including glass slide, paper, fabric or sponge, for preparation of superhydrophobic surfaces for different purpose. The present strategy may provide an inexpensive and new route to surperhydrophobic surfaces, which would be of technological significance for various practical applications especially for separation of oils or organic contaminates from water.

  10. Facile preparation of superhydrophobic surfaces based on metal oxide nanoparticles

    International Nuclear Information System (INIS)

    Bao, Xue-Mei; Cui, Jin-Feng; Sun, Han-Xue; Liang, Wei-Dong; Zhu, Zhao-Qi; An, Jin; Yang, Bao-Ping; La, Pei-Qing; Li, An

    2014-01-01

    A novel method for fabrication of superhydrophobic surfaces was developed by facile coating various metal oxide nanoparticles, including ZnO, Al 2 O 3 and Fe 3 O 4 , on various substrates followed by treatment with polydimethylsiloxane (PDMS) via chemical vapor deposition (CVD) method. Using ZnO nanoparticles as a model, the changes in the surface chemical composition and crystalline structures of the metal oxide nanoparticles by PDMS treatment were investigated by X-ray photoelectron spectroscopy (XPS), X-ray powder diffraction (XRD) and Fourier transform infrared (FTIR) analysis. The results show that the combination of the improved surface roughness generated from of the nanoparticles aggregation with the low surface-energy of silicon-coating originated from the thermal pyrolysis of PDMS would be responsible for the surface superhydrophobicity. By a simple dip-coating method, we show that the metal oxide nanoparticles can be easily coated onto the surfaces of various textural and dimensional substrates, including glass slide, paper, fabric or sponge, for preparation of superhydrophobic surfaces for different purpose. The present strategy may provide an inexpensive and new route to surperhydrophobic surfaces, which would be of technological significance for various practical applications especially for separation of oils or organic contaminates from water.

  11. Facile preparation of superhydrophobic surfaces based on metal oxide nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Bao, Xue-Mei; Cui, Jin-Feng; Sun, Han-Xue; Liang, Wei-Dong; Zhu, Zhao-Qi; An, Jin; Yang, Bao-Ping; La, Pei-Qing; Li, An, E-mail: lian2010@lut.cn

    2014-06-01

    A novel method for fabrication of superhydrophobic surfaces was developed by facile coating various metal oxide nanoparticles, including ZnO, Al{sub 2}O{sub 3} and Fe{sub 3}O{sub 4}, on various substrates followed by treatment with polydimethylsiloxane (PDMS) via chemical vapor deposition (CVD) method. Using ZnO nanoparticles as a model, the changes in the surface chemical composition and crystalline structures of the metal oxide nanoparticles by PDMS treatment were investigated by X-ray photoelectron spectroscopy (XPS), X-ray powder diffraction (XRD) and Fourier transform infrared (FTIR) analysis. The results show that the combination of the improved surface roughness generated from of the nanoparticles aggregation with the low surface-energy of silicon-coating originated from the thermal pyrolysis of PDMS would be responsible for the surface superhydrophobicity. By a simple dip-coating method, we show that the metal oxide nanoparticles can be easily coated onto the surfaces of various textural and dimensional substrates, including glass slide, paper, fabric or sponge, for preparation of superhydrophobic surfaces for different purpose. The present strategy may provide an inexpensive and new route to surperhydrophobic surfaces, which would be of technological significance for various practical applications especially for separation of oils or organic contaminates from water.

  12. Surface Passivation of CIGS Solar Cells Using Gallium Oxide

    KAUST Repository

    Garud, Siddhartha

    2018-02-27

    This work proposes gallium oxide grown by plasma-enhanced atomic layer deposition, as a surface passivation material at the CdS buffer interface of Cu(In,Ga)Se2 (CIGS) solar cells. In preliminary experiments, a metal-insulator-semiconductor (MIS) structure is used to compare aluminium oxide, gallium oxide, and hafnium oxide as passivation layers at the CIGS-CdS interface. The findings suggest that gallium oxide on CIGS may show a density of positive charges and qualitatively, the least interface trap density. Subsequent solar cell results with an estimated 0.5 nm passivation layer show an substantial absolute improvement of 56 mV in open-circuit voltage (VOC), 1 mA cm−2 in short-circuit current density (JSC), and 2.6% in overall efficiency as compared to a reference (with the reference showing 8.5% under AM 1.5G).

  13. Mechanical tearing of graphene on an oxidizing metal surface

    International Nuclear Information System (INIS)

    George, Lijin; Gupta, Aparna; Shaina, P R; Jaiswal, Manu; Gupta, Nandita Das

    2015-01-01

    Graphene, the thinnest possible anticorrosion and gas-permeation barrier, is poised to transform the protective coatings industry for a variety of surface applications. In this work, we have studied the structural changes of graphene when the underlying copper surface undergoes oxidation upon heating. Single-layer graphene directly grown on a copper surface by chemical vapour deposition was annealed under ambient atmosphere conditions up to 400 °C. The onset temperature of the surface oxidation of copper is found to be higher for graphene-coated foils. Parallel arrays of graphene nanoripples are a ubiquitous feature of pristine graphene on copper, and we demonstrate that these form crucial sites for the onset of the oxidation of copper, particularly for ∼0.3–0.4 μm ripple widths. In these regions, the oxidation proceeds along the length of the nanoripples, resulting in the formation of parallel stripes of oxidized copper regions. We demonstrate from temperature-dependent Raman spectroscopy that the primary defect formation process in graphene involves boundary-type defects rather than vacancy or sp"3-type defects. This observation is consistent with a mechanical tearing process that splits graphene into small polycrystalline domains. The size of these is estimated to be sub-50 nm. (paper)

  14. Mechanical tearing of graphene on an oxidizing metal surface.

    Science.gov (United States)

    George, Lijin; Gupta, Aparna; Shaina, P R; Das Gupta, Nandita; Jaiswal, Manu

    2015-12-11

    Graphene, the thinnest possible anticorrosion and gas-permeation barrier, is poised to transform the protective coatings industry for a variety of surface applications. In this work, we have studied the structural changes of graphene when the underlying copper surface undergoes oxidation upon heating. Single-layer graphene directly grown on a copper surface by chemical vapour deposition was annealed under ambient atmosphere conditions up to 400 °C. The onset temperature of the surface oxidation of copper is found to be higher for graphene-coated foils. Parallel arrays of graphene nanoripples are a ubiquitous feature of pristine graphene on copper, and we demonstrate that these form crucial sites for the onset of the oxidation of copper, particularly for ∼0.3-0.4 μm ripple widths. In these regions, the oxidation proceeds along the length of the nanoripples, resulting in the formation of parallel stripes of oxidized copper regions. We demonstrate from temperature-dependent Raman spectroscopy that the primary defect formation process in graphene involves boundary-type defects rather than vacancy or sp(3)-type defects. This observation is consistent with a mechanical tearing process that splits graphene into small polycrystalline domains. The size of these is estimated to be sub-50 nm.

  15. Surface and sub-surface thermal oxidation of ruthenium thin films

    NARCIS (Netherlands)

    Coloma Ribera, R.; van de Kruijs, Robbert Wilhelmus Elisabeth; Zoethout, E.; Yakshin, Andrey; Bijkerk, Frederik

    2014-01-01

    For next generation Extreme UV photolithography, multilayer coatings may require protective capping layers against surface contamination. Ruthenium, as a low-oxidation metal, is often used as a reference material. The oxidation behaviour of Ru thin films has been studied using X-ray reflectometry

  16. Investigation of the Si(111) surface in uhv: oxidation and the effect of surface phosphorus

    International Nuclear Information System (INIS)

    Tom, H.W.K.; Zhu, X.D.; Shen, Y.R.; Somorjai, G.A.

    1984-06-01

    We have studied the initial stages of oxidation, the segregation of phosphorus, and the effect of phosphorus on oxidation of the Si(111) 7 x 7 surface using optical second-harmonic generation. We have also observed a (√3 x √3)R30 0 LEED pattern for P on Si

  17. Photoinduced hydrophobic surface of graphene oxide thin films

    International Nuclear Information System (INIS)

    Zhang Xiaoyan; Song Peng; Cui Xiaoli

    2012-01-01

    Graphene oxide (GO) thin films were deposited on transparent conducting oxide substrates and glass slides by spin coating method at room temperature. The wettability of GO thin films before and after ultraviolet (UV) irradiation was characterized with water contact angles, which increased from 27.3° to 57.6° after 3 h of irradiation, indicating a photo-induced hydrophobic surface. The UV–vis absorption spectra, Raman spectroscopy, X-ray photoelectron spectroscopy, and conductivity measurements of GO films before and after UV irradiation were taken to study the mechanism of photoinduced hydrophobic surface of GO thin films. It is demonstrated that the photoinduced hydrophobic surface is ascribed to the elimination of oxygen-containing functional groups on GO molecules. This work provides a simple strategy to control the wettability properties of GO thin films by UV irradiation. - Highlights: ► Photoinduced hydrophobic surface of graphene oxide thin films has been demonstrated. ► Elimination of oxygen-containing functional groups in graphene oxide achieved by UV irradiation. ► We provide novel strategy to control surface wettability of GO thin films by UV irradiation.

  18. Non-activated high surface area expanded graphite oxide for supercapacitors

    Energy Technology Data Exchange (ETDEWEB)

    Vermisoglou, E.C.; Giannakopoulou, T.; Romanos, G.E.; Boukos, N.; Giannouri, M. [Institute of Nanoscience and Nanotechnology “Demokritos”, 153 43 Ag. Paraskevi, Attikis (Greece); Lei, C.; Lekakou, C. [Division of Mechanical, Medical, and Aerospace Engineering, Faculty of Engineering and Physical Sciences, University of Surrey, Guildford GU2 7XH (United Kingdom); Trapalis, C., E-mail: c.trapalis@inn.demokritos.gr [Institute of Nanoscience and Nanotechnology “Demokritos”, 153 43 Ag. Paraskevi, Attikis (Greece)

    2015-12-15

    Graphical abstract: - Highlights: • One-step exfoliation and reduction of graphite oxide via microwave irradiation. • Effect of pristine graphite (type, flake size) on the microwave expanded material. • Effect of pretreatment and oxidation cycles on the produced expanded material. • Expanded graphene materials with high BET surface areas (940 m{sup 2}/g–2490 m{sup 2}/g). • Non-activated graphene based materials suitable for supercapacitors. - Abstract: Microwave irradiation of graphite oxide constitutes a facile route toward production of reduced graphene oxide, since during this treatment both exfoliation and reduction of graphite oxide occurs. In this work, the effect of pristine graphite (type, size of flakes), pretreatment and oxidation cycles on the finally produced expanded material was examined. All the types of graphite that were tested afforded materials with high BET surface areas ranging from 940 m{sup 2}/g to 2490 m{sup 2}/g, without intervening an activation stage at elevated temperature. SEM and TEM images displayed exfoliated structures, where the flakes were significantly detached and curved. The quality of the reduced graphene oxide sheets was evidenced both by X-ray photoelectron spectroscopy and Raman spectroscopy. The electrode material capacitance was determined via electrochemical impedance spectroscopy and cyclic voltammetry. The materials with PEDOT binder had better performance (∼97 F/g) at low operation rates while those with PVDF binder performed better (∼20 F/g) at higher rates, opening up perspectives for their application in supercapacitors.

  19. Interactions of Graphene Oxide Nanomaterials with Natural Organic Matter and Metal Oxide Surfaces

    Science.gov (United States)

    Interactions of graphene oxide (GO) with silica surfaces were investigated using a quartz crystal microbalance with dissipation monitoring (QCM-D). Both GO deposition and release were monitored on silica- and poly-l-lysine (PLL) coated surfaces as a function of GO concentration a...

  20. Integrated Science Assessment (ISA) for Sulfur Oxides – Health Criteria (Final Report, Sep 2008)

    Science.gov (United States)

    EPA announced the availability of the final report, Integrated Science Assessment (ISA) for Sulfur Oxides – Health Criteria final assessment. This report represents a concise synthesis and evaluation of the most policy-relevant science and will ultimately provide the scien...

  1. The early stages of oxidation of magnesium single crystal surfaces

    International Nuclear Information System (INIS)

    Hayden, B.E.; Schweizer, E.; Koetz, R.; Bradshaw, A.M.

    1981-01-01

    The early stages of oxidation of Mg(001) and Mg(100) single crystal surfaces at 300 K have been investigated by LEED, ELS, work function and ellipsometric measurements. A sharp decrease in work function on both surfaces during the first 12 L exposure indicates the incorporation of oxygen in the earliest stages of the interaction. The incorporated oxygen on Mg(001) gives rise to a broadening of the integral order LEED spots for an exposure 3 L. (orig.)

  2. Surface functionalization of dopamine coated iron oxide nanoparticles for various surface functionalities

    Energy Technology Data Exchange (ETDEWEB)

    Sherwood, Jennifer; Xu, Yaolin; Lovas, Kira [Chemical and Biological Engineering, The University of Alabama, Tuscaloosa , AL 35487 (United States); Qin, Ying [Alabama Innovation and Mentoring of Entrepreneurs, The University of Alabama, Tuscaloosa, AL 35487 (United States); Bao, Yuping, E-mail: ybao@eng.ua.edu [Chemical and Biological Engineering, The University of Alabama, Tuscaloosa , AL 35487 (United States)

    2017-04-01

    We present effective conjugation of four small molecules (glutathione, cysteine, lysine, and Tris(hydroxymethyl)aminomethane) onto dopamine-coated iron oxide nanoparticles. Conjugation of these molecules could improve the surface functionality of nanoparticles for more neutral surface charge at physiological pH and potentially reduce non-specific adsorption of proteins to nanoparticles surfaces. The success of conjugation was evaluated with dynamic light scattering by measuring the surface charge changes and Fourier transform infrared spectroscopy for surface chemistry analysis. The stability of dopamine-coated nanoparticles and the ability of conjugated nanoparticles to reduce the formation of protein corona were evaluated by measuring the size and charge of the nanoparticles in biological medium. This facile conjugation method opens up possibilities for attaching various surface functionalities onto iron oxide nanoparticle surfaces for biomedical applications.

  3. Surface functionalization of dopamine coated iron oxide nanoparticles for various surface functionalities

    International Nuclear Information System (INIS)

    Sherwood, Jennifer; Xu, Yaolin; Lovas, Kira; Qin, Ying; Bao, Yuping

    2017-01-01

    We present effective conjugation of four small molecules (glutathione, cysteine, lysine, and Tris(hydroxymethyl)aminomethane) onto dopamine-coated iron oxide nanoparticles. Conjugation of these molecules could improve the surface functionality of nanoparticles for more neutral surface charge at physiological pH and potentially reduce non-specific adsorption of proteins to nanoparticles surfaces. The success of conjugation was evaluated with dynamic light scattering by measuring the surface charge changes and Fourier transform infrared spectroscopy for surface chemistry analysis. The stability of dopamine-coated nanoparticles and the ability of conjugated nanoparticles to reduce the formation of protein corona were evaluated by measuring the size and charge of the nanoparticles in biological medium. This facile conjugation method opens up possibilities for attaching various surface functionalities onto iron oxide nanoparticle surfaces for biomedical applications.

  4. Deposition of heated whey proteins on a chromium oxide surface.

    NARCIS (Netherlands)

    Jeurnink, Th.; Verheul, M.; Cohen Stuart, M.A.; Kruif, de C.G.

    1996-01-01

    Whey protein solutions were given different heat treatments after which their deposition on a chromium oxide surface (the outer layer of stainless steel) was measured by reflectometry. The deposition was studied under controlled flow conditions by using a stagnation point flow configuration. The

  5. Mechanical Properties of Glass Surfaces Coated with Tin Oxide

    DEFF Research Database (Denmark)

    Swindlehurst, W. E.; Cantor, B.

    1978-01-01

    The effect of tin oxide coatings on the coefficient of friction and fracture strength of glass surfaces is studied. Experiments were performed partly on commercially treated glass bottles and partly on laboratory prepared microscope slides. Coatings were applied in the laboratory by decomposition...

  6. Ceramic coated Y1 magnesium alloy surfaces by microarc oxidation

    Indian Academy of Sciences (India)

    The magnesium alloys occupy an important place in marine applications, but their poor corrosion resistance, wear resistance, hardness and so on, have limited their application. To meet these defects, some techniques are developed. Microarc oxidation is a one such recently developed surface treatment technology under ...

  7. Final report on the oxidation of energetic materials in supercritical water. Final Air Force report

    Energy Technology Data Exchange (ETDEWEB)

    Buelow, S.J.; Allen, D.; Anderson, G.K. [and others

    1995-04-03

    The objective of this project was to determine the suitability of oxidation in supercritical fluids (SCO), particularly water (SCWO), for disposal of propellants, explosives, and pyrotechnics (PEPs). The SCO studies of PEPs addressed the following issues: The efficiency of destruction of the substrate. The products of destruction contained in the effluents. Whether the process can be conducted safely on a large scale. Whether energy recovery from the process is economically practicable. The information essential for process development and equipment design was also investigated, including issues such as practical throughput of explosives through a SCWO reactor, reactor materials and corrosion, and models for process design and optimization.

  8. Indium tin oxide surface smoothing by gas cluster ion beam

    CERN Document Server

    Song, J H; Choi, W K

    2002-01-01

    CO sub 2 cluster ions are irradiated at the acceleration voltage of 25 kV to remove hillocks on indium tin oxide (ITO) surfaces and thus to attain highly smooth surfaces. CO sub 2 monomer ions are also bombarded on the ITO surfaces at the same acceleration voltage to compare sputtering phenomena. From the atomic force microscope results, the irradiation of monomer ions makes the hillocks sharper and the surfaces rougher from 1.31 to 1.6 nm in roughness. On the other hand, the irradiation of CO sub 2 cluster ions reduces the height of hillocks and planarize the ITO surfaces as smooth as 0.92 nm in roughness. This discrepancy could be explained by large lateral sputtering yield of the cluster ions and re-deposition of sputtered particles by the impact of the cluster ions on surfaces.

  9. Oxidation of clean silicon surfaces studied by four-point probe surface conductance measurements

    DEFF Research Database (Denmark)

    Petersen, Christian Leth; Grey, Francois; Aono, M.

    1997-01-01

    We have investigated how the conductance of Si(100)-(2 x 1) and Si(111)-(7 x 7) surfaces change during exposure to molecular oxygen. A monotonic decrease in conductance is seen as the (100) surfaces oxidizes. In contract to a prior study, we propose that this change is caused by a decrease in sur...

  10. Effect of SUS316L stainless steel surface conditions on the wetting of molten multi-component oxides ceramic

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Jin, E-mail: wangjinustb@gmail.com [Graduate School of Life Science and Systems Engineering, Kyushu Institute of Technology, Fukuoka, 808-0196 (Japan); Matsuda, Nozomu [Bar and Wire Product Unit, Nippon steel and Sumitomo Metal Corporation, Fukuoka, 802-8686 (Japan); Shinozaki, Nobuya [Graduate School of Life Science and Systems Engineering, Kyushu Institute of Technology, Fukuoka, 808-0196 (Japan); Miyoshi, Noriko [The Center for Instrumental Analysis, Kyushu Institute of Technology, Fukuoka, 804-8550 (Japan); Shiraishi, Takanobu [Graduate School of Biomedical Sciences, Nagasaki University, Nagasaki, 852-8588 (Japan)

    2015-02-01

    Highlights: • Multi-component oxides had a good wetting on stainless substrates with pretreatments. • Various substrates surface roughness caused the difference of final contact angles. • The wetting rate was slow on polished substrate due to the slow surface oxidation. - Abstract: A study on the effect of SUS316L stainless steel surface conditions on the wetting behavior of molten multi-component oxides ceramic was performed and aimed to contribute to the further understanding of the application of oxides ceramic in penetration treatment of stainless steel coatings and the deposition of stainless steel cermet coatings. The results show that at 1273 K, different surface pre-treatments (polishing and heating) had an important effect on the wetting behavior. The molten multi-component oxides showed good wettability on both stainless steel substrates, however, the wetting process on the polished substrate was significantly slower than that on the heated substrates. The mechanism of the interfacial reactions was discussed based on the microscopic and thermodynamic analysis, the substrates reacted with oxygen generated from the decomposition of the molten multi-component oxides and oxygen contained in the argon atmosphere, and the oxide film caused the molten multi-component oxides ceramic to spread on the substrates surfaces. For the polished substrate, more time was required for the surface oxidation to reach the surface composition of Heated-S, which resulted in relatively slow spreading and wetting rates. Moreover, the variance of the surface roughness drove the final contact angles to slightly different values following the sequence Polished-S > Heated-S.

  11. Micro solid oxide fuel cell on the chip. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Stutz, M.; Hotz, N.; Bieri, N.; Poulikakos, D.

    2006-07-01

    The aim of this project is the numerical and experimental investigation of hydrocarbon-to-syngas reforming in micro reformers for incorporation into an entire micro fuel cell system. Numerical simulations are used to achieve deeper understanding of several determining aspects in such a micro reformer. These insights are used to optimize the reforming performance by proper choice of operational and geometrical parameters of a reformer. These numerical results are continued by comprehensive experimental studies. In the first chapter, the effect of wall conduction of a tubular methane micro reformer is investigated numerically. Methane is used as the representative hydrocarbon because its detailed surface reaction mechanism is known. It is found that the axial wall conduction can strongly influence the performance of the microreactor and should not be neglected without a careful a priori investigation of its impact. In the second chapter, the effect of the catalyst amount and reactor geometry on the reforming process was investigated. It was found that the hydrogen selectivity changes significantly with varying catalyst loading. Thus, the reaction path leading to higher hydrogen production becomes more important by increasing the catalyst surface site density on the active surface. Another unexpected result is the presence of optimum channel geometry and optimum catalyst amount. In the third chapter of this project, the capability of flame-made Rh/Ce{sub 0.5}Zr{sub 0.5}O{sub 2} nanoparticles catalyzing the reforming of butane to H{sub 2}- and CO-rich syngas was investigated experimentally in a packed bed reactor. The main goal of this study was the efficient reforming of butane at temperatures between 500 and 600 {sup o}C for a micro intermediate-temperature SOFC system. Our results showed that Rh/Ce{sub 0.5}Zr{sub 0.5}O{sub 2} nanoparticles proved to be a very promising material for butane-to-syngas reforming with complete butane conversion and a hydrogen yield of 77

  12. Direct Partial Oxidations Using Molecular Oxygen - Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Kemp, Richard [Univ. of New Mexico, Albuquerque, NM (United States)

    2017-11-01

    In 2006, Richard A. Kemp (University of New Mexico) and Karen I. Goldberg (University of Washington) formed a team and began to investigate new strategies to accomplish direct selective aerobic oxidations, with a particular emphasis on the epoxidation of propylene and higher olefins. This DOE-BES funded project was renewed twice and concluded after a no-cost extension earlier this year. Multiple novel strategies involving homogeneous catalyst systems were initiated and investigated during the award. Important fundamental understanding and insight concerning requirements for promotion of aerobic olefin epoxidation was generated. During the tenure of this project, new knowledge was generated concerning the synthesis, characterization and aerobic reactivity of metal hydrides and hydroxides. Key results describing synthetic strategies and optimization of the preparation of mononuclear late metal hydrides were published. The team reported the first example of O2 insertion into a Pd-H bond, a reaction which had been proposed in the literature but never previously observed. Our experimental investigation of the mechanism was later followed by computational work, and a description of what is now referred to as the Hydrogen Atom Abstraction (HAA) pathway for this reaction has been widely accepted in the community. After investigation of many other late metal hydrides, both experimentally and computationally, the team put together a chapter that included a description of key contributing factors that allow reaction by the HAA mechanism. A brief sampling of other classic papers from our project include hydrogenolysis reactions of late metal hydroxide and alkoxide complexes, the synthesis of nickel-hydrides, and the involvement of hemilabile ligands in promoting new reaction pathways.

  13. Positron annihilation induced Auger electron spectroscopic studies of oxide surfaces

    Science.gov (United States)

    Nadesalingam, Manori

    2005-03-01

    Defects on oxide surfaces are well known to play a key role in catalysis. TiO2, MgO, SiO2 surfaces were investigated using Time-Of-Flight Positron induced Auger Electron Spectroscopy (TOF-PAES). Previous work in bulk materials has demonstrated that positrons are particularly sensitive to charged defects. In PAES energetic electron emission results from Auger transitions initiated by annihilation of core electrons with positrons trapped in an image-potential well at the surface. Annealed samples in O2 environment show a strong Auger peak of Oxygen. The implication of these results will be discussed

  14. Oxidation-reduction induced roughening of platinum (111) surface

    International Nuclear Information System (INIS)

    You, H.; Nagy, Z.

    1993-06-01

    Platinum (111) single crystal surface was roughened by repeated cycles of oxidation and reduction to study dynamic evolution of surface roughening. The interface roughens progressively upon repeated cycles. The measured width of the interface was fit to an assumed pow law, W ∼t β , with β = 0.38(1). The results are compared with a simulation based on a random growth model. The fraction of the singly stepped surface apparently saturates to 0. 25 monolayer, which explains the apparent saturation to a steady roughness observed in previous studies

  15. Atomic force microscopy-based repeated machining theory for nanochannels on silicon oxide surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Z.Q., E-mail: wangzhiqian@sia.cn [State Key Laboratory of Robotics, Shenyang Institute of Automation, CAS, Shenyang 110016 (China); Graduate University of the Chinese Academy of Sciences, Beijing 100049 (China); Jiao, N.D. [State Key Laboratory of Robotics, Shenyang Institute of Automation, CAS, Shenyang 110016 (China); Tung, S. [Department of Mechanical Engineering, University of Arkansas, Fayetteville, AR 72701 (United States); Dong, Z.L. [State Key Laboratory of Robotics, Shenyang Institute of Automation, CAS, Shenyang 110016 (China)

    2011-02-01

    The atomic force microscopy (AFM)-based repeated nanomachining of nanochannels on silicon oxide surfaces is investigated both theoretically and experimentally. The relationships of the initial nanochannel depth vs. final nanochannel depth at a normal force are systematically studied. Using the derived theory and simulation results, the final nanochannel depth can be predicted easily. Meanwhile, if a nanochannel with an expected depth needs to be machined, a right normal force can be selected simply and easily in order to decrease the wear of the AFM tip. The theoretical analysis and simulation results can be effectively used for AFM-based fabrication of nanochannels.

  16. Surface Inspection Machine Infrared (SIMIR). Final CRADA report

    Energy Technology Data Exchange (ETDEWEB)

    Powell, G.L. [Lockheed Martin Energy Systems, Inc., Oak Ridge, TN (United States); Neu, J.T.; Beecroft, M. [Surface Optics Corp., San Diego, CA (United States)

    1997-02-28

    This Cooperative Research and Development Agreement was a one year effort to make the surface inspection machine based on diffuse reflectance infrared spectroscopy (Surface Inspection Machine-Infrared, SIMIR), being developed by Surface Optics Corporation, perform to its highest potential as a practical, portable surface inspection machine. The design function of the SIMIR is to inspect metal surfaces for cleanliness (stains). The system is also capable of evaluating graphite-resin systems for cure and heat damage, and for measuring the effects of moisture exposure on lithium hydride, corrosion on uranium metal, and the constituents of and contamination on wood, paper, and fabrics. Over the period of the CRADA, extensive experience with the use of the SIMIR for surface cleanliness measurements have been achieved through collaborations with NASA and the Army. The SIMIR was made available to the AMTEX CRADA for Finish on Yarn where it made a very significant contribution. The SIMIR was the foundation of a Forest Products CRADA that was developed over the time interval of this CRADA. Surface Optics Corporation and the SIMIR have been introduced to the chemical spectroscopy on-line analysis market and have made staffing additions and arrangements for international marketing of the SIMIR as an on-line surface inspection device. LMES has been introduced to a wide range of aerospace applications, the research and fabrication skills of Surface Optics Corporation, has gained extensive experience in the areas of surface cleanliness from collaborations with NASA and the Army, and an extensive introduction to the textile and forest products industries. The SIMIR, marketed as the SOC-400, has filled an important new technology need in the DOE-DP Enhanced Surveillance Program with instruments delivered to or on order by LMES, LANL, LLNL, and Pantex, where extensive collaborations are underway to implement and improve this technology.

  17. Surface Inspection Machine Infrared (SIMIR). Final CRADA report

    International Nuclear Information System (INIS)

    Powell, G.L.; Neu, J.T.; Beecroft, M.

    1997-01-01

    This Cooperative Research and Development Agreement was a one year effort to make the surface inspection machine based on diffuse reflectance infrared spectroscopy (Surface Inspection Machine-Infrared, SIMIR), being developed by Surface Optics Corporation, perform to its highest potential as a practical, portable surface inspection machine. The design function of the SIMIR is to inspect metal surfaces for cleanliness (stains). The system is also capable of evaluating graphite-resin systems for cure and heat damage, and for measuring the effects of moisture exposure on lithium hydride, corrosion on uranium metal, and the constituents of and contamination on wood, paper, and fabrics. Over the period of the CRADA, extensive experience with the use of the SIMIR for surface cleanliness measurements have been achieved through collaborations with NASA and the Army. The SIMIR was made available to the AMTEX CRADA for Finish on Yarn where it made a very significant contribution. The SIMIR was the foundation of a Forest Products CRADA that was developed over the time interval of this CRADA. Surface Optics Corporation and the SIMIR have been introduced to the chemical spectroscopy on-line analysis market and have made staffing additions and arrangements for international marketing of the SIMIR as an on-line surface inspection device. LMES has been introduced to a wide range of aerospace applications, the research and fabrication skills of Surface Optics Corporation, has gained extensive experience in the areas of surface cleanliness from collaborations with NASA and the Army, and an extensive introduction to the textile and forest products industries. The SIMIR, marketed as the SOC-400, has filled an important new technology need in the DOE-DP Enhanced Surveillance Program with instruments delivered to or on order by LMES, LANL, LLNL, and Pantex, where extensive collaborations are underway to implement and improve this technology

  18. DFT study of cyanide oxidation on surface of Ge-embedded carbon nanotube

    Science.gov (United States)

    Gao, Wei; Milad Abrishamifar, Seyyed; Ebrahimzadeh Rajaei, Gholamreza; Razavi, Razieh; Najafi, Meysam

    2018-03-01

    In recent years, the discovery of suitable catalyst to oxidation of the cyanide (CN) has high importance in the industry. In present study, in the first step, the carbon nanotube (CNT) with the Ge atom embedded and the surface of Ge-CNT via the O2 molecule activated. In second step, the oxidation of CN on surface of the Ge-CNT via the Langmuir Hinshelwood (LH) and the Eley Rideal (ER) mechanisms was investigated. Results show that O2-Ge-CNT oxidized the CN molecule via the Ge-CNT-O-O∗ + CN → Ge-CNT-O-O∗-CN → Ge-CNT-O∗ + OCN and the Ge-CNT-O∗ + CN → Ge-CNT + OCN reactions. Results show that oxidation of CN on surface of Ge-CNT via the LH mechanism has lower energy barrier than ER mechanism. Finally, calculated parameters reveal that Ge-CNT is acceptable catalyst with high performance for CN oxidation, form theoretical point of view.

  19. Reversible Compositional Control of Oxide Surfaces by Electrochemical Potentials

    KAUST Repository

    Mutoro, Eva

    2012-01-05

    Perovskite oxides can exhibit a wide range of interesting characteristics such as being catalytically active and electronically/ionically conducting, and thus, they have been used in a number of solid-state devices such as solid oxide fuel cells (SOFCs) and sensors. As the surface compositions of perovskites can greatly influence the catalytic properties, knowing and controlling their surface compositions is crucial to enhance device performance. In this study, we demonstrate that the surface strontium (Sr) and cobalt (Co) concentrations of perovskite-based thin films can be controlled reversibly at elevated temperatures by applying small electrical potential biases. The surface compositional changes of La 0.8Sr 0.2CoO 3-δ (LSC 113), (La 0.5Sr 0.5) 2CoO 4±δ (LSC 214), and LSC 214-decorated LSC 113 films (LSC 113/214) were investigated in situ by utilizing synchrotron-based X-ray photoelectron spectroscopy (XPS), where the largest changes of surface Sr were found for the LSC 113/214 surface. These findings offer the potential of reversibly controlling the surface functionality of perovskites. © 2011 American Chemical Society.

  20. Surface Characterization and Electrochemical Oxidation of Metal Doped Uranium Dioxide

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Jeongmook; Kim, Jandee; Youn, Young-Sang; Kim, Jong-Goo; Ha, Yeong-Keong; Kim, Jong-Yun [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2016-10-15

    Trivalent element in UO{sub 2} matrix makes the oxygen vacancy from loss of oxygen for charge compensation. Tetravalent element alters lattice parameter of UO{sub 2} due to diameter difference between the tetravalent element and replaced U. These structural changes have significant effect on not only relevant fuel performance but also the kinetics of fuel oxidation. Park and Olander explained the stabilization of Ln (III)-doped UO{sub 2} against oxidation based on oxygen potential calculations. In this work, we have been investigated the effect of Gd{sup 3+} and Th{sup 4+} doping on the UO{sub 2} structure with Raman spectroscopy and X-ray diffraction to characterize the surface structure of nuclear fuel material. For Gd doped UO{sub 2}, its electrochemical oxidation behaviors are also investigated. The Gd and Th doped uranium dioxide solid solution pellets with various doping level were investigated by XRD, Raman spectroscopy, SEM, electrochemical experiments to investigate surface structure and electro chemical oxidation behaviors. The lattice parameter evaluated from XRD spectra indicated the formation of solid solutions. Raman spectra showed the existence of the oxygen vacancy. SEM images showed the grain structure on the surface of Gd doped uranium dioxide depending on doping level and oxygen-to-metal ratio.

  1. Macromolecular surface design: photopatterning of functional stable nitrile oxides.

    Science.gov (United States)

    Altintas, Ozcan; Glassner, Mathias; Rodriguez-Emmenegger, Cesar; Welle, Alexander; Trouillet, Vanessa; Barner-Kowollik, Christopher

    2015-05-04

    The efficient trapping of photogenerated thioaldehydes with functional shelf-stable nitrile oxides in a 1,3-dipolar cycloaddition is a novel and versatile photochemical strategy for polymer end-group functionalization and surface modification under mild and equimolar conditions. The modular ligation in solution was followed in detail by electrospray ionization mass spectrometry (ESI-MS). X-ray photoelectron spectroscopy (XPS) was employed to analyze the functionalized surfaces, whereas time-of-flight secondary-ion mass spectrometry (ToF-SIMS) confirmed the spatial control of the surface functionalization using a micropatterned shadow mask. Polymer brushes were grown from the surface in a spatially confined regime by surface-initiated atom transfer radical polymerization (SI-ATRP) as confirmed by TOF-SIMS, XPS as well as ellipsometry. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces

    DEFF Research Database (Denmark)

    Man, Isabela Costinela; Su, Hai-Yan; Vallejo, Federico Calle

    2011-01-01

    with the computational standard hydrogen electrode (SHE) model. We showed that by the discovery of a universal scaling relation between the adsorption energies of HOO* vs HO*, it is possible to analyze the reaction free energy diagrams of all the oxides in a general way. This gave rise to an activity volcano......Trends in electrocatalytic activity of the oxygen evolution reaction (OER) are investigated on the basis of a large database of HO* and HOO* adsorption energies on oxide surfaces. The theoretical overpotential was calculated by applying standard density functional theory in combination...

  3. Oxidative nanopatterning of titanium generates mesoporous surfaces with antimicrobial properties

    Directory of Open Access Journals (Sweden)

    Variola F

    2014-05-01

    Full Text Available Fabio Variola,1,2 Sylvia Francis Zalzal,3 Annie Leduc,3 Jean Barbeau,3 Antonio Nanci31Faculty of Engineering, Department of Mechanical Engineering, 2Faculty of Science, Department of Physics, University of Ottawa, Ottawa, ON, 3Faculty of Dental Medicine, Université de Montréal, Montreal, QC, CanadaAbstract: Mesoporous surfaces generated by oxidative nanopatterning have the capacity to selectively regulate cell behavior, but their impact on microorganisms has not yet been explored. The main objective of this study was to test the effects of such surfaces on the adherence of two common bacteria and one yeast strain that are responsible for nosocomial infections in clinical settings and biomedical applications. In addition, because surface characteristics are known to affect bacterial adhesion, we further characterized the physicochemical properties of the mesoporous surfaces. Focused ion beam (FIB was used to generate ultrathin sections for elemental analysis by energy-dispersive X-ray spectroscopy (EDS, nanobeam electron diffraction (NBED, and high-angle annular dark field (HAADF scanning transmission electron microscopy (STEM imaging. The adherence of Staphylococcus aureus, Escherichia coli and Candida albicans onto titanium disks with mesoporous and polished surfaces was compared. Disks with the two surfaces side-by-side were also used for direct visual comparison. Qualitative and quantitative results from this study indicate that bacterial adhesion is significantly hindered by the mesoporous surface. In addition, we provide evidence that it alters structural parameters of C. albicans that determine its invasiveness potential, suggesting that microorganisms can sense and respond to the mesoporous surface. Our findings demonstrate the efficiency of a simple chemical oxidative treatment in generating nanotextured surfaces with antimicrobial capacity with potential applications in the implant manufacturing industry and hospital setting

  4. Opposing effects of humidity on rhodochrosite surface oxidation.

    Science.gov (United States)

    Na, Chongzheng; Tang, Yuanzhi; Wang, Haitao; Martin, Scot T

    2015-03-03

    Rhodochrosite (MnCO3) is a model mineral representing carbonate aerosol particles containing redox-active elements that can influence particle surface reconstruction in humid air, thereby affecting the heterogeneous transformation of important atmospheric constituents such as nitric oxides, sulfur dioxides, and organic acids. Using in situ atomic force microscopy, we show that the surface reconstruction of rhodochrosite in humid oxygen leads to the formation and growth of oxide nanostructures. The oxidative reconstruction consists of two consecutive processes with distinctive time scales, including a long waiting period corresponding to slow nucleation and a rapid expansion phase corresponding to fast growth. By varying the relative humidity from 55 to 78%, we further show that increasing humidity has opposing effects on the two processes, accelerating nucleation from 2.8(±0.2) × 10(-3) to 3.0(±0.2) × 10(-2) h(-1) but decelerating growth from 7.5(±0.3) × 10(-3) to 3.1(±0.1) × 10(-3) μm(2) h(-1). Through quantitative analysis, we propose that nanostructure nucleation is controlled by rhodochrosite surface dissolution, similar to the dissolution-precipitation mechanism proposed for carbonate mineral surface reconstruction in aqueous solution. To explain nanostructure growth in humid oxygen, a new Cabrera-Mott mechanism involving electron tunneling and solid-state diffusion is proposed.

  5. Surface oxidation phenomena of boride coatings grown on iron

    International Nuclear Information System (INIS)

    Carbucicchio, M.; Palombarini, G.; Sambogna, G.

    1992-01-01

    Very hard boride coatings are grown on various metals using thermochemical as well as chemical vapour deposition techniques. In this way many surface properties, and in particular the wear resistance, can be considerably improved. Usually, also the corrosion behaviour of the treated components is important. In particular, oxidizing atmospheres are involved in many applications where, therefore, coating-environment interactions can play a relevant role. In a previous work, the early stages of the oxidation of iron borides were studied by treating single phase compacted powders in flowing oxygen at low temperatures (300-450deg C). In the present paper, the attention is addressed to the oxidation of both single phase and polyphase boride coatings thermochemically grown on iron. The single phase boride coatings were constituted by Fe 2 B, while the polyphase coatings were constituted by an inner Fe 2 B layer and an outer FeB-base layer. All the boride layers displayed strong (002) preferred crystallographic orientations. (orig.)

  6. Mechanism of glucose electrochemical oxidation on gold surface

    KAUST Repository

    Pasta, Mauro; La Mantia, Fabio; Cui, Yi

    2010-01-01

    The complex oxidation of glucose at the surface of gold electrodes was studied in detail in different conditions of pH, buffer and halide concentration. As observed in previous studies, an oxidative current peak occurs during the cathodic sweep showing a highly linear dependence on glucose concentration, when other electrolyte conditions are unchanged. The effect of the different conditions on the intensity of this peak has stressed the limitations of the previously proposed mechanisms. A mechanism able to explain the presence of this oxidative peak was proposed. The mechanism takes into account ion-sorption and electrochemical adsorption of OH-, buffer species (K2HPO4/KH2PO4) and halides. © 2010 Elsevier Ltd. All rights reserved.

  7. Mechanism of glucose electrochemical oxidation on gold surface

    KAUST Repository

    Pasta, Mauro

    2010-08-01

    The complex oxidation of glucose at the surface of gold electrodes was studied in detail in different conditions of pH, buffer and halide concentration. As observed in previous studies, an oxidative current peak occurs during the cathodic sweep showing a highly linear dependence on glucose concentration, when other electrolyte conditions are unchanged. The effect of the different conditions on the intensity of this peak has stressed the limitations of the previously proposed mechanisms. A mechanism able to explain the presence of this oxidative peak was proposed. The mechanism takes into account ion-sorption and electrochemical adsorption of OH-, buffer species (K2HPO4/KH2PO4) and halides. © 2010 Elsevier Ltd. All rights reserved.

  8. Designing porous metallic glass compact enclosed with surface iron oxides

    Energy Technology Data Exchange (ETDEWEB)

    Cho, Jae Young; Park, Hae Jin; Hong, Sung Hwan; Kim, Jeong Tae; Kim, Young Seok; Park, Jun-Young; Lee, Naesung [Hybrid Materials Center (HMC), Faculty of Nanotechnology and Advanced Materials Engineering, Sejong University, 209 Neungdong-ro, Gwangjin-gu, Seoul 143-747 (Korea, Republic of); Seo, Yongho [Graphene Research Institute (GRI) & HMC, Faculty of Nanotechnology and Advanced Materials Engineering, Sejong University, 209 Neungdong-ro, Gwangjin-gu, Seoul 143-747 (Korea, Republic of); Park, Jin Man, E-mail: jinman_park@hotmail.com [Global Technology Center, Samsung Electronics Co., Ltd, 129 Samsung-ro, Yeongtong-gu, Suwon-si, Gyeonggi-do 443-742 (Korea, Republic of); Kim, Ki Buem, E-mail: kbkim@sejong.ac.kr [Hybrid Materials Center (HMC), Faculty of Nanotechnology and Advanced Materials Engineering, Sejong University, 209 Neungdong-ro, Gwangjin-gu, Seoul 143-747 (Korea, Republic of)

    2015-06-25

    Highlights: • Porous metallic glass compact was developed using electro-discharge sintering process. • Uniform PMGC can only be achieved when low electrical input energy was applied. • Functional iron-oxides were formed on the surface of PMGCs by hydrothermal technique. - Abstract: Porous metallic glass compact (PMGC) using electro-discharge sintering (EDS) process of gas atomized Zr{sub 41.2}Ti{sub 13.8}Cu{sub 12.5}Ni{sub 10}Be{sub 22.5} metallic glass powder was developed. The formation of uniform PMGC can only be achieved when low electrical input energy was applied. Functional iron-oxides were formed on the surface of PMGCs by hydrothermal technique. This finding suggests that PMGC can be applied in the new area such as catalyst via hydrothermal technique and offer a promising guideline for using the metallic glasses as a potential functional application.

  9. Band energy control of molybdenum oxide by surface hydration

    Energy Technology Data Exchange (ETDEWEB)

    Butler, Keith T., E-mail: k.t.butler@bath.ac.uk; Walsh, Aron [Department of Chemistry, University of Bath, Claverton Down, Bath BA2 7AY (United Kingdom); Crespo-Otero, Rachel [School of Biological and Chemical Sciences, Queen Mary University London, Mile End Road, London E1 4NS (United Kingdom); Buckeridge, John; Scanlon, David O. [University College London, Kathleen Lonsdale Materials Chemistry, 20 Gordon Street, London WC1H 0AJ (United Kingdom); Bovill, Edward; Lidzey, David [Department of Physics and Astronomy, University of Sheffield, Hicks Building, Hounsfield Road, Sheffield S3 7RH (United Kingdom)

    2015-12-07

    The application of oxide buffer layers for improved carrier extraction is ubiquitous in organic electronics. However, the performance is highly susceptible to processing conditions. Notably, the interface stability and electronic structure is extremely sensitive to the uptake of ambient water. In this study we use density functional theory calculations to asses the effects of adsorbed water on the electronic structure of MoO{sub x}, in the context of polymer-fullerene solar cells based on PCDTBT. We obtain excellent agreement with experimental values of the ionization potential for pristine MoO{sub 3} (010). We find that IP and EA values can vary by as much as 2.5 eV depending on the oxidation state of the surface and that adsorbed water can either increase or decrease the IP and EA depending on the concentration of surface water.

  10. Nano- and Micro-Scale Oxidative Patterning of Titanium Implant Surfaces for Improved Surface Wettability.

    Science.gov (United States)

    Kim, In-hye; Son, Jun Sik; Choi, Seok Hwa; Kim, Kyo-han; Kwon, Tae-yub

    2016-02-01

    A simple and scalable surface modification treatment is demonstrated, in which nano- and microscale features are introduced into the surface of titanium (Ti) substrates by means of a novel and eco-friendly oxidative aqueous solution composed of hydrogen peroxide (H202) and sodium bicarbonate (NaHCO3). By immersing mirror-polished Ti discs in an aqueous mixture of 30 wt% H2O2/5 wt% NaHCO3 at 23 +/- 3 degrees C for 4 h, it was confirmed that this mixture is capable of generating microscale topographies on Ti surfaces. It also simultaneously formed nanochannels that were regularly arranged in a comb-like pattern on the Ti surface, thus forming a hierarchical surface structure. Further, these nano/micro-textured Ti surfaces showed great surface roughness and excellent wettability when compared with control Ti surfaces. This study demonstrates that a H2O2/NaHCO3 mixture can be effectively utilized to create reproducible nano/microscale topographies on Ti implant surfaces, thus providing an economical new oxidative solution that may be used effectively and safely as a Ti surface modification treatment.

  11. Surface energy for electroluminescent polymers and indium-tin-oxide

    International Nuclear Information System (INIS)

    Zhong Zhiyou; Yin Sheng; Liu Chen; Zhong Youxin; Zhang Wuxing; Shi Dufang; Wang Chang'an

    2003-01-01

    The contact angles on the thin films of poly[2-methoxy-5-(2'-ethylhexyloxy)-1,4-phenylenevinylene] (MEH-PPV) and indium-tin-oxide (ITO) were measured by the sessile-drop technique. The surface energies of the films were calculated using the Owens-Wendt (OW) and van Oss-Chaudhury-Good (vOCG) approaches. The overall total surface energies of MEH-PPV and the as-received ITO were 30.75 and 30.07 mJ/m 2 , respectively. Both approaches yielded almost the same surface energies. The surface energies were mainly contributed from the dispersion interactions or Lifshitz-van der Waals (LW) interactions for both MEH-PPV and ITO. The changes in the contact angles and surface energies of the ITO films, due to different solvent cleaning processes and oxygen plasma treatments, were analyzed. Experimental results revealed that the total surface energy of the ITO films increased after various cleaning processes. In comparison with different solvents used in this study, we found that methanol is an effective solvent for ITO cleaning, as a higher surface energy was observed. ITO films treated with oxygen plasma showed the highest surface energy. This work demonstrated that contact angle measurement is a useful method to diagnose the cleaning effect on ITO films

  12. Interaction of dimethylamine with clean and partially oxidized copper surfaces

    Science.gov (United States)

    Kelber, J. A.; Rogers, J. W.; Banse, B. A.; Koel, B. E.

    1990-05-01

    The interaction of dimethylamine (DMA) with partially oxidized polycrystalline copper [Cu(poly)] and clean and partially oxidized Cu(110) between 110 and 500 K has been examined using electron stimulated desorption (ESD), high resolution electron energy loss spectroscopy (HREELS) and temperature programmed desorption (TPD). ESD mass spectra of the DMA adsorbed on O/Cu(poly) between 112 and 230 K consistently display peaks at 44 amu [(CH 3) 2N] + and 46 amu [(CH 3) 2NH-H] +, but no significant parent peak at 45 amu [(CH 3) 2NH] +, even though this last feature is prominent in the gas-phase mass spectrum. OH - is not observed at temperatures below 184 K and the yield at higher temperatures is much less than that of O +. HREELS of DMA on clean and oxygen covered Cu(110) obtained at temperatures between 100 and 320 K show characteristic vibrational spectra for molecular DMA and no OH(a) vibrational modes. TPD results show that the desorption profiles of all the major peaks in the DMA mass spectrum follow that of the parent peak with no evidence for production of H 2O. The ESD, HREELS and TPD results all indicate that DMA is molecularly and reversibly adsorbed, with no significant formation of surface hydroxyl species. The results indicate that preferential adsorption of amines from amine/epoxy mixtures onto metal oxide surfaces could passivate the surface and prevent subsequent bonding to the epoxy resin.

  13. Physics and Chemistry on Well-Defined Semiconductor and Oxide Surfaces

    Science.gov (United States)

    Chen, Peijun

    electron energy loss studies on the excitation of surface plasmon in heavily B-doped Si(111) and the investigation of surface optical phonon modes in aluminum oxide thin films provide insights into the sensitive dependence of the physical properties of a solid upon its chemical modification. Successful interpretations of these elementary excitation features are built upon the understanding of the fundamental physics of low-energy electron-solid interaction. Finally, the temperature behavior of the interfacial properties of Sn/SiO_2 are explored.

  14. Molecular-level chemistry of model single-crystal oxide surfaces with model halogenated compounds

    Science.gov (United States)

    Adib, Kaveh

    Synchrotron-based X-ray photoelectron spectroscopy (XPS), temperature-programmed desorption (TPD) and low energy electron diffraction (LEED) have been used to investigate, at a molecular level, the chemistry of different terminations of single crystal iron-oxide surfaces with probe molecules (CCl4 and D2O). Comparisons of the reactivity of these surfaces towards CCl4, indicate that the presence of an uncapped surface Fe cation (strong Lewis acid site) and an adjacent oxygen site capped by that cation can effect the C-Cl bond cleavage in CCl4, resulting in dissociatively adsorbed Cl-adatoms and carbon-containing fragments. If in addition to these sites, an uncapped surface oxygen (Lewis base) site is also available, the carbon-containing moiety can then move that site, coordinate itself with that uncapped oxygen, and stabilize itself. At a later step, the carbon-containing fragment may form a strong covalent bond with the uncapped oxygen and may even abstract that surface oxygen. On the other hand, if an uncapped oxygen is not available to stabilize the carbon-containing fragment, the surface coordination will not occur and upon the subsequent thermal annealing of the surface the Cl-adatoms and the carbon-containing fragments will recombine and desorb as CCl4. Finally, the presence of surface deuteroxyls blocking the strong Lewis acid and base sites of the reactive surface, passivates this surface. Such a deuteroxylated surface will be unreactive towards CCl 4. Such a molecular level understanding of the surface chemistry of metal-oxides will have applications in the areas of selective catalysis, including environmental catalysis, and chemical sensor technology.

  15. An ab initio study of plutonium oxides surfaces; Etude ab initio des surfaces d'oxydes de Pu

    Energy Technology Data Exchange (ETDEWEB)

    Jomard, G.; Bottin, F.; Amadon, B

    2007-07-01

    By means of first-principles calculations, we have studied the atomic structure as well as the thermodynamic stability of various plutonium dioxide surfaces in function of their environment (in terms of oxygen partial pressure and temperature). All these simulations have been performed with the ABINIT code. It is well known that DFT fails to describe correctly plutonium-based materials since 5f electrons in such systems are strongly correlated. In order to go beyond DFT, we have treated PuO{sub 2} and {beta}-Pu{sub 2}O{sub 3} in a DFT+U framework. We show that the couple of parameters (U,J) that works well for pure Pu is also well designed for describing ground state (GS) properties of these two oxides. The major improvement with respect with DFT is that we are able to predict an insulating GS in agreement with experiments. The presence of a gap in the DOS (Density of States) of plutonium oxides should play a significant role in the predicted surface reactivity. However, performing DFT+U calculations on surfaces of plutonium oxide from scratch was too ambitious. That is why we decided, as a first step, to study the stability of the (100), (110) and (111) surfaces of PuO{sub 2} in a DFT-GGA framework. For each of these orientations, we considered various terminations. These ab initio results have been introduced in a thermodynamic model which allows us to predict the relative stability of the different terminations as a function of temperature and oxygen partial pressure (p{sub O{sub 2}}). We conclude that at room temperature and for p{sub O{sub 2}}{approx}10 atm., the polar O{sub 2}-(100) termination is favoured. The stabilization of such a polar stoichiometric surface is surprising and should be confirmed by DFT+U calculations before any final conclusion. (authors)

  16. Recent progress on magnetic iron oxide nanoparticles: synthesis, surface functional strategies and biomedical applications

    Science.gov (United States)

    Wu, Wei; Wu, Zhaohui; Yu, Taekyung; Jiang, Changzhong; Kim, Woo-Sik

    2015-01-01

    This review focuses on the recent development and various strategies in the preparation, microstructure, and magnetic properties of bare and surface functionalized iron oxide nanoparticles (IONPs); their corresponding biological application was also discussed. In order to implement the practical in vivo or in vitro applications, the IONPs must have combined properties of high magnetic saturation, stability, biocompatibility, and interactive functions at the surface. Moreover, the surface of IONPs could be modified by organic materials or inorganic materials, such as polymers, biomolecules, silica, metals, etc. The new functionalized strategies, problems and major challenges, along with the current directions for the synthesis, surface functionalization and bioapplication of IONPs, are considered. Finally, some future trends and the prospects in these research areas are also discussed. PMID:27877761

  17. UMTRA Surface Project management action process document: Final. Revision 2

    International Nuclear Information System (INIS)

    1996-06-01

    Title 1 of the UMTRCA authorized the DOE to undertake remedial actions at these designed sites and associated vicinity properties (VP), which contain uranium mill tailings and other residual radioactive materials (RRM) derived from the processing sites. Title 2 of the UMTRCA addresses uranium mill sites that were licensed at the time the UMTRCA was enacted. Cleanup of these Title 2 sites is the responsibility of the licensees. The cleanup of the Title 1 sites has been split into two separate projects: the Surface Project, which deals with the mill buildings, tailings, and contaminated soils at the sites and VPs; and the Ground Water Project, which is limited to the contaminated ground water at the sites. This management action process (MAP) document discusses the Uranium Mill Tailings Remedial Action (UMTRA) Surface Project. Since its inception through March 1996, the Surface Project (hereinafter called the Project) has cleaned up 16 of the 24 designated processing sites and approximately 5,000 VPs, reducing the risk to human health and the environment posed by the uranium mill tailings. Two of the 24 sites, Belfield and Bowman, North Dakota, will not be remediated at the request of the state, reducing the total number of sites to 22. By the start of FY1998, the remaining 6 processing sites and associated VPs will be cleaned up. The remedial action activities to be funded in FY1998 by the FY1998 budget request are remediation of the remaining Grand Junction, Colorado, VPs; closure of the Cheney disposal cell in Grand Junction, Colorado; and preparation of the completion reports for 4 completed sites

  18. UMTRA Surface Project management action process document: Final. Revision 2

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1996-06-01

    Title 1 of the UMTRCA authorized the DOE to undertake remedial actions at these designed sites and associated vicinity properties (VP), which contain uranium mill tailings and other residual radioactive materials (RRM) derived from the processing sites. Title 2 of the UMTRCA addresses uranium mill sites that were licensed at the time the UMTRCA was enacted. Cleanup of these Title 2 sites is the responsibility of the licensees. The cleanup of the Title 1 sites has been split into two separate projects: the Surface Project, which deals with the mill buildings, tailings, and contaminated soils at the sites and VPs; and the Ground Water Project, which is limited to the contaminated ground water at the sites. This management action process (MAP) document discusses the Uranium Mill Tailings Remedial Action (UMTRA) Surface Project. Since its inception through March 1996, the Surface Project (hereinafter called the Project) has cleaned up 16 of the 24 designated processing sites and approximately 5,000 VPs, reducing the risk to human health and the environment posed by the uranium mill tailings. Two of the 24 sites, Belfield and Bowman, North Dakota, will not be remediated at the request of the state, reducing the total number of sites to 22. By the start of FY1998, the remaining 6 processing sites and associated VPs will be cleaned up. The remedial action activities to be funded in FY1998 by the FY1998 budget request are remediation of the remaining Grand Junction, Colorado, VPs; closure of the Cheney disposal cell in Grand Junction, Colorado; and preparation of the completion reports for 4 completed sites.

  19. Development of a selective surface vacuum collector. Final report

    Energy Technology Data Exchange (ETDEWEB)

    de Waal, H.; Simonis, F.

    1980-01-01

    To make solar energy useful for cooling applications a flat plate high performance collector, which can supply solar energy at 100 to 150/sup 0/C, has been developed. To achieve a reasonable efficiency at these temperatures the thermal heat loss must be very small. This has been obtained by (1) concentration of sunlight (c = 1.6); (2) evacuation of the collector housing to eliminate convection currents (pressure less than or equal to 4kPa); (3) spectral selective coating on the absorber; and (4) a low conductive gas in the collector housing (pressure approx. = 2kPa). The collector consists of a metal box with a glass cover hermetically sealed to it in the way double glazing units are manufactured. The sides of the V-trough concentrators support the glass cover. Measurements have been performed concerning heat loss factor and durability of the vacuum. The first prototype, fitted with a spectral selective coating of tin-oxide on enameled steel (epsilon = 0.25) showed a heat-loss of 2.0 W/m/sup 2/ /sup 0/C at 90/sup 0/C, being in reasonable agreement with calculations. Improvements with respect to the spectral selective coating and the use of a low conductive gas are necessary and will lead to a heat loss factor of about 1 W/m/sup 2/ /sup 0/C. Measurements have shown that in the chosen system the desired vacuum level can be maintained for at least 10 to 15 years.

  20. Surface modification of promising cerium oxide nanoparticles for nanomedicine applications

    KAUST Repository

    Nanda, Himansu Sekhar

    2016-11-14

    Cerium oxide nanoparticles (CNPs) or nanoceria have emerged as a potential nanomedicine for the treatment of several diseases such as cancer. CNPs have a natural tendency to aggregate or agglomerate in their bare state, which leads to sedimentation in a biological environment. Since the natural biological environment is essentially aqueous, nanoparticle surface modification using suitable biocompatible hydrophilic chemical moieties is highly desirable to create effective aqueous dispersions. In this report, (6-{2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxy}-hexyl)triethoxysilane was used as a functional, biocompatible organosilane to modify the surface of CNPs to produce promising nanoparticles which open substantial therapeutic avenues. The surface modified nanoparticles were produced in situ via an ammonia-induced ethylene glycol-assisted precipitation method and were characterized using complimentary characterization techniques. The interaction between the functional moiety and the nanoparticle was studied using powerful cross polarization/magic angle sample spinning solid state nuclear magnetic resonance spectroscopy. The surface-modified nanoparticles were extremely small and demonstrated a significant improvement in aqueous dispersibility. Moreover, the existence of a strong ionic coordination between the functional moiety and the surface of the nanoparticle was realised, indicating that the surface modified nanoceria are stable and that the nanoparticles should demonstrate an enhanced circulation time in a biological environment. The surface modification approach should be promising for the production of CNPs for nanomedicine applications. © The Royal Society of Chemistry.

  1. Microarc Oxidation of Product Surfaces without Using a Bath

    Directory of Open Access Journals (Sweden)

    V. K. Shatalov

    2015-01-01

    Full Text Available While using an electrochemical method to cover the large-sized work-pieces, units, and products up to 6 м3 by protective coating, there is a certain difficulty to apply traditional anodizing techniques in a plating vat, and it is necessary to find various processing techniques.To use the existing micro-arc oxide coating (MOC methods for work-pieces of various forms and sizes in a plating vat is complicated in case it is required to provide oxide layers in separate places rather than over entire surface of a work-piece. The challenge is to treat flat surfaces in various directions, external and internal surfaces of rotation bodies, profiled surfaces, intersections, closed and through holes, pipes, as well as spline and thread openings for ensuring anti-seize properties in individual or small-scale production to meet technical requirements and operational properties of products.A design of tools to provide MOC-process of all possible surfaces of various engineering box-type products depends on many factors and can be considerably different even when processing the surfaces of the same forms. An attachment to be used is fixed directly on a large-sized design (a work-piece, a product or fastened in the special tool. The features of technological process, design shape, and arrangement of the processed surfaces define a fastening method of the attachment. Therefore it is necessary to pay much attention to a choice of the processing pattern and a design of tools.The Kaluga-branch of Bauman Moscow State Technical University is an original proposer of methods to form MOC-coatings on the separate surfaces of large-sized work-pieces using the moved and stationary electrodes to solve the above listed tasks.The following results of work will have an impact on development of the offered processing methods and their early implementation in real production:1. To provide oxide coatings on the surfaces of large-sized products or assemblies in a single or small

  2. Tantalum surface oxidation: Bond relaxation, energy entrapment, and electron polarization

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Yongling [Key Laboratory of Low-Dimensional Materials and Application Technologies (Ministry of Education), Hunan Provincial Key Laboratory of Thin Film Materials and Devices, Faculty of Materials Science and Engineering, Xiangtan University, Hunan 411105 (China); Bo, Maolin [Yangtze Normal University, College of Mechanical and Electrical Engineering, Chongqing 408100 (China); Wang, Yan [School of Information and Electronic Engineering, Hunan University of Science and Technology, Hunan 411201 (China); Liu, Yonghui [Key Laboratory of Low-Dimensional Materials and Application Technologies (Ministry of Education), Hunan Provincial Key Laboratory of Thin Film Materials and Devices, Faculty of Materials Science and Engineering, Xiangtan University, Hunan 411105 (China); Sun, Chang Q. [NOVITAS, School of Electrical and Electronic Engineering, Nanyang Technological University, Singapore 639798 (Singapore); Huang, Yongli, E-mail: huangyongli@xtu.edu.cn [Key Laboratory of Low-Dimensional Materials and Application Technologies (Ministry of Education), Hunan Provincial Key Laboratory of Thin Film Materials and Devices, Faculty of Materials Science and Engineering, Xiangtan University, Hunan 411105 (China)

    2017-02-28

    Graphical abstract: The bond, electron and energy relaxation result in core level energy shift, local densification, quantum entrapment and electron polarization of bonding electrons. - Highlights: • Increasing the oxygen coverage lowers the adsorption energy associated with lattice reconstruction. • Electrons transfer from Ta surface atoms to sp-hydrated oxygen, creating dipole moment that decreases the work function. • Oxygen chemisorption modified valence density-of-state (DOS) for Ta with four excessive DOS features: O−Ta bonding, O{sup 2−} lone pairs, Ta+ electron holes, and the lone-pair polarized Ta dipoles. • The bond, electron and energy relaxation between surface undercoordinated atoms are responsible for core level energy shift, local densification, quantum entrapment and electron polarization of bonding electrons. - Abstract: A combination of photoelectron spectrometric analysis and density functional theory calculations has enabled reconciliation of the bond-energy-electron relaxation for the Ta(100, 110, 111) surfaces chemisorbed with oxygen at different coverages. Results show that increasing oxygen coverage lowers the adsorption energy associated with lattice reconstruction. Valence electrons transfer from Ta surface atoms to oxygen to create four excessive DOS features in terms of O−Ta bonding, lone pairs of oxygen, Ta{sup +} electron holes, and polarized Ta dipoles. Oxidation proceeds in the following dynamics: oxygen gets electrons from two neighboring Ta atoms left behind Ta{sup +}; the sp{sup 3}-orbital hybridization takes place with additional two electron lone pairs, the lone pairs polarize the other two Ta neighbors becoming dipoles. X-ray photoelectron spectral analysis results in the 4f binding energy of an isolated Ta atom and its shift upon bond formation and oxidation. Exercises provide not only a promising numerical approach for the quantitative information about the bond and electronic behavior but also consistent

  3. Surface oxidization-reduction reactions in Columbia Plateau basalts

    International Nuclear Information System (INIS)

    White, A.F.; Yee, A.

    1984-01-01

    Results are presented which define principal oxidation-reduction reactions expected between ground water and iron in the Umtanum and Cohassett basalt flows of south central Washington. Data include kinetics of aqueous iron speciation, rates of O 2 uptake and nature of oxyhydroxide precipitates. Such data are important in predicting behavior of radionuclides in basalt aquifers including determination of valence states, speciation, solubility, sorption, and coprecipitation on iron oxyhydroxide substrates and colloids. Analyses of the basalt by XPS indicates that ferrous iron is oxidized to ferric iron on the surface and that the total iron decreases as a function of pH during experimental weathering. Iron oxyhydroxide phases did not form surface coating on basalt surfaces but rather nucleated as separate plases in solution. No significant increases in Cs or Sr sorption were observed with increased weathering of the basalt. Concurrent increases in Fe(II) and decreases in Fe(III) in slightly to moderately acid solutions indicated continued oxidization of ferrous iron in the basalt. At neutral to basic pH, Fe(II) was strongly sorbed onto the basalt surface (Kd = 6.5 x 10 -3 1 x m 2 ) resulting in low dissolved concentrations even under anoxic conditions. The rate of O 2 uptake increased with decreasing pH. Diffusion rates (-- 10 -14 cm 2 x s -1 ), calculated using a one-dimensional analytical model, indicate grain boundary diffusion. Comparisons of Eh values calculated by Pt electrode, dissolved O 2 and Fe(II)/Fe(III) measurements showed considerable divergence, with the ferric-ferrous couple being the preferred method of estimating Eh

  4. Tantalum surface oxidation: Bond relaxation, energy entrapment, and electron polarization

    International Nuclear Information System (INIS)

    Guo, Yongling; Bo, Maolin; Wang, Yan; Liu, Yonghui; Sun, Chang Q.; Huang, Yongli

    2017-01-01

    Graphical abstract: The bond, electron and energy relaxation result in core level energy shift, local densification, quantum entrapment and electron polarization of bonding electrons. - Highlights: • Increasing the oxygen coverage lowers the adsorption energy associated with lattice reconstruction. • Electrons transfer from Ta surface atoms to sp-hydrated oxygen, creating dipole moment that decreases the work function. • Oxygen chemisorption modified valence density-of-state (DOS) for Ta with four excessive DOS features: O−Ta bonding, O"2"− lone pairs, Ta+ electron holes, and the lone-pair polarized Ta dipoles. • The bond, electron and energy relaxation between surface undercoordinated atoms are responsible for core level energy shift, local densification, quantum entrapment and electron polarization of bonding electrons. - Abstract: A combination of photoelectron spectrometric analysis and density functional theory calculations has enabled reconciliation of the bond-energy-electron relaxation for the Ta(100, 110, 111) surfaces chemisorbed with oxygen at different coverages. Results show that increasing oxygen coverage lowers the adsorption energy associated with lattice reconstruction. Valence electrons transfer from Ta surface atoms to oxygen to create four excessive DOS features in terms of O−Ta bonding, lone pairs of oxygen, Ta"+ electron holes, and polarized Ta dipoles. Oxidation proceeds in the following dynamics: oxygen gets electrons from two neighboring Ta atoms left behind Ta"+; the sp"3-orbital hybridization takes place with additional two electron lone pairs, the lone pairs polarize the other two Ta neighbors becoming dipoles. X-ray photoelectron spectral analysis results in the 4f binding energy of an isolated Ta atom and its shift upon bond formation and oxidation. Exercises provide not only a promising numerical approach for the quantitative information about the bond and electronic behavior but also consistent insight into the

  5. Enhanced biogenic emissions of nitric oxide and nitrous oxide following surface biomass burning

    Science.gov (United States)

    Anderson, Iris C.; Levine, Joel S.; Poth, Mark A.; Riggan, Philip J.

    1988-01-01

    Recent measurements indicate significantly enhanced biogenic soil emissions of both nitric oxide (NO) and nitrous oxide (N2O) following surface burning. These enhanced fluxes persisted for at least six months following the burn. Simultaneous measurements indicate enhanced levels of exchangeable ammonium in the soil following the burn. Biomass burning is known to be an instantaneous source of NO and N2O resulting from high-temperature combustion. Now it is found that biomass burning also results in significantly enhanced biogenic emissions of these gases, which persist for months following the burn.

  6. First principles studies of complex oxide surfaces and interfaces

    International Nuclear Information System (INIS)

    Noguera, Claudine; Finocchi, Fabio; Goniakowski, Jacek

    2004-01-01

    Oxides enter our everyday life and exhibit an impressive variety of physical and chemical properties. The understanding of their behaviour, which is often determined by the electronic and atomic structures of their surfaces and interfaces, is a key question in many fields, such as geology, environmental chemistry, catalysis, thermal coatings, microelectronics, and bioengineering. In the last decade, first principles methods, mainly those based on the density functional theory, have been frequently applied to study complex oxide surfaces and interfaces, complementing the experimental observations. In this work, we discuss some of these contributions, with emphasis on several issues that are especially important when dealing with oxides: the local electronic structure at interfaces, and its connection with chemical reactivity; the charge redistribution and the bonding variations, in relation to screening properties; and the possibility of bridging the gap between model and real systems by taking into account the chemical environments and the effect of finite temperatures, and by performing simulations on systems of an adequate (large) size

  7. Fabrication of long-term stable superoleophobic surface based on copper oxide/cobalt oxide with micro-nanoscale hierarchical roughness

    Science.gov (United States)

    Barthwal, Sumit; Lim, Si-Hyung

    2015-02-01

    We have demonstrated a simple and cost-effective technique for the large-area fabrication of a superoleophobic surface using copper as a substrate. The whole process included three simple steps: First, the copper substrate was oxidized under hot alkaline conditions to fabricate flower-like copper oxide microspheres by heating at a particular temperature for an interval of time. Second, the copper-oxide-covered copper substrate was further heated in a solution of cobalt nitrate and ammonium nitrate in the presence of an ammonia solution to fabricate cobalt oxide nanostructures. We applied this second step to increase the surface roughness because it is an important criterion for improved superoleophobicity. Finally, to reduce the surface energy of the fabricated structures, the surfaces were chemically modified with perfluorooctyltrichlorosilane. Contact-angle measurements indicate that the micro-nano binary (MNB) hierarchical structures fabricated on the copper substrate became super-repellent toward a broad range of liquids with surface tension in the range of 21.5-72 mN/m. In an attempt to significantly improve the superoleophobic property of the surface, we also examined and compared the role of nanostructures in MNB hierarchical structures with only micro-fabricated surfaces. The fabricated MNB hierarchical structures also displays thermal stability and excellent long-term stability after exposure in air for more than 9 months. Our method might provide a general route toward the preparation of novel hierarchical films on metal substrates for various industrial applications.

  8. Noncontact surface thermometry for microsystems: LDRD final report.

    Energy Technology Data Exchange (ETDEWEB)

    Abel, Mark (Georgia Institute of Technology, Atlanta, GA); Beecham, Thomas (Georgia Institute of Technology, Atlanta, GA); Graham, Samuel (Georgia Institute of Technology, Atlanta, GA); Kearney, Sean Patrick; Serrano, Justin Raymond; Phinney, Leslie Mary

    2006-10-01

    We describe a Laboratory Directed Research and Development (LDRD) effort to develop and apply laser-based thermometry diagnostics for obtaining spatially resolved temperature maps on working microelectromechanical systems (MEMS). The goal of the effort was to cultivate diagnostic approaches that could adequately resolve the extremely fine MEMS device features, required no modifications to MEMS device design, and which did not perturb the delicate operation of these extremely small devices. Two optical diagnostics were used in this study: microscale Raman spectroscopy and microscale thermoreflectance. Both methods use a low-energy, nonperturbing probe laser beam, whose arbitrary wavelength can be selected for a diffraction-limited focus that meets the need for micron-scale spatial resolution. Raman is exploited most frequently, as this technique provides a simple and unambiguous measure of the absolute device temperature for most any MEMS semiconductor or insulator material under steady state operation. Temperatures are obtained from the spectral position and width of readily isolated peaks in the measured Raman spectra with a maximum uncertainty near {+-}10 K and a spatial resolution of about 1 micron. Application of the Raman technique is demonstrated for V-shaped and flexure-style polycrystalline silicon electrothermal actuators, and for a GaN high-electron-mobility transistor. The potential of the Raman technique for simultaneous measurement of temperature and in-plane stress in silicon MEMS is also demonstrated and future Raman-variant diagnostics for ultra spatio-temporal resolution probing are discussed. Microscale thermoreflectance has been developed as a complement for the primary Raman diagnostic. Thermoreflectance exploits the small-but-measurable temperature dependence of surface optical reflectivity for diagnostic purposes. The temperature-dependent reflectance behavior of bulk silicon, SUMMiT-V polycrystalline silicon films and metal surfaces is

  9. Adhesion mapping of chemically modified and poly(ethylene oxide)-grafted glass surfaces.

    Science.gov (United States)

    Jogikalmath, G; Stuart, J K; Pungor, A; Hlady, V

    1999-08-01

    Two-dimensional mapping of the adhesion pull-off forces was used to study the origin of surface heterogeneity in the grafted poly(ethylene oxide) (PEO) layer. The variance of the pull-off forces measured over the μm-sized regions after each chemical step of modifying glass surfaces was taken to be a measure of the surface chemical heterogeneity. The attachment of γ-glycidoxypropyltrimethoxy silane (GPS) to glass decreased the pull-off forces relative to the clean glass and made the surface more uniform. The subsequent hydrolysis of the terminal epoxide groups resulted in a larger surface heterogeneity which was modeled by two populations of the terminal hydroxyl groups, each with its own distribution of adhesion forces and force variance. The activation of the hydroxyls with carbonyldiimmidazole (CDI) healed the surface and lowered its adhesion, however, the force variance remained rather large. Finally, the grafting of the α,ω-diamino poly(ethyleneoxide) chains to the CDI-activated glass largely eliminated adhesion except at a few discrete regions. The adhesion on the PEO grafted layer followed the Poisson distribution of the pull-off forces. With the exception of the glass surface, a correlation between the water contact angles and the mean pull-off forces measured with the Si(3)N(4) tip surfaces was found for all modified glass surfaces.

  10. Initial oxidation processes of Si(001) surfaces by supersonic O2 molecular beams. Different oxidation mechanisms for clean and partially-oxidized surfaces

    International Nuclear Information System (INIS)

    Teraoka, Yuden; Yoshigoe, Akitaka

    2002-01-01

    Potential energy barriers for dissociative chemisorption of O 2 molecules on Si(001) clean surfaces were investigated using supersonic O 2 molecular beams and photoemission spectroscopy. Relative initial sticking probabilities of O 2 molecules and the saturated oxygen amount on the Si(001) surface were measured as a function of incident energy of O 2 molecules. Although the probability was independent on the incident energy in the region larger than 1 eV, the saturated oxygen amount was dependent on the incident energy without energy thresholds. An Si-2p photoemission spectrum of the Si(001) surface oxidized by thermal O 2 gas revealed the oxygen insertion into dimer backbond sites. These facts indicate that a reaction path of the oxygen insertion into dimer backbonds through bridge sites is open for the clean surface oxidation, and the direct chemisorption probability at the backbonds is negligibly small comparing with that at the bridge sites. (author)

  11. Ozone Decomposition on the Surface of Metal Oxide Catalyst

    Directory of Open Access Journals (Sweden)

    Batakliev Todor Todorov

    2014-12-01

    Full Text Available The catalytic decomposition of ozone to molecular oxygen over catalytic mixture containing manganese, copper and nickel oxides was investigated in the present work. The catalytic activity was evaluated on the basis of the decomposition coefficient which is proportional to ozone decomposition rate, and it has been already used in other studies for catalytic activity estimation. The reaction was studied in the presence of thermally modified catalytic samples operating at different temperatures and ozone flow rates. The catalyst changes were followed by kinetic methods, surface measurements, temperature programmed reduction and IR-spectroscopy. The phase composition of the metal oxide catalyst was determined by X-ray diffraction. The catalyst mixture has shown high activity in ozone decomposition at wet and dry O3/O2 gas mixtures. The mechanism of catalytic ozone degradation was suggested.

  12. Surface Interrogation Scanning Electrochemical Microscopy for a Photoelectrochemical Reaction: Water Oxidation on a Hematite Surface.

    Science.gov (United States)

    Kim, Jae Young; Ahn, Hyun S; Bard, Allen J

    2018-03-06

    To understand the pathway of a photoelectrochemical (PEC) reaction, quantitative knowledge of reaction intermediates is important. We describe here surface interrogation scanning electrochemical microscopy for this purpose (PEC SI-SECM), where a light pulse to a photoactive semiconductor film at a given potential generates intermediates that are then analyzed by a tip generated titrant at known times after the light pulse. The improvements were demonstrated for photoelectrochemical water oxidation (oxygen evolution) reaction on a hematite surface. The density of photoactive sites, proposed to be Fe 4+ species, on a hematite surface was successfully quantified, and the photoelectrochemical water oxidation reaction dynamics were elucidated by time-dependent redox titration experiments. The new configuration of PEC SI-SECM should find expanded usage to understand and investigate more complicated PEC reactions with other materials.

  13. Influence of corrosive solutions on microhardness and chemistry of magnesium oxide /001/ surfaces

    Science.gov (United States)

    Ishigaki, H.; Miyoshi, K.; Buckley, D. H.

    1982-01-01

    X-ray photoelectron spectroscopy analyses and hardness experiments were conducted on cleaved magnesium oxide /001/ surfaces. The magnesium oxide bulk crystals were cleaved to specimen size along the /001/ surface, and indentations were made on the cleaved surface in corrosive solutions containing HCl, NaOH, or HNO3 and in water without exposing the specimen to any other environment. The results indicated that chloride (such as MgCl2) and sodium films are formed on the magnesium oxide surface as a result of interactions between an HCl-containing solution and a cleaved magnesium oxide surface. The chloride films soften the magnesium oxide surface. In this case microhardness is strongly influenced by the pH value of the solution. The lower the pH, the lower the microhardness. Sodium films, which are formed on the magnesium oxide surface exposed to an NaOH containing solution, do not soften the magnesium oxide surface.

  14. MIS High-Purity Plutonium Oxide Metal Oxidation Product TS707001 (SSR123): Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Veirs, Douglas Kirk [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Stroud, Mary Ann [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Berg, John M. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Narlesky, Joshua Edward [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Worl, Laura Ann [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Martinez, Max A. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Carillo, Alex [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-08-09

    A high-purity plutonium dioxide material from the Material Identification and Surveillance (MIS) Program inventory has been studied with regard to gas generation and corrosion in a storage environment. Sample TS707001 represents process plutonium oxides from several metal oxidation operations as well as impure and scrap plutonium from Hanford that are currently stored in 3013 containers. After calcination to 950°C, the material contained 86.98% plutonium with no major impurities. This study followed over time, the gas pressure of a sample with nominally 0.5 wt% water in a sealed container with an internal volume scaled to 1/500th of the volume of a 3013 container. Gas compositions were measured periodically over a six year period. The maximum observed gas pressure was 138 kPa. The increase over the initial pressure of 80 kPa was primarily due to generation of nitrogen and carbon dioxide gas in the first six months. Hydrogen and oxygen were minor components of the headspace gas. At the completion of the study, the internal components of the sealed container showed signs of corrosion, including pitting.

  15. Characterization of SCC crack tips and surface oxide layers in alloy 600

    Energy Technology Data Exchange (ETDEWEB)

    Fujii, Katsuhiko; Fukuya, Koji [Inst. of Nuclear Safety System Inc., Mihama, Fukui (Japan)

    2002-09-01

    In order to investigate the mechanism of primary water stress corrosion cracking (SCC), direct observation of microstructures of SCC crack tips and surface oxide layers in alloy 600 were carried out. A focused-ion beam (FIB) micro-processing technique was applied to prepare electron transparent foils including the crack tip and the surface oxide layer without any damage to those microstructures. Transmission electron microscopy and analysis were used to characterize the crack tips and surface oxide layers. Cr-rich oxides and a metal-Ni phase were identified in the crack tips and grain boundaries ahead of the crack tips independent of dissolved hydrogen concentrations. >From the fact that the Cr-rich oxides and metal-Ni phase were observed in the inner surface oxide layer, the same oxidation mechanism as the surface is proposed for the crack tip region and internal oxidation accompanying selective Cr oxidation is suggested as the mechanism. (author)

  16. Sintering of uranium oxide of high specific surface area

    International Nuclear Information System (INIS)

    Bel, Alain; Francois, Bernard; Delmas, Roger; Caillat, Roger

    1959-01-01

    The extent to which a uranium oxide powder deriving from ammonium uranate or uranium peroxide lends itself to the sintering process depends largely on its specific surface area. When this is greater than 5 m 2 / g there is an optimum temperature for sintering in hydrogen. This temperature becomes less as the specific area of the powder is greater. Reprint of a paper published in Comptes rendus des seances de l'Academie des Sciences, t. 249, p. 1045-1047, sitting of 21 September 1959 [fr

  17. Carbon monoxide oxidation on bimetallic Ru/Au(111 surfaces

    Directory of Open Access Journals (Sweden)

    ROLF-JÜRGEN BEHM

    2001-02-01

    Full Text Available The electrochemical deposition of Ru on Au(111 was performed in 0.5 M H2SO4+10-4 M RuCl3 . The obtained bimetallic Ru/Au(111 surfaces were character-ised by cyclic voltammetry and in situ STM in 0.5 MH2SO4. The Ru deposit consists of nanoscale islands, which merge with increasing coverage. Two different types of bimetallic Ru/Au(111 surfaces with respect to the distribution of Ru islands over the Au(111 substrate surface were obtained. When the deposition was performed at potentials more positive than the range of Au(111 reconstruction, homogeneous nucleation occured resulting in a random distribution of Ru islands. When the deposition was performed on reconstructed Au(111 at low overpotentials, selective nucleation occured resulting in the replication of the Au(111 reconstruction. Only at higher deposition overpotentials, can multilayer deposits be formed, which exhibit a very rough surface morphology. The electrocatalytic activity of such structurally well defined Ru/Au(111 bimetallic surfaces was studied towards CO oxidation with the Ru coverage ranging from submonolayer to several monolayer. COstripping commences at about 0.2 Vand occurs over a broad potential range. The observed influence of the Ru structure on the CO stripping voltammetry is explained by local variations in the COadsorption energy, caused by differences in the local Ru structure and by effects induced by the Au(111 substrate.

  18. Wet oxidative degradation of cellulosic wastes 5- chemical and thermal properties of the final waste forms

    International Nuclear Information System (INIS)

    Eskander, S.B.; Saleh, H.M.

    2002-01-01

    In this study, the residual solution arising from the wet oxidative degradation of solid organic cellulosic materials, as one of the component of radioactive solid wastes, using hydrogen peroxide as oxidant. Were incorporated into ordinary Portland cement matrix. Leaching as well as thermal characterizations of the final solidified waste forms were evaluated to meet the final disposal requirements. Factors, such as the amount of the residual solution incorporated, types of leachant. Release of different radionuclides and freezing-thaw treatment, that may affect the leaching characterization. Were studied systematically from the data obtained, it was found that the final solid waste from containing 35% residual solution in tap water is higher than that in ground water or sea water. Based on the data obtained from thermal analysis, it could be concluded that incorporating the residual solution form the wet oxidative degradation of cellulosic materials has no negative effect on the hydration of cement materials and consequently on the thermal stability of the final solid waste from during the disposal process

  19. Pure and Oxidized Copper Materials as Potential Antimicrobial Surfaces for Spaceflight Activities

    Science.gov (United States)

    Hahn, C.; Hans, M.; Hein, C.; Mancinelli, R. L.; Mücklich, F.; Wirth, R.; Rettberg, P.; Hellweg, C. E.; Moeller, R.

    2017-12-01

    Microbial biofilms can lead to persistent infections and degrade a variety of materials, and they are notorious for their persistence and resistance to eradication. During long-duration space missions, microbial biofilms present a danger to crew health and spacecraft integrity. The use of antimicrobial surfaces provides an alternative strategy for inhibiting microbial growth and biofilm formation to conventional cleaning procedures and the use of disinfectants. Antimicrobial surfaces contain organic or inorganic compounds, such as antimicrobial peptides or copper and silver, that inhibit microbial growth. The efficacy of wetted oxidized copper layers and pure copper surfaces as antimicrobial agents was tested by applying cultures of Escherichia coli and Staphylococcus cohnii to these metallic surfaces. Stainless steel surfaces were used as non-inhibitory control surfaces. The production of reactive oxygen species and membrane damage increased rapidly within 1 h of exposure on pure copper surfaces, but the effect on cell survival was negligible even after 2 h of exposure. However, longer exposure times of up to 4 h led to a rapid decrease in cell survival, whereby the survival of cells was additionally dependent on the exposed cell density. Finally, the release of metal ions was determined to identify a possible correlation between copper ions in suspension and cell survival. These measurements indicated a steady increase of free copper ions, which were released indirectly by cells presumably through excreted complexing agents. These data indicate that the application of antimicrobial surfaces in spaceflight facilities could improve crew health and mitigate material damage caused by microbial contamination and biofilm formation. Furthermore, the results of this study indicate that cuprous oxide layers were superior to pure copper surfaces related to the antimicrobial effect and that cell density is a significant factor that influences the time dependence of

  20. Non-activated high surface area expanded graphite oxide for supercapacitors

    Science.gov (United States)

    Vermisoglou, E. C.; Giannakopoulou, T.; Romanos, G. E.; Boukos, N.; Giannouri, M.; Lei, C.; Lekakou, C.; Trapalis, C.

    2015-12-01

    Microwave irradiation of graphite oxide constitutes a facile route toward production of reduced graphene oxide, since during this treatment both exfoliation and reduction of graphite oxide occurs. In this work, the effect of pristine graphite (type, size of flakes), pretreatment and oxidation cycles on the finally produced expanded material was examined. All the types of graphite that were tested afforded materials with high BET surface areas ranging from 940 m2/g to 2490 m2/g, without intervening an activation stage at elevated temperature. SEM and TEM images displayed exfoliated structures, where the flakes were significantly detached and curved. The quality of the reduced graphene oxide sheets was evidenced both by X-ray photoelectron spectroscopy and Raman spectroscopy. The electrode material capacitance was determined via electrochemical impedance spectroscopy and cyclic voltammetry. The materials with PEDOT binder had better performance (∼97 F/g) at low operation rates while those with PVDF binder performed better (∼20 F/g) at higher rates, opening up perspectives for their application in supercapacitors.

  1. Surface Preparation and Deposited Gate Oxides for Gallium Nitride Based Metal Oxide Semiconductor Devices

    Directory of Open Access Journals (Sweden)

    Paul C. McIntyre

    2012-07-01

    Full Text Available The literature on polar Gallium Nitride (GaN surfaces, surface treatments and gate dielectrics relevant to metal oxide semiconductor devices is reviewed. The significance of the GaN growth technique and growth parameters on the properties of GaN epilayers, the ability to modify GaN surface properties using in situ and ex situ processes and progress on the understanding and performance of GaN metal oxide semiconductor (MOS devices are presented and discussed. Although a reasonably consistent picture is emerging from focused studies on issues covered in each of these topics, future research can achieve a better understanding of the critical oxide-semiconductor interface by probing the connections between these topics. The challenges in analyzing defect concentrations and energies in GaN MOS gate stacks are discussed. Promising gate dielectric deposition techniques such as atomic layer deposition, which is already accepted by the semiconductor industry for silicon CMOS device fabrication, coupled with more advanced physical and electrical characterization methods will likely accelerate the pace of learning required to develop future GaN-based MOS technology.

  2. Energetic Surface Smoothing of Complex Metal-Oxide Thin Films

    International Nuclear Information System (INIS)

    Willmott, P.R.; Herger, R.; Schlepuetz, C.M.; Martoccia, D.; Patterson, B.D.

    2006-01-01

    A novel energetic smoothing mechanism in the growth of complex metal-oxide thin films is reported from in situ kinetic studies of pulsed laser deposition of La 1-x Sr x MnO 3 on SrTiO 3 , using x-ray reflectivity. Below 50% monolayer coverage, prompt insertion of energetic impinging species into small-diameter islands causes them to break up to form daughter islands. This smoothing mechanism therefore inhibits the formation of large-diameter 2D islands and the seeding of 3D growth. Above 50% coverage, islands begin to coalesce and their breakup is thereby suppressed. The energy of the incident flux is instead rechanneled into enhanced surface diffusion, which leads to an increase in the effective surface temperature of ΔT≅500 K. These results have important implications on optimal conditions for nanoscale device fabrication using these materials

  3. Evolution of Near-Surface Internal and External Oxide Morphology During High-Temperature Selective Oxidation of Steels

    Science.gov (United States)

    Story, Mary E.; Webler, Bryan A.

    2018-05-01

    In this work we examine some observations made using high-temperature confocal scanning laser microscopy (HT-CSLM) during selective oxidation experiments. A plain carbon steel and advanced high-strength steel (AHSS) were selectively oxidized at high temperature (850-900°C) in either low oxygen or water vapor atmospheres. Surface evolution, including thermal grooving along grain boundaries and oxide growth, was viewed in situ during heating. Experiments investigated the influence of the microstructure and oxidizing atmosphere on selective oxidation behavior. Sequences of CSLM still frames collected during the experiment were processed with ImageJ to obtain histograms that showed a general darkening trend indicative of oxidation over time with all samples. Additional ex situ scanning electron microscopy and energy dispersive spectroscopy analysis supported in situ observations. Distinct oxidation behavior was observed for each case. Segregation, grain orientation, and extent of internal oxidation were all found to strongly influence surface evolution.

  4. Conditioning of Si-interfaces by wet-chemical oxidation: Electronic interface properties study by surface photovoltage measurements

    International Nuclear Information System (INIS)

    Angermann, Heike

    2014-01-01

    Highlights: • Determination of electronic interface properties by contact-less surface photovoltage (SPV) technique. • Systematic correlations of substrate morphology and surface electronic properties. • Optimization of surface pre-treatment for flat, saw damage etched, and textured Si solar cell substrates. • Ultra-thin passivating Si oxide layers with low densities of rechargeable states by wet-chemical oxidation and subsequent annealing. • Environmentally acceptable processes, utilizing hot water, diluted HCl, or ozone low cost alternative to current approaches with concentrated chemicals. • The effect of optimized wet-chemical pre-treatments can be preserved during subsequent layer deposition. - Abstract: The field-modulated surface photovoltage (SPV) method, a very surface sensitive technique, was utilized to determine electronic interface properties on wet-chemically oxidized and etched silicon (Si) interfaces. The influence of preparation-induced surface micro-roughness and un-stoichiometric oxides on the resulting the surface charge, energetic distribution D it (E), and density D it,min of rechargeable states was studied by simultaneous, spectroscopic ellipsometry (SE) measurements on polished Si(111) and Si(100) substrates. Based on previous findings and new research, a study of conventional and newly developed wet-chemical oxidation methods was established, correlating the interactions between involved oxidizing and etching solutions and the initial substrate morphology to the final surface conditioning. It is shown, which sequences of wet-chemical oxidation and oxide removal, have to be combined in order to achieve atomically smooth, hydrogen terminated surfaces, as well as ultra-thin oxide layers with low densities of rechargeable states on flat, saw damage etched, and textured Si substrates, as commonly applied in silicon device and solar cell manufacturing. These conventional strategies for wet-chemical pre-treatment are mainly based on

  5. The surface oxide as a source of oxygen on Rh(1 1 1)

    Energy Technology Data Exchange (ETDEWEB)

    Lundgren, E. [Department of Synchrotron Radiation Research, Institute of Physics, Lund University, Box 118, S-221 00 Lund (Sweden)]. E-mail: edvin.lundgren@sljus.lu.se; Gustafson, J. [Department of Synchrotron Radiation Research, Institute of Physics, Lund University, Box 118, S-221 00 Lund (Sweden); Resta, A. [Department of Synchrotron Radiation Research, Institute of Physics, Lund University, Box 118, S-221 00 Lund (Sweden); Weissenrieder, J. [Department of Synchrotron Radiation Research, Institute of Physics, Lund University, Box 118, S-221 00 Lund (Sweden); Mikkelsen, A. [Department of Synchrotron Radiation Research, Institute of Physics, Lund University, Box 118, S-221 00 Lund (Sweden); Andersen, J.N. [Department of Synchrotron Radiation Research, Institute of Physics, Lund University, Box 118, S-221 00 Lund (Sweden); Koehler, L. [Institut fuer Materialphysik and Centre for Computational Materials Science, Universitaet Wien, A-1090 Vienna (Austria); Kresse, G. [Institut fuer Materialphysik and Centre for Computational Materials Science, Universitaet Wien, A-1090 Vienna (Austria); Klikovits, J. [Institut fuer Allgemeine Physik, Technische Universitaet Wien, A-1040 Vienna (Austria); Biederman, A. [Institut fuer Allgemeine Physik, Technische Universitaet Wien, A-1040 Vienna (Austria); Schmid, M. [Institut fuer Allgemeine Physik, Technische Universitaet Wien, A-1040 Vienna (Austria); Varga, P. [Institut fuer Allgemeine Physik, Technische Universitaet Wien, A-1040 Vienna (Austria)

    2005-06-15

    The reduction of a thin surface oxide on the Rh(1 1 1) surface by CO is studied in situ by photoemission spectroscopy, scanning tunneling microscopy, and density functional theory. CO molecules are found not to adsorb on the surface oxide at a sample temperature of 100 K, in contrast to on the clean and chemisorbed oxygen covered surface. Despite this behavior, the surface oxide may still be reduced by CO, albeit in a significantly different fashion as compared to the reduction of a phase containing only chemisorbed on surface oxygen. The experimental observations combined with theoretical considerations concerning the stability of the surface oxide, result in a model of the reduction process at these pressures suggesting that the surface oxide behaves as a source of oxygen for the CO-oxidation reaction.

  6. Variation on wettability of anodic zirconium oxide nanotube surface

    International Nuclear Information System (INIS)

    Wang, Lu-Ning; Shen, Chen; Shinbine, Alyssa; Luo, Jing-Li

    2013-01-01

    The present study reports the effect of fabrication conditions and environmental conditions, such as anodization voltage and aging period, on the wetting of zirconium dioxide nanotube (ZrNT) surfaces. Comparing with intact zirconium foil, which was inherently less hydrophilic, possessing an approximate contact angle of 60–70°, the as-formed ZrNT surfaces were much hydrophilic with an approximate contact angle of 18°. However, the hydrophilicity of the surfaces exhibited a decrease when the nanotubular opening diameters decreased while maintaining the nanotubular layer thickness. This phenomenon was attributed to the balance of capillary force and force generated by compressed air in the ZrNTs. The annealing treatment further increased the hydrophilic property of the ZrNTs. In addition, it was found that the wettability of ZrNTs, when aged in air over a period of 105 days, demonstrated a decrease in hydrophilic characteristics and exhibited, to some extent, an increase in hydrophobic characteristics. It was believed that the surface wettability was able to be changed due to the decreasing content of hydroxyl groups in ambient atmosphere. This work can provide guidelines for improving the structural and environmental conditions responsible for changing surface wettability of ZrNT surfaces for biomedical application. - Highlights: ► Wettability of zirconium oxide nanotubes (ZrNTs) was observed and characterized. ► Increasing of nanotubular diameter decreased the hydrophilicity of ZrNTs. ► Annealing processes enhanced the hydrophilicity of ZrNTs. ► Long term aging resulted in the hydrophobicity of ZrNTs

  7. Rapid Surface Oxidation as a Source of Surface Degradation Factor for Bi 2 Se 3

    KAUST Repository

    Kong, Desheng

    2011-06-28

    Bismuth selenide (Bi2Se3) is a topological insulator with metallic surface states (SS) residing in a large bulk bandgap. In experiments, synthesized Bi2Se3 is often heavily n-type doped due to selenium vacancies. Furthermore, it is discovered from experiments on bulk single crystals that Bi2Se3 gets additional n-type doping after exposure to the atmosphere, thereby reducing the relative contribution of SS in total conductivity. In this article, transport measurements on Bi2Se3 nanoribbons provide additional evidence of such environmental doping process. Systematic surface composition analyses by X-ray photoelectron spectroscopy reveal fast formation and continuous growth of native oxide on Bi2Se3 under ambient conditions. In addition to n-type doping at the surface, such surface oxidation is likely the material origin of the degradation of topological SS. Appropriate surface passivation or encapsulation may be required to probe topological SS of Bi2Se3 by transport measurements. © 2011 American Chemical Society.

  8. Methane oxidation and methane fluxes in the ocean surface layer and deep anoxic waters

    Science.gov (United States)

    Ward, B. B.; Kilpatrick, K. A.; Novelli, P. C.; Scranton, M. I.

    1987-01-01

    Measured biological oxidation rates of methane in near-surface waters of the Cariaco Basin are compared with the diffusional fluxes computed from concentration gradients of methane in the surface layer. Methane fluxes and oxidation rates were investigated in surface waters, at the oxic/anoxic interface, and in deep anoxic waters. It is shown that the surface-waters oxidation of methane is a mechanism which modulates the flux of methane from marine waters to the atmosphere.

  9. Anticoagulation and endothelial cell behaviors of heparin-loaded graphene oxide coating on titanium surface

    Energy Technology Data Exchange (ETDEWEB)

    Pan, Chang-Jiang, E-mail: panchangjiang@hyit.edu.cn [Jiangsu Provincial Key Laboratory for Interventional Medical Devices, Huaiyin Institute of Technology, Huai' an 223003 (China); Pang, Li-Qun [Department of General Surgery, Huai' an First People' s Hospital, Nanjing Medical University, Huai' an 223300 (China); Gao, Fei [Zhejiang Zylox Medical Devices Co., Ltd., Hangzhou 310000 (China); Wang, Ya-Nan; Liu, Tao; Ye, Wei; Hou, Yan-Hua [Jiangsu Provincial Key Laboratory for Interventional Medical Devices, Huaiyin Institute of Technology, Huai' an 223003 (China)

    2016-06-01

    Owing to its unique physical and chemical properties, graphene oxide (GO) has attracted tremendous interest in many fields including biomaterials and biomedicine. The purpose of the present study is to investigate the endothelial cell behaviors and anticoagulation of heparin-loaded GO coating on the titanium surface. To this end, the titanium surface was firstly covered by the polydopamine coating followed by the deposition of the GO coating. Heparin was finally loaded on the GO coating to improve the blood compatibility. The results of attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR), Raman spectroscopy and X-ray photoelectron spectroscopy (XPS) indicated that the heparin-loaded GO coating was successfully created on the titanium surface. The scanning electron microscopy (SEM) images indicated that a relative uniform GO coating consisting of multilayer GO sheets was formed on the substrate. The hydrophilicity of the titanium surface was enhanced after the deposition of GO and further improved significantly by the loading heparin. The GO coating can enhance the endothelial cell adhesion and proliferation as compared with polydopamine coating and the blank titanium. Loading heparin on the GO coating can significantly reduce the platelet adhesion and prolong the activated partial thromboplastin time (APTT) while not influence the endothelial cell adhesion and proliferation. Therefore, the heparin-loaded GO coating can simultaneously enhance the cytocompatibility to endothelial cells and blood compatibility of biomaterials. Because the polydopamine coating can be easily prepared on most of biomaterials including polymer, ceramics and metal, thus the approach of the present study may open up a new window of promising an effective and efficient way to promote endothelialization and improve the blood compatibility of blood-contact biomedical devices such as intravascular stents. - Highlights: • Heparin-loaded graphene oxide coating was

  10. Low temperature removal of surface oxides and hydrocarbons from Ge(100) using atomic hydrogen

    Energy Technology Data Exchange (ETDEWEB)

    Walker, M., E-mail: m.walker@warwick.ac.uk; Tedder, M.S.; Palmer, J.D.; Mudd, J.J.; McConville, C.F.

    2016-08-30

    Highlights: • Preparation of a clean, well-ordered Ge(100) surface with atomic hydrogen. • Surface oxide layers removed by AHC at room temperature, but not hydrocarbons. • Increasing surface temperature during AHC dramatically improves efficiency. • AHC with the surface heated to 250 °C led to a near complete removal of contaminants. • (2 × 1) LEED pattern from IBA and AHC indicates asymmetric dimer reconstruction. - Abstract: Germanium is a group IV semiconductor with many current and potential applications in the modern semiconductor industry. Key to expanding the use of Ge is a reliable method for the removal of surface contamination, including oxides which are naturally formed during the exposure of Ge thin films to atmospheric conditions. A process for achieving this task at lower temperatures would be highly advantageous, where the underlying device architecture will not diffuse through the Ge film while also avoiding electronic damage induced by ion irradiation. Atomic hydrogen cleaning (AHC) offers a low-temperature, damage-free alternative to the common ion bombardment and annealing (IBA) technique which is widely employed. In this work, we demonstrate with X-ray photoelectron spectroscopy (XPS) that the AHC method is effective in removing surface oxides and hydrocarbons, yielding an almost completely clean surface when the AHC is conducted at a temperature of 250 °C. We compare the post-AHC cleanliness and (2 × 1) low energy electron diffraction (LEED) pattern to that obtained via IBA, where the sample is annealed at 600 °C. We also demonstrate that the combination of a sample temperature of 250 °C and atomic H dosing is required to clean the surface. Lower temperatures prove less effective in removal of the oxide layer and hydrocarbons, whilst annealing in ultra-high vacuum conditions only removes weakly bound hydrocarbons. Finally, we examine the subsequent H-termination of an IBA-cleaned sample using XPS, LEED and ultraviolet

  11. Electronic structures near surfaces of perovskite type oxides

    International Nuclear Information System (INIS)

    Hara, Toru

    2005-01-01

    This work is intended to draw attention to the origin of the electronic structures near surfaces of perovskite type oxides. Deep states were observed by ultraviolet photoelectron spectroscopic measurements. The film thickness dependent electronic structures near surfaces of (Ba 0.5 Sr 0.5 )TiO 3 thin films were observed. As for the 117-308 nm thick (Ba 0.5 Sr 0.5 )TiO 3 films, deep states were lying at 0.20, 0.55, and 0.85 eV below the quasi-fermi level, respectively. However, as for the 40 nm thick (Ba 0.5 Sr 0.5 )TiO 3 film, the states were overlapped. The A-site doping affected electronic structures near surfaces of SrTiO 3 single crystals. No evolution of deep states in non-doped SrTiO 3 single crystal was observed. However, the evolution of deep states in La-doped SrTiO 3 single crystal was observed

  12. 2011 Final Report - Nano-Oxide Photocatalysis for Solar Energy Conversion

    Energy Technology Data Exchange (ETDEWEB)

    Eckstein, James N.; Suslick, Kenneth S.

    2011-10-19

    We have very recently discovered a new hydrogen-producing photocatalyst is BiNbO4. BiNbO4 powders prepared by solid state reaction were tested for photocatalytic activity in methanol solutions under UV irradiation. When the material is tested without the presence of a Pt co-catalyst, photocatalytic activity for H2 evolution is superior to that of TiO2. It was also found that BiNbO4 photodegrades into metallic Bi and reduced Nb oxides after use; materials were characterized by SEM, XRD, and XPS. Adding Pt to the surface of the photocatalyst increases photocatalytic activity and importantly, helps to prevent photodegradation of the oxide material. With 1 wt. % Pt loading, photodegradation is essentially absent. BiNbO4 photodegrades into metallic Bi and reduced Nb oxides after use; materials were characterized by SEM, XRD, and XPS. Adding Pt to the surface of the photocatalyst increases photocatalytic activity and importantly, helps to prevent photodegradation of the oxide material. With 1 wt. % Pt loading, photodegradation is essentially absent.

  13. Design and development of anisotropic inorganic/polystyrene nanocomposites by surface modification of zinc oxide nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Han, Xiao [School of Materials Science and Engineering, Tongji University, Shanghai 200092 (China); Research Center for Translational Medicine, East Hospital, the Institute for Biomedical Engineering & Nano Science, Tongji University School of Medicine, Shanghai 200092 (China); Huang, Shiming [Department of Physics, Tongji University, Shanghai 200092 (China); Wang, Yilong, E-mail: yilongwang@tongji.edu.cn [Research Center for Translational Medicine, East Hospital, the Institute for Biomedical Engineering & Nano Science, Tongji University School of Medicine, Shanghai 200092 (China); Shi, Donglu, E-mail: shid@ucmail.uc.edu [Research Center for Translational Medicine, East Hospital, the Institute for Biomedical Engineering & Nano Science, Tongji University School of Medicine, Shanghai 200092 (China); The Materials Science and Engineering Program, College of Engineering and Applied Science, University of Cincinnati, Cincinnati, OH 45221 (United States)

    2016-07-01

    Anisotropic yolk/shell or Janus inorganic/polystyrene nanocomposites were prepared by combining miniemulsion polymerization and sol–gel reaction. The morphologies of the anisotropic composites were found to be greatly influenced by surface modification of zinc oxide (ZnO) nanoparticle seeds. Two different types of the oleic acid modified ZnO nanoparticles (OA-ZnO) were prepared by post-treatment of commercial ZnO powder and homemade OA-ZnO nanoparticles. The morphologies and properties of the nanocomposites were investigated by transmission electron microscope (TEM), thermogravimetric analysis (TGA), Fourier transform infrared spectroscopy (FT-IR), dynamic light scattering (DLS), and energy dispersive X-ray spectroscopy (EDX). It was found that both post-treated OA-ZnO and in-situ prepared OA-ZnO nanoparticles resulted in the yolk–shell and Janus structure nanocomposites, but with varied size and morphology. These nanocomposites showed stable and strong fluorescence by introducing quantum dots as the co-seeds. The fluorescent anisotropic nanocomposites were decorated separately with surface carboxyl and hydroxyl groups. These composites with unique anisotropic properties will have high potential in biomedical applications, particularly in bio-detection. - Graphical abstract: Design and development of anisotropic inorganic/polystyrene nanocomposites by surface modification of zinc oxide nanoparticles. - Highlights: • Non-magnetic anisotropic yolk/shell or Janus nanocomposites are prepared and characterized. • Different surface modification of zinc oxide (ZnO) nanoparticles results in varied morphology and size of the final product. • Fluorescent anisotropic nanocomposites embodying quantum dots are an ideal candidate for bio-detection applications.

  14. Technical support document for the surface disposal of sewage sludge. Final report

    International Nuclear Information System (INIS)

    1992-11-01

    The document provides the technical background and justification for the U.S. Environmental Protection Agency's (EPA) final regulation (40 CFR Part 503) covering the surface disposal of sewage sludge. The document summarizes current practices in land application and presents data supporting the risk assessment methodology used to derive human health and environmental risk-based limits for contaminants in sewage sludge placed on surface disposal sites. The management practices associated with surface disposal are outlined and the different pathways by which contaminants reach highly-exposed individuals (HEIs) through surface disposal are discussed

  15. Technical support document for the surface disposal of sewage sludge. Final report

    Energy Technology Data Exchange (ETDEWEB)

    1992-11-01

    The document provides the technical background and justification for the U.S. Environmental Protection Agency's (EPA) final regulation (40 CFR Part 503) covering the surface disposal of sewage sludge. The document summarizes current practices in land application and presents data supporting the risk assessment methodology used to derive human health and environmental risk-based limits for contaminants in sewage sludge placed on surface disposal sites. The management practices associated with surface disposal are outlined and the different pathways by which contaminants reach highly-exposed individuals (HEIs) through surface disposal are discussed.

  16. PEGylated graphene oxide elicits strong immunological responses despite surface passivation

    Science.gov (United States)

    Luo, Nana; Weber, Jeffrey K.; Wang, Shuang; Luan, Binquan; Yue, Hua; Xi, Xiaobo; Du, Jing; Yang, Zaixing; Wei, Wei; Zhou, Ruhong; Ma, Guanghui

    2017-02-01

    Engineered nanomaterials promise to transform medicine at the bio-nano interface. However, it is important to elucidate how synthetic nanomaterials interact with critical biological systems before such products can be safely utilized in humans. Past evidence suggests that polyethylene glycol-functionalized (PEGylated) nanomaterials are largely biocompatible and elicit less dramatic immune responses than their pristine counterparts. We here report results that contradict these findings. We find that PEGylated graphene oxide nanosheets (nGO-PEGs) stimulate potent cytokine responses in peritoneal macrophages, despite not being internalized. Atomistic molecular dynamics simulations support a mechanism by which nGO-PEGs preferentially adsorb onto and/or partially insert into cell membranes, thereby amplifying interactions with stimulatory surface receptors. Further experiments demonstrate that nGO-PEG indeed provokes cytokine secretion by enhancing integrin β8-related signalling pathways. The present results inform that surface passivation does not always prevent immunological reactions to 2D nanomaterials but also suggest applications for PEGylated nanomaterials wherein immune stimulation is desired.

  17. Oxygen Reduction Kinetics Enhancement on a Heterostructured Oxide Surface for Solid Oxide Fuel Cells

    KAUST Repository

    Crumlin, Ethan J.

    2010-11-04

    Heterostructured interfaces of oxides, which can exhibit transport and reactivity characteristics remarkably different from those of bulk oxides, are interesting systems to explore in search of highly active cathodes for the oxygen reduction reaction (ORR). Here, we show that the ORR of ∼85 nm thick La0.8Sr0.2CoO3-δ (LSC113) films prepared by pulsed laser deposition on (001)-oriented yttria-stabilized zirconia (YSZ) substrates is dramatically enhanced (∼3-4 orders of magnitude above bulk LSC113) by surface decorations of (La 0.5Sr0.5)2CoO4±δ (LSC214) with coverage in the range from ∼0.1 to ∼15 nm. Their surface and atomic structures were characterized by atomic force, scanning electron, and scanning transmission electron microscopy, and the ORR kinetics were determined by electrochemical impedance spectroscopy. Although the mechanism for ORR enhancement is not yet fully understood, our results to date show that the observed ORR enhancement can be attributed to highly active interfacial LSC113/LSC214 regions, which were shown to be atomically sharp. © 2010 American Chemical Society.

  18. Oxygen Reduction Kinetics Enhancement on a Heterostructured Oxide Surface for Solid Oxide Fuel Cells

    KAUST Repository

    Crumlin, Ethan J.; Mutoro, Eva; Ahn, Sung-Jin; la O’ , Gerardo Jose; Leonard, Donovan N.; Borisevich, Albina; Biegalski, Michael D.; Christen, Hans M.; Shao-Horn, Yang

    2010-01-01

    Heterostructured interfaces of oxides, which can exhibit transport and reactivity characteristics remarkably different from those of bulk oxides, are interesting systems to explore in search of highly active cathodes for the oxygen reduction reaction (ORR). Here, we show that the ORR of ∼85 nm thick La0.8Sr0.2CoO3-δ (LSC113) films prepared by pulsed laser deposition on (001)-oriented yttria-stabilized zirconia (YSZ) substrates is dramatically enhanced (∼3-4 orders of magnitude above bulk LSC113) by surface decorations of (La 0.5Sr0.5)2CoO4±δ (LSC214) with coverage in the range from ∼0.1 to ∼15 nm. Their surface and atomic structures were characterized by atomic force, scanning electron, and scanning transmission electron microscopy, and the ORR kinetics were determined by electrochemical impedance spectroscopy. Although the mechanism for ORR enhancement is not yet fully understood, our results to date show that the observed ORR enhancement can be attributed to highly active interfacial LSC113/LSC214 regions, which were shown to be atomically sharp. © 2010 American Chemical Society.

  19. Characterization of the thrombogenic potential of surface oxides on stainless steel for implant purposes

    International Nuclear Information System (INIS)

    Shih, C.-C.; Shih, C.-M.; Su, Y.-Y.; Chang, M.-S.; Lin, S.-J.

    2003-01-01

    Marketed stents are manufactured from various metals and passivated with different degrees of surface oxidation. The functional surface oxides on the degree of antithrombotic potential were explored through a canine femoral extracorporeal circuit model. Related properties of these oxide films were studied by open-circuit potential, current density detected at open-circuit potential, the electrochemical impedance spectroscopy, transmission electron microscopy, Auger spectroscopy (AES), X-ray photoelectron spectroscopy (XPS), and scanning electron microscopy. Experimental evidences showed that blood clot weight after a 30-min follow-up was significantly lower for the stainless steel wire passivated with amorphous oxide (AO) compared to the wire passivated with polycrystalline oxide (PO) or commercial as-received wire coils (AS). Surface characterizations showed that a stable negative current density at open-circuit potential and a significant lower potential were found for the wire surface passivated with AO than for the surface passivated with PO. Time constant of AO is about 25 times larger than that of polycrystalline oxide. Significant difference in oxide grain sizes was found between PO and AO. Surface chemistries revealed by the AES and XPS spectra indicated the presence of a Cr- and oxygen-rich surface oxide for AO, and a Fe-rich and oxygen-lean surface oxide for PO. These remarkable characteristics of AO surface film might have a potential to provide for excellent antithrombotic characteristics for the 316L stainless steel stents

  20. Study on the surface oxidation of uranium in different gaseous atmospheres

    International Nuclear Information System (INIS)

    Wang Xiaoling; Fu Yibei; Xie Renshou

    1996-03-01

    The studying for the surface oxidation of uranium and oxide by X-ray photoelectron spectroscopy (XPS), Auger electron spectroscopy (AES), secondary ion mass spectroscopy (SIMS), and the surface oxidation of uranium in different gaseous atmospheres such as O 2 , H 2 , CO, CO 2 , H 2 O(v) and air were reviewed. The surface oxidation of uranium is greatly influenced by a number of parameters including atmospheric temperature, pressure, diffusion of adsorbed gas atoms through the oxide layer, surface and interface chemical component, and defect structure and electron nature of the oxide layer. The initial oxidation mechanism and kinetics have been discussed. Suggestions for future work have also been presented. (32 refs., 7 figs., 5 tabs.)

  1. Preparation of self-organized porous anodic niobium oxide microcones and their surface wettability

    International Nuclear Information System (INIS)

    Oikawa, Y.; Minami, T.; Mayama, H.; Tsujii, K.; Fushimi, K.; Aoki, Y.; Skeldon, P.; Thompson, G.E.; Habazaki, H.

    2009-01-01

    Porous anodic niobium oxide with a pore size of ∼10 nm was formed at 10 V in glycerol electrolyte containing 0.6 mol dm -3 K 2 HPO 4 and 0.2 mol dm -3 K 3 PO 4 at 433 K. After prolonged anodizing for 5.4 ks, niobium oxide microcones develop on the surface. X-ray diffraction patterns of the anodized specimens revealed that the initially formed anodic oxide is amorphous, but an amorphous-to-crystalline transition occurs during anodizing. As a consequence of the preferential chemical dissolution of the initially formed amorphous oxide, due to different solubility of the amorphous and crystalline oxides, crystalline oxide microcones appear on the film surface after prolonged anodizing. The surface is superhydrophilic. After coating with fluorinated alkylsilane, the surface becomes superhydrophobic with a contact angle of 158 o for water. The surface is also oil repellent, with a contact angle as high as 140 o for salad oil.

  2. Study on the surface oxidation resistance of uranium metal in the atmosphere of carbon monoxide

    International Nuclear Information System (INIS)

    Wang Xiaolin; Fu Yibei; Xie Renshou

    1999-01-01

    The surface reactions of different layers on uranium metal with carbon monoxide at 25, 80 and 200 degree C are studied by X-ray photoelectron spectroscopy (XPS). The experimental results show that the carbon monoxide is adsorbed on the surface oxide layer of uranium and interacted each other. The content of oxygen in the surface oxide and O/U ratio are decreased with increasing the exposure of carbon monoxide to the surface layer. The effect of reduction on the metal surface is more obviously with a higher temperature and increasing of layer thickness. The investigation indicates the uranium metal has resistance to further oxidation in the atmosphere of carbon monoxide

  3. Improved the Surface Roughness of Silicon Nanophotonic Devices by Thermal Oxidation Method

    Energy Technology Data Exchange (ETDEWEB)

    Shi Zujun; Shao Shiqian; Wang Yi, E-mail: ywangwnlo@mail.hust.edu.cn [Wuhan National Laboratory for Optoelectronics, Huazhong University of Science and Technology, No. 1037, Luoyu Street, Wuhan 430074 (China)

    2011-02-01

    The transmission loss of the silicon-on-insulator (SOI) waveguide and the coupling loss of the SOI grating are determined to a large extent by the surface roughness. In order to obtain smaller loss, thermal oxidation is a good choice to reduce the surface roughness of the SOI waveguide and grating. Before the thermal oxidation, the root mean square of the surface roughness is over 11 nm. After the thermal oxidation, the SEM figure shows that the bottom of the grating is as smooth as quartz surface, while the AFM shows that the root mean square of the surface is less than 5 nm.

  4. XPS study of vanadium surface oxidation by oxygen ion bombardment

    Czech Academy of Sciences Publication Activity Database

    Alov, N.; Kutsko, D.; Spirovová, Ilona; Bastl, Zdeněk

    2006-01-01

    Roč. 600, č. 8 (2006), s. 1628-1631 ISSN 0039-6028 R&D Projects: GA ČR GA104/04/0467 Institutional research plan: CEZ:AV0Z40400503 Keywords : vanadium oxide * oxide film * ion-beam oxidation * X-ray photoelectron spectroscopy Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.880, year: 2006

  5. Theoretical aspects of studies of oxide and semiconductor surfaces using low energy positrons

    Science.gov (United States)

    Fazleev, N. G.; Maddox, W. B.; Weiss, A. H.

    2011-01-01

    This paper presents the results of a theoretical study of positron surface and bulk states and annihilation characteristics of surface trapped positrons at the oxidized Cu(100) single crystal and at both As- and Ga-rich reconstructed GaAs(100) surfaces. The variations in atomic structure and chemical composition of the topmost layers of the surfaces associated with oxidation and reconstructions and the charge redistribution at the surfaces are found to affect localization and spatial extent of the positron surface-state wave functions. The computed positron binding energy, work function, and annihilation characteristics reveal their sensitivity to charge transfer effects, atomic structure and chemical composition of the topmost layers of the surfaces. Theoretical positron annihilation probabilities with relevant core electrons computed for the oxidized Cu(100) surface and the As- and Ga-rich reconstructed GaAs(100) surfaces are compared with experimental ones estimated from the positron annihilation induced Auger peak intensities measured from these surfaces.

  6. Colloidally stable surface-modified iron oxide nanoparticles: Preparation, characterization and anti-tumor activity

    Energy Technology Data Exchange (ETDEWEB)

    Macková, Hana [Institute of Macromolecular Chemistry, AS CR, Heyrovsky Sq. 2, 162 06 Prague 6 (Czech Republic); Horák, Daniel, E-mail: horak@imc.cas.cz [Institute of Macromolecular Chemistry, AS CR, Heyrovsky Sq. 2, 162 06 Prague 6 (Czech Republic); Donchenko, Georgiy Viktorovich; Andriyaka, Vadim Ivanovich; Palyvoda, Olga Mikhailovna; Chernishov, Vladimir Ivanovich [Palladin Institute of Biochemistry, NASU, 9 Leontovich St., 01601 Kiev (Ukraine); Chekhun, Vasyl Fedorovich; Todor, Igor Nikolaevich [R. E. Kavetsky Institute of Experimental Pathology, Oncology and Radiobiology, NASU, 45 Vasylkivska St., 03022 Kiev (Ukraine); Kuzmenko, Oleksandr Ivanovich [Palladin Institute of Biochemistry, NASU, 9 Leontovich St., 01601 Kiev (Ukraine)

    2015-04-15

    Maghemite (γ-Fe{sub 2}O{sub 3}) nanoparticles were obtained by co-precipitation of Fe(II) and Fe(III) chlorides and subsequent oxidation with sodium hypochlorite and coated with poly(N,N-dimethylacrylamide-co-acrylic acid) [P(DMAAm-AA)]. They were characterized by a range of methods including transmission electron microscopy (TEM), elemental analysis, dynamic light scattering (DLS) and zeta potential measurements. The effect of superparamagnetic P(DMAAm-AA)-γ-Fe{sub 2}O{sub 3} nanoparticles on oxidation of blood lipids, glutathione and proteins in blood serum was detected using 2-thiobarbituric acid and the ThioGlo fluorophore. Finally, mice received magnetic nanoparticles administered per os and the antitumor activity of the particles was tested on Lewis lung carcinoma (LLC) in male mice line C57BL/6 as an experimental in vivo metastatic tumor model; the tumor size was measured and the number of metastases in lungs was determined. Surface-modified γ-Fe{sub 2}O{sub 3} nanoparticles showed higher antitumor and antimetastatic activities than commercial CuFe{sub 2}O{sub 4} particles and the conventional antitumor agent cisplatin. - Highlights: • Maghemite nanoparticles were prepared and characterized. • Poly(N,N-dimethylacrylamide-co-acrylic acid) coating was synthetized. • Blood lipid, glutathione and protein peroxidation/oxidation was determined. • Antitumor effect of coated particles on Lewis lung carcinoma in mice was observed.

  7. Relationships among surface processing at the nanometer scale, nanostructure and optical properties of thin oxide films

    Energy Technology Data Exchange (ETDEWEB)

    Losurdo, Maria

    2004-05-01

    Spectroscopic ellipsometry is used to study the optical properties of nanostructured semiconductor oxide thin films. Various examples of models for the dielectric function, based on Lorentzian oscillators combined with the Drude model, are given based on the band structure of the analyzed oxide. With this approach, the optical properties of thin films are determined independent of the dielectric functions of the corresponding bulk materials, and correlation between the optical properties and nanostructure of thin films is investigated. In particular, in order to discuss the dependence of optical constants on grain size, CeO{sub 2} nanostructured films are considered and parameterized by two-Lorentzian oscillators or two-Tauc-Lorentz model depending on the nanostructure and oxygen deficiency. The correlation among anisotropy, crystalline fraction and optical properties parameterized by a four-Lorentz oscillator model is discussed for nanocrystalline V{sub 2}O{sub 5} thin films. Indium tin oxide thin films are discussed as an example of the presence of graded optical properties related to interfacial reactivity activated by processing conditions. Finally, the example of ZnO shows the potential of ellipsometry in discerning crystal and epitaxial film polarity through the analysis of spectra and the detection of surface reactivity of the two polar faces, i.e. Zn-polarity and O-polarity.

  8. High temperature oxidation behavior of AISI 304L stainless steel—Effect of surface working operations

    International Nuclear Information System (INIS)

    Ghosh, Swati; Kumar, M. Kiran; Kain, Vivekanand

    2013-01-01

    Highlights: ► Surface working resulted in thinner oxide on the surface. ► Oxides on machined/ground surfaces richer in Cr, higher in specific resistivity. ► Additional ionic transport process at the metal-oxide for ground sample established. ► Presence of fragmented grains and martensite influenced oxide nature/morphology. - Abstract: The oxidation behavior of grade 304L stainless steel (SS) subjected to different surface finishing (machining and grinding) operations was followed in situ by contact electric resistance (CER) and electrochemical impedance spectroscopy (EIS) measurements using controlled distance electrochemistry (CDE) technique in high purity water (conductivity −1 ) at 300 °C and 10 MPa in an autoclave connected to a recirculation loop system. The results highlight the distinct differences in the oxidation behavior of surface worked material as compared to solution annealed material in terms of specific resistivity and low frequency Warburg impedance. The resultant oxide layer was characterized for (a) elemental analyses by glow discharge optical emission spectroscopy (GDOES) and (b) morphology by scanning electron microscopy (SEM). Oxide layers with higher specific resistivity and chromium content were formed in case of machined and ground conditions. Presence of an additional ionic transport process has also been identified for the ground condition at the metal/oxide interface. These differences in electrochemical properties and distinct morphological features of the oxide layer as a result of surface working were attributed to the prevalence of heavily fragmented grain structure and presence of martensite.

  9. Surface morphology study on chromium oxide growth on Cr films by Nd-YAG laser oxidation process

    International Nuclear Information System (INIS)

    Dong Qizhi; Hu Jiandong; Guo Zuoxing; Lian Jianshe; Chen Jiwei; Chen Bo

    2002-01-01

    Grain sized (60-100 nm) Cr 2 O 3 thin films were prepared on Cr thin film surfaces by Nd-YAG laser photothermal oxidation process. Surface morphology study showed crack-free short plateau-like oxide films formed. Increase of dislocation density after pulsed laser irradiation was found. Thin film external surfaces, grain boundaries and dislocations are main paths of laser surface oxidation. Pinning and sealing of grain boundary was the reason that deeper oxidation did not produce. Grain growth and agglomeration of Cr sub-layer yielded tensile stress on the surface Cr 2 O 3 thin film. It was the reason that short plateau-like surface morphology formed and cracks appeared sometimes. In oxygen annealing at 700 deg. C, grain boundaries were considered not to be pinned at the surface, mixture diffusion was main mechanism in growth of oxide. Compression stress development in whole film led to extrusion of grains that was the reason that multiple appearances such as pyramid-like and nutshell-like morphology formed

  10. Decontamination of U-metal surface by an oxidation etching system

    Energy Technology Data Exchange (ETDEWEB)

    Stout, R.B.; Kansa, E.J.; Shaffer, R.J.; Weed, H.C. [California Univ., Livermore, CA (United States). Lawrence Livermore National Lab

    2001-07-01

    A surface treatment to remove surface contamination from uranium (U) metal and/or hydrides of uranium and heavy metals (HM) from U-metal parts is described. In the case of heavy metal atomic contamination on a surface, and potentially several atomic layers beneath, the surface oxidation treatment combines both chemical and chemically driven mechanical processes. The chemical process is a controlled temperature-time oxidation process to create a thin film of uranium oxide (UO{sub 2} and higher oxides) on the U-metal surface. The chemically driven mechanical process is strain induced by the volume increase as the U-metal surface transforms to a UO{sub 2} surface film. These volume strains are significantly large to cause surface failure spalling/scale formation and thus, removal of a U-oxide film that contains the HM-contaminated surface. The case of a HM-hydride surface contamination layer can be treated similarly by using inert hot gas to decompose the U-hydrides and/or HM-hydrides that are contiguous with the surface. A preliminary analysis to design and to plan for a sequence of tests is developed. The tests will provide necessary and sufficient data to evaluate the effective implementation and operational characteristics of a safe and reliable system. The following description is limited to only a surface oxidation process for HM-decontamination. (authors)

  11. Study on the influence of carbon monoxide to the surface oxide layer of uranium metal

    International Nuclear Information System (INIS)

    Wang Xiaolin; Duan Rongliang; Fu Yibei; Xie Renshou; Zuo Changming; Zhao Chunpei; Chen Hong

    1997-01-01

    The influence of carbon monoxide to the surface oxide layer of uranium metal has been studied by X-ray photoelectron spectroscopy (XPS) and gas chromatography (GC). Carbon monoxide adsorption on the oxide layer resulted in U4f peak shifting to the lower binding energy. The content of oxygen in the oxide is decreased and the atomic ratio (O/U) is decreased by 7.2%. The amount of carbon dioxide in the atmosphere after the surface reaction is increased by 11.0%. The investigation indicates that the surface layer can prevent the further oxidation uranium metal in the atmosphere of carbon monoxide

  12. Electrochemical and morphological analyses on the titanium surface modified by shot blasting and anodic oxidation processes

    Energy Technology Data Exchange (ETDEWEB)

    Szesz, Eduardo M., E-mail: eszesz@neoortho.com.br [Neoortho Research Institute, Rua Ângelo Domingos Durigan, 607-Cascatinha, CEP 82025-100 Curitiba, PR (Brazil); Pereira, Bruno L., E-mail: brnl7@hotmail.com [Physics Department, Universidade Federal do Paraná, 81531-980 Curitiba, PR (Brazil); Kuromoto, Neide K., E-mail: kuromoto@fisica.ufpr.br [Physics Department, Universidade Federal do Paraná, 81531-980 Curitiba, PR (Brazil); Marino, Claudia E.B., E-mail: claudiamarino@yahoo.com [Mechanical Engineering Department, Universidade Federal do Paraná, 81531-980 Curitiba, PR (Brazil); Souza, Gelson B. de, E-mail: gelsonbs@uepg.br [Physics Department, Universidade Estadual de Ponta Grossa, 84051-510 Ponta Grossa, PR (Brazil); Soares, Paulo, E-mail: pa.soares@pucpr.br [Mechanical Engineering Department, Pontifícia Universidade Católica do Paraná, 80215-901 Curitiba, PR (Brazil)

    2013-01-01

    In recent years, many surface modification processes have been developed in order to induce the osseointegration on titanium surface and thus to improve the implants' biocompatibility. In this work, Ti surface has been modified by shot blasting followed by anodic oxidation process in order to associate the good surface characteristics of both processes to obtain a rough and porous surface able to promote the titanium surface bioactivity. Commercially pure titanium (grade 2) plates were used on the surface treatments that were as follows: Shot blasting (SB) performed using alumina (Al{sub 2}O{sub 3}) particles, and anodic oxidation (AO) using NaOH electrolyte. The morphology, structural changes and the open-circuit potentials (OCP) of the surfaces were analyzed. It can be observed that an increase on the roughness of the blasted surface and a rough and porous surface happens after the AO process. The anodic film produced is thin and followed the blasted surface topography. It can be observed that there are small pores with regular shape covering the entire surface. X-ray diffraction results showed the presence of the anatase and rutile phases on the blasted and anodized surface after heat treatment at 600 °C/1 h. Concerning electrochemical measurements, when the different samples were submitted to open-circuit conditions in a physiological electrolyte, the protective effect increases with the oxidation process due to the oxide layer. When the surface was blasted, the OCP was more negative when compared with the Ti surface without surface treatments. - Highlights: ► A combination of shot blasting and anodic oxidation surface treatments is proposed. ► Both processes produced an increase in roughness compared to the polished surface. ► The combination of processes produced a rough and porous surface. ► Open circuit results show that the protective effect increases with oxidation process. ► The combination of processes presents the better results in this

  13. Influence of carbon monoxide to the surface layer of uranium metal and its oxides

    International Nuclear Information System (INIS)

    Wang Xiaoling; Fu Yibei; Xie Renshou; Huang Ruiliang

    1996-09-01

    The surface structures of uranium metal and triuranium octaoxide (U 3 O 8 ) and the influence of carbon monoxide to the surface layers have been studied by X-ray photoelectron spectroscopy (XPS). After exposure to carbon monoxide, contents of oxygen in the surface oxides of uranium metal and U 3 O 8 are decreased and O/U ratios decrease 7.2%, 8.0% respectively. The investigation indicated the surface layers of uranium metal and its oxides were forbidden to further oxidation in the atmosphere of carbon monoxide. (11 refs., 9 figs., 2 tabs.)

  14. Modeling Manganese Sorption and Surface Oxidation During Filtration

    OpenAIRE

    Bierlein, Kevin Andrew

    2012-01-01

    Soluble manganese (Mn) is a common contaminant in drinking water sources. High levels of Mn can lead to aesthetic water quality problems, necessitating removal of Mn during treatment to minimize consumer complaints. Mn may be removed during granular media filtration by the â natural greensand effect,â in which soluble Mn adsorbs to manganese oxide-coated (MnOx(s)) media and is then oxidized by chlorine, forming more manganese oxide. This research builds on a previous model developed by Mer...

  15. Osseointegration improvement by plasma electrolytic oxidation of modified titanium alloys surfaces.

    Science.gov (United States)

    Echeverry-Rendón, Mónica; Galvis, Oscar; Quintero Giraldo, David; Pavón, Juan; López-Lacomba, José Luis; Jiménez-Piqué, Emilio; Anglada, Marc; Robledo, Sara M; Castaño, Juan G; Echeverría, Félix

    2015-02-01

    Titanium (Ti) is a material frequently used in orthopedic applications, due to its good mechanical properties and high corrosion resistance. However, formation of a non-adherent fibrous tissue between material and bone drastically could affect the osseointegration process and, therefore, the mechanical stability of the implant. Modifications of topography and configuration of the tissue/material interface is one of the mechanisms to improve that process by manipulating parameters such as morphology and roughness. There are different techniques that can be used to modify the titanium surface; plasma electrolytic oxidation (PEO) is one of those alternatives, which consists of obtaining porous anodic coatings by controlling parameters such as voltage, current, anodizing solution and time of the reaction. From all of the above factors, and based on previous studies that demonstrated that bone cells sense substrates features to grow new tissue, in this work commercially pure Ti (c.p Ti) and Ti6Al4V alloy samples were modified at their surface by PEO in different anodizing solutions composed of H2SO4 and H3PO4 mixtures. Treated surfaces were characterized and used as platforms to grow osteoblasts; subsequently, cell behavior parameters like adhesion, proliferation and differentiation were also studied. Although the results showed no significant differences in proliferation, differentiation and cell biological activity, overall results showed an important influence of topography of the modified surfaces compared with polished untreated surfaces. Finally, this study offers an alternative protocol to modify surfaces of Ti and their alloys in a controlled and reproducible way in which biocompatibility of the material is not compromised and osseointegration would be improved.

  16. Fenton Redox Chemistry : Arsenite Oxidation by Metallic Surfaces

    NARCIS (Netherlands)

    Borges Freitas, S.C.; Van Halem, D.; Badruzzaman, A.B.M.; Van der Meer, W.G.J.

    2014-01-01

    Pre-oxidation of As(III) is necessary in arsenic removal processes in order to increase its efficiency. Therefore, the Fenton Redox Chemistry is defined by catalytic activation of H2O2 and currently common used for its redox oxidative properties. In this study the effect of H2O2 production catalysed

  17. Influence of surface treatment on the oxidation behavior of zirconium and zircaloy-4

    International Nuclear Information System (INIS)

    Costa, I.; Ramanathan, L.V.

    1986-01-01

    The influence of fluoride concentration in surface treatment solutions on the oxidation behavior of Zr and Zircaloy-4 in the temperature range 350-760 0 C have been studied by means of thermogravimetric analysis. Two solutions containing different concentrations of hydrofluoric acid have been used for surface treatments, following which surface roughness measurements were also carried out. The influence of fluoride ion concentration on oxidation behavior has been found to be significant at higher temperatures. (Author) [pt

  18. Oxidation characteristics of the electron beam surface-treated Alloy 617 in high temperature helium environments

    International Nuclear Information System (INIS)

    Lee, Ho Jung; Sah, Injin; Kim, Donghoon; Kim, Hyunmyung; Jang, Changheui

    2015-01-01

    The oxidation characteristics of the electron beam surface-treated Alloy 617, which has an Al-rich surface layer, were evaluated in high temperature helium environments. Isothermal oxidation tests were performed in helium (99.999% purity) and VHTR-helium (helium of prototypical VHTR chemistry containing impurities like CO, CO 2 , CH 4 , and H 2 ) environments at 900 °C for up to 1000 h. The surface-treated Alloy 617 showed an initial transient oxidation stage followed by the steady-state oxidation in all test environments. In addition, the steady-state oxidation kinetics of the surface-treated Alloy 617 was 2-order of magnitude lower than that of the as-received Alloy 617 in both helium environments as well as in air. The improvement in oxidation resistance was primarily due to the formation of the protective Al 2 O 3 layer on the surface. The weight gain was larger in the order of air, helium, and VHTR-helium, while the parabolic rate constants (k p ) at steady-state were similar for all test environments. In both helium environments, the oxide structure consisted of the outer transition Al 2 O 3 with a small amount of Cr 2 O 3 and inner columnar structured Al 2 O 3 without an internal oxide. In the VHTR-helium environment, where the impurities were added to helium, the initial transient oxidation increased but the steady state kinetics was not affected

  19. Oxidative quality of commercial fried nuts: evaluation of a surface and an internal lipid fraction

    Directory of Open Access Journals (Sweden)

    Dobarganes, M. C.

    2006-09-01

    Full Text Available The oxidative quality of commercial fried nuts was evaluated by independent analyses of two lipid fractions, the surface oil, and the internal lipid fraction. The nuts studied were 6 samples of almonds, 10 samples of peanuts, 4 samples of sunflower seeds and 2 samples of cashew nuts. The oil content, peroxide value, polymer content, and fatty acid composition were analyzed. The results showed two lipid fractions with different oxidation status. Higher oxidation levels were normally found in the oil fraction more exposed  to air, although considerably higher oxidation status in the internal oil was also detected in various samples. Oxidative quality was also evaluated in selected samples of each nut after 1 year of storage at room temperature, in the dark . Only the almonds and cashew nuts exhibited acceptable oxidative quality after storage. In addition, a study on the changes due to frying and the contribution of the frying oil to the lipids in the final product showed that the composition of the surface oil can be changed by the incorporation of substantial contents of the frying fat. Consequently, the frying fat may exert some effect on the oxidative quality and oxidative stability of the surface oil.En este estudio se evalúa la calidad oxidativa de muestras comerciales de frutos secos fritos mediante el análisis independiente de dos fracciones lipídicas, el aceite superficial, fácilmente extraíble con disolventes orgánicos, y la fracción de lípidos internos. Las muestras estudiadas fueron 6 muestras de almendras, 10 muestras de cacahuetes, 4 muestras de pipas de girasol y 2 muestras de anacardos. Se analizaron el contenido de aceite, el índice de peróxidos, el contenido de polímeros y la composición de ácidos grasos. Los resultados mostraron dos fracciones lipídicas con diferente estado de oxidación. Mayores niveles de oxidación fueron normalmente encontrados en la fracción más expuesta al aire, aunque estados de oxidaci

  20. The final status of a metal surface after multipulse laser irradiation in an ambient gas

    International Nuclear Information System (INIS)

    Boulmer Leborgne, C.; Hermann, J.; Dubreuil, B.

    1993-11-01

    We have investigated the role of the ambient gas nature and pressure, and the influence of the laser pulse total duration and temporal shape in the coupling of the incident laser light of λ = 10.6μm wavelength to a metallic surface at intermediate laser intensities of 10 7 - 10 8 W/cm 2 . A plasma is accompanying then the action of the laser pulse. It is acting as an active moderator among laser beam and target thus determining the final status of the contact surface. (author). 11 refs, 6 figs

  1. Surface modification of PLGA nanoparticles to deliver nitric oxide to inhibit Escherichia coli growth

    Energy Technology Data Exchange (ETDEWEB)

    Reger, Nina A. [Department of Chemistry and Biochemistry, Duquesne University, Pittsburgh, PA 15282 (United States); Meng, Wilson S. [Division of Pharmaceutical Sciences, Duquesne University, Pittsburgh, PA 15282 (United States); Gawalt, Ellen S., E-mail: gawalte@duq.edu [Department of Chemistry and Biochemistry, Duquesne University, Pittsburgh, PA 15282 (United States); McGowan Institute for Regenerative Medicine, University of Pittsburgh, Pittsburgh, PA 15219 (United States)

    2017-04-15

    Highlights: • Thin film functionalized PLGA nanoparticles were modified to release nitric oxide from an s-nitrosothiol donor. • The nitric oxide modified nanoparticles were bacteriostatic against Escherichia coli. • The nitric oxide modified nanoparticles increased the effectiveness of tetracycline against Escherichia coli. • The modified nitric oxide nanoparticles did not exhibit cytotoxic effects against fibroblasts. - Abstract: Polymer nanoparticles consisting of poly (DL-lactic-co-glycolic acid) were surface functionalized to deliver nitric oxide. These biodegradable and biocompatible nanoparticles were modified with an S-nitrosothiol molecule, S-nitrosocysteamine, as the nitric oxide delivery molecule. S-nitrosocysteamine was covalently immobilized on the nanoparticle surface using small organic molecule linkers and carbodiimide coupling. Nanoparticle size, zeta potential, and morphology were determined using dynamic light scattering and scanning electron microscopy, respectively. Subsequent attachment of the S-nitrosothiol resulted in a nitric oxide release of 37.1 ± 1.1 nmol per milligram of nanoparticles under physiological conditions. This low concentration of nitric oxide reduced Escherichia coli culture growth by 31.8%, indicating that the nitric oxide donor was effective at releasing nitric oxide even after attachment to the nanoparticle surface. Combining the nitric oxide modified nanoparticles with tetracycline, a commonly prescribed antibiotic for E. coli infections, increased the effectiveness of the antibiotic by 87.8%, which allows for lower doses of antibiotics to be used in order to achieve the same effect. The functionalized nanoparticles were not cytotoxic to mouse fibroblasts.

  2. Surface modification of PLGA nanoparticles to deliver nitric oxide to inhibit Escherichia coli growth

    International Nuclear Information System (INIS)

    Reger, Nina A.; Meng, Wilson S.; Gawalt, Ellen S.

    2017-01-01

    Highlights: • Thin film functionalized PLGA nanoparticles were modified to release nitric oxide from an s-nitrosothiol donor. • The nitric oxide modified nanoparticles were bacteriostatic against Escherichia coli. • The nitric oxide modified nanoparticles increased the effectiveness of tetracycline against Escherichia coli. • The modified nitric oxide nanoparticles did not exhibit cytotoxic effects against fibroblasts. - Abstract: Polymer nanoparticles consisting of poly (DL-lactic-co-glycolic acid) were surface functionalized to deliver nitric oxide. These biodegradable and biocompatible nanoparticles were modified with an S-nitrosothiol molecule, S-nitrosocysteamine, as the nitric oxide delivery molecule. S-nitrosocysteamine was covalently immobilized on the nanoparticle surface using small organic molecule linkers and carbodiimide coupling. Nanoparticle size, zeta potential, and morphology were determined using dynamic light scattering and scanning electron microscopy, respectively. Subsequent attachment of the S-nitrosothiol resulted in a nitric oxide release of 37.1 ± 1.1 nmol per milligram of nanoparticles under physiological conditions. This low concentration of nitric oxide reduced Escherichia coli culture growth by 31.8%, indicating that the nitric oxide donor was effective at releasing nitric oxide even after attachment to the nanoparticle surface. Combining the nitric oxide modified nanoparticles with tetracycline, a commonly prescribed antibiotic for E. coli infections, increased the effectiveness of the antibiotic by 87.8%, which allows for lower doses of antibiotics to be used in order to achieve the same effect. The functionalized nanoparticles were not cytotoxic to mouse fibroblasts.

  3. Process for growing a film epitaxially upon an oxide surface and structures formed with the process

    Science.gov (United States)

    McKee, Rodney A.; Walker, Frederick J.

    1995-01-01

    A process and structure wherein a film comprised of a perovskite or a spinel is built epitaxially upon a surface, such as an alkaline earth oxide surface, involves the epitaxial build up of alternating constituent metal oxide planes of the perovskite or spinel. The first layer of metal oxide built upon the surface includes a metal element which provides a small cation in the crystalline structure of the perovskite or spinel, and the second layer of metal oxide built upon the surface includes a metal element which provides a large cation in the crystalline structure of the perovskite or spinel. The layering sequence involved in the film build up reduces problems which would otherwise result from the interfacial electrostatics at the first atomic layers, and these oxides can be stabilized as commensurate thin films at a unit cell thickness or grown with high crystal quality to thicknesses of 0.5-0.7 .mu.m for optical device applications.

  4. COAL CONVERSION WASTEWATER TREATMENT BY CATALYTIC OXIDATION IN SUPERCRITICAL WATER; FINAL

    International Nuclear Information System (INIS)

    Phillip E. Savage

    1999-01-01

    Wastewaters from coal-conversion processes contain phenolic compounds in appreciable concentrations. These compounds need to be removed so that the water can be discharged or re-used. Catalytic oxidation in supercritical water is one potential means of treating coal-conversion wastewaters, and this project examined the reactions of phenol over different heterogeneous oxidation catalysts in supercritical water. More specifically, we examined the oxidation of phenol over a commercial catalyst and over bulk MnO(sub 2), bulk TiO(sub 2), and CuO supported on Al(sub 2) O(sub 3). We used phenol as the model pollutant because it is ubiquitous in coal-conversion wastewaters and there is a large database for non-catalytic supercritical water oxidation (SCWO) with which we can contrast results from catalytic SCWO. The overall objective of this research project is to obtain the reaction engineering information required to evaluate the utility of catalytic supercritical water oxidation for treating wastes arising from coal conversion processes. All four materials were active for catalytic supercritical water oxidation. Indeed, all four materials produced phenol conversions and CO(sub 2) yields in excess of those obtained from purely homogeneous, uncatalyzed oxidation reactions. The commercial catalyst was so active that we could not reliably measure reaction rates that were not limited by pore diffusion. Therefore, we performed experiments with bulk transition metal oxides. The bulk MnO(sub 2) and TiO(sub 2) catalysts enhance both the phenol disappearance and CO(sub 2) formation rates during SCWO. MnO(sub 2) does not affect the selectivity to CO(sub 2), or to the phenol dimers at a given phenol conversion. However, the selectivities to CO(sub 2) are increased and the selectivities to phenol dimers are decreased in the presence of TiO(sub 2) , which are desirable trends for a catalytic SCWO process. The role of the catalyst appears to be accelerating the rate of formation of

  5. Microstructure and optical appearance of anodized friction stir processed Al - Metal oxide surface composites

    DEFF Research Database (Denmark)

    Gudla, Visweswara Chakravarthy; Jensen, Flemming; Bordo, Kirill

    2014-01-01

    Multiple-pass friction stir processing (FSP) was employed to impregnate Ti, Y and Ce oxide powders into the surface of an Aluminium alloy. The FSP processed surface composite was subsequently anodized with an aim to develop optical effects in the anodized layer owing to the presence of incorporated...... oxide particles which will influence the scattering of light. This paper presents the investigations on relation between microstructure of the FSP zone and optical appearance of the anodized layer due to incorporation of metal oxide particles and modification of the oxide particles due to the anodizing...

  6. Surface adhesion properties of graphene and graphene oxide studied by colloid-probe atomic force microscopy

    International Nuclear Information System (INIS)

    Ding Yanhuai; Zhang Ping; Ren Huming; Zhuo Qin; Yang Zhongmei; Jiang Xu; Jiang Yong

    2011-01-01

    Surface adhesion properties are important to various applications of graphene-based materials. Atomic force microscopy is powerful to study the adhesion properties of samples by measuring the forces on the colloidal sphere tip as it approaches and retracts from the surface. In this paper we have measured the adhesion force between the colloid probe and the surface of graphene (graphene oxide) nanosheet. The results revealed that the adhesion force on graphene and graphene oxide surface were 66.3 and 170.6 nN, respectively. It was found the adhesion force was mainly determined by the water meniscus, which was related to the surface contact angle of samples.

  7. Decomposition of SnH{sub 4} molecules on metal and metal–oxide surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Ugur, D. [TNO, Stieltjesweg 1, 2628 CK Delft (Netherlands); Delft University of Technology, Department of Materials Science and Engineering, Mekelweg 2, 2628 CD Delft (Netherlands); Storm, A.J.; Verberk, R. [TNO, Stieltjesweg 1, 2628 CK Delft (Netherlands); Brouwer, J.C. [Delft University of Technology, Department of Materials Science and Engineering, Mekelweg 2, 2628 CD Delft (Netherlands); Sloof, W.G., E-mail: w.g.sloof@tudelft.nl [Delft University of Technology, Department of Materials Science and Engineering, Mekelweg 2, 2628 CD Delft (Netherlands)

    2014-01-01

    Atomic hydrogen cleaning is a promising method for EUV lithography systems, to recover from surface oxidation and to remove carbon and tin contaminants. Earlier studies showed, however, that tin may redeposit on nearby surfaces due to SnH{sub 4} decomposition. This phenomenon of SnH{sub 4} decomposition during tin cleaning has been quantified for various metallic and metal-oxide surfaces using X-ray photoelectron spectroscopy (XPS). It was observed that the metal oxide surfaces (TiO{sub 2} and ZrO{sub 2}) were significantly less contaminated than metallic surfaces. Tin contamination due to SnH{sub 4} decomposition can thus be reduced or even mitigated by application of a suitable metal-oxide coating.

  8. Surface effects in metal oxide-based nanodevices

    KAUST Repository

    Lien, Der Hsien

    2015-10-29

    As devices shrink to the nanoscale, surface-to-volume ratio increases and the surface-environment interaction becomes a major factor for affecting device performance. The variation of electronic properties, including the surface band bending, gas chemisorption or photodesorption, native surface defects, and surface roughness, is called "surface effects". Such effects are ambiguous because they can be either negative or beneficial effects, depending on the environmental conditions and device application. This review provides an introduction to the surface effects on different types of nanodevices, offering the solutions to respond to their benefits and negative effects and provides an outlook on further applications regarding the surface effect. This review is beneficial for designing nano-enabled photodetectors, harsh electronics, memories, sensors and transistors via surface engineering.

  9. Surface effects in metal oxide-based nanodevices

    KAUST Repository

    Lien, Der Hsien; Duran Retamal, Jose Ramon; Ke, Jr Jian; Kang, Chen Fang; He, Jr-Hau

    2015-01-01

    As devices shrink to the nanoscale, surface-to-volume ratio increases and the surface-environment interaction becomes a major factor for affecting device performance. The variation of electronic properties, including the surface band bending, gas chemisorption or photodesorption, native surface defects, and surface roughness, is called "surface effects". Such effects are ambiguous because they can be either negative or beneficial effects, depending on the environmental conditions and device application. This review provides an introduction to the surface effects on different types of nanodevices, offering the solutions to respond to their benefits and negative effects and provides an outlook on further applications regarding the surface effect. This review is beneficial for designing nano-enabled photodetectors, harsh electronics, memories, sensors and transistors via surface engineering.

  10. Optimization of Fenton's oxidation of herbicide dicamba in water using response surface methodology

    Science.gov (United States)

    Sangami, Sanjeev; Manu, Basavaraju

    2017-12-01

    In this study Fenton's oxidation of dicamba in aqueous medium was investigated by using the response surface methodology. The influence of H2O2/COD ( A), H2O2/Fe2+ ( B), pH ( C) and reaction time ( D) as independent variables were studied on two responses (COD and dicamba removal efficiency). The dosage of H2O2 (5.35-17.4 mM) and Fe2+ (0.09-2.13 mM) were varied and optimum percentage removal of dicamba of 84.01% with H2O2 and Fe2+ dosage of 11.38 and 0.33 mM respectively. The whole oxidation process was monitored by high performance liquid chromatography (HPLC) along with liquid chromatography/mass spectrometry (LC/MS). It was found that 82% of dicamba was mineralized to oxalic acid, chloride ion, CO2 and H2O, which was confirmed with COD removal of 81.53%. The regression analysis was performed, in which standard deviation (2.74), coefficient of correlation ( R 2 = R_{adj}2) and adequate precision (>12) were in good agreement with model values. Finally, the treatment process was validated by performing the additional experiments.

  11. Heat-induced redistribution of surface oxide in uranium

    International Nuclear Information System (INIS)

    Swissa, E.; Shamir, N.; Bloch, J.; Mintz, M.H.; Israel Atomic Energy Commission, Beersheba. Nuclear Research Center-Negev)

    1990-01-01

    The redistribution of oxygen and uranium metal at the vicinity of the metal-oxide interface of native and grown oxides due to vacuum thermal annealing was studied for uranium and uranium-chromium alloy using Auger depth profiling and metallographic techniques. It was found that uranium metal is segregating out through the uranium oxide layer for annealing temperatures above 450deg C. At the same time the oxide is redistributed in the metal below the oxide-metal interface in a diffusion like process. By applying a diffusion equation of a finite source, the diffusion coefficients for the process were obtained from the oxygen depth profiles measured for different annealing times. An Arrhenius like behavior was found for the diffusion coefficient between 400 and 800deg C. The activation energy obtained was E a =15.4±1.9 kcal/mole and the pre-exponential factor, D 0 =1.1x10 -8 cm 2 /s. An internal oxidation mechanism is proposed to explain the results. (orig.)

  12. Heat-induced redistribution of surface oxide in uranium

    Science.gov (United States)

    Swissa, Eli; Shamir, Noah; Mintz, Moshe H.; Bloch, Joseph

    1990-09-01

    The redistribution of oxygen and uranium metal at the vicinity of the metal-oxide interface of native and grown oxides due to vacuum thermal annealing was studied for uranium and uranium-chromium alloy using Auger depth profiling and metallographic techniques. It was found that uranium metal is segregating out through the uranium oxide layer for annealing temperatures above 450°C. At the same time the oxide is redistributed in the metal below the oxide-metal interface in a diffusion like process. By applying a diffusion equation of a finite source, the diffusion coefficients for the process were obtained from the oxygen depth profiles measured for different annealing times. An Arrhenius like behavior was found for the diffusion coefficient between 400 and 800°C. The activation energy obtained was Ea = 15.4 ± 1.9 kcal/mole and the pre-exponential factor, D0 = 1.1 × 10 -8cm2/ s. An internal oxidation mechanism is proposed to explain the results.

  13. Reduction of a thin chromium oxide film on Inconel surface upon treatment with hydrogen plasma

    Energy Technology Data Exchange (ETDEWEB)

    Vesel, Alenka, E-mail: alenka.vesel@guest.arnes.si [Jozef Stefan Institute, Jamova cesta 39, 1000 Ljubljana (Slovenia); Mozetic, Miran [Jozef Stefan Institute, Jamova cesta 39, 1000 Ljubljana (Slovenia); Balat-Pichelin, Marianne [PROMES-CNRS Laboratory, 7 Rue du four solaire, 66120 Font Romeu Odeillo (France)

    2016-11-30

    Highlights: • Oxidized Inconel alloy was exposed to hydrogen at temperatures up to 1500 K. • Oxide reduction in hydrogen plasma started at approximately 1300 K. • AES depth profiling revealed complete reduction of oxides in plasma. • Oxides were not reduced, if the sample was heated just in hydrogen atmosphere. • Surface of reduced Inconel preserved the same composition as the bulk material. - Abstract: Inconel samples with a surface oxide film composed of solely chromium oxide with a thickness of approximately 700 nm were exposed to low-pressure hydrogen plasma at elevated temperatures to determine the suitable parameters for reduction of the oxide film. The hydrogen pressure during treatment was set to 60 Pa. Plasma was created by a surfaguide microwave discharge in a quartz glass tube to allow for a high dissociation fraction of hydrogen molecules. Auger electron depth profiling (AES) was used to determine the decay of the oxygen in the surface film and X-ray diffraction (XRD) to measure structural modifications. During hydrogen plasma treatment, the oxidized Inconel samples were heated to elevated temperatures. The reduction of the oxide film started at temperatures of approximately 1300 K (considering the emissivity of 0.85) and the oxide was reduced in about 10 s of treatment as revealed by AES. The XRD showed sharper substrate peaks after the reduction. Samples treated in hydrogen atmosphere under the same conditions have not been reduced up to approximately 1500 K indicating usefulness of plasma treatment.

  14. Conditioning of Si-interfaces by wet-chemical oxidation: Electronic interface properties study by surface photovoltage measurements

    Energy Technology Data Exchange (ETDEWEB)

    Angermann, Heike, E-mail: angermann@helmholtz-berlin.de

    2014-09-01

    Highlights: • Determination of electronic interface properties by contact-less surface photovoltage (SPV) technique. • Systematic correlations of substrate morphology and surface electronic properties. • Optimization of surface pre-treatment for flat, saw damage etched, and textured Si solar cell substrates. • Ultra-thin passivating Si oxide layers with low densities of rechargeable states by wet-chemical oxidation and subsequent annealing. • Environmentally acceptable processes, utilizing hot water, diluted HCl, or ozone low cost alternative to current approaches with concentrated chemicals. • The effect of optimized wet-chemical pre-treatments can be preserved during subsequent layer deposition. - Abstract: The field-modulated surface photovoltage (SPV) method, a very surface sensitive technique, was utilized to determine electronic interface properties on wet-chemically oxidized and etched silicon (Si) interfaces. The influence of preparation-induced surface micro-roughness and un-stoichiometric oxides on the resulting the surface charge, energetic distribution D{sub it}(E), and density D{sub it,min} of rechargeable states was studied by simultaneous, spectroscopic ellipsometry (SE) measurements on polished Si(111) and Si(100) substrates. Based on previous findings and new research, a study of conventional and newly developed wet-chemical oxidation methods was established, correlating the interactions between involved oxidizing and etching solutions and the initial substrate morphology to the final surface conditioning. It is shown, which sequences of wet-chemical oxidation and oxide removal, have to be combined in order to achieve atomically smooth, hydrogen terminated surfaces, as well as ultra-thin oxide layers with low densities of rechargeable states on flat, saw damage etched, and textured Si substrates, as commonly applied in silicon device and solar cell manufacturing. These conventional strategies for wet-chemical pre-treatment are mainly

  15. Site-Specific Molecule-Surface Interactions on Metal Oxides

    National Research Council Canada - National Science Library

    Reisler, Hanna

    1998-01-01

    .... At low incident energies rotational and translational temperatures of scattered HCl were equal to the surface temperature, and residence times in the millisecond regime were observed at low surface temperature. When HCl(v=2, J=1...

  16. Oxidation of aqueous HF-treated Si(001) surface induced by translational kinetic energy of O sub 2 at room temperature

    CERN Document Server

    Yoshigoe, A

    2003-01-01

    The oxidation induced by the translational kinetic energy of O sub 2 on the Si(001) surface treated with HF solution were investigated by combining synchrotron radiation photoemission spectroscopy with the supersonic molecular beam techniques. The oxidation at room temperature did not progress up to 3600 L of O sub 2 exposure with incident energy of 0.04 eV, whereas the oxidation states of up to Si sup 4 sup + species were formed in the case of 3.0 eV. The oxide-layer thickness was estimated to be 0.26 nm at the final oxidation stages. We concluded that the Si atoms at the top layers were oxidized by the incident energy of 3.0 eV.

  17. Oxidation behaviour of cast aluminium matrix composites with Ce surface coatings

    International Nuclear Information System (INIS)

    Pardo, A.; Merino, M.C.; Arrabal, R.; Feliu, S.; Viejo, F.

    2007-01-01

    The oxidation behaviour of SiC-reinforced aluminium matrix composites (A3xx.x/SiCp) has been studied after Ce-based treatments. Kinetics data of oxidation process were obtained from gravimetric tests performed at different temperatures (350, 425 and 500 o C). The nature of the oxidation layer was analyzed by scanning electron and atomic force microscopy, energy dispersive X-ray analysis, X-ray photoelectron spectroscopy and X-ray diffraction. The extent of oxidation degradation in untreated composites was preferentially localized in matrix/SiCp interfaces favouring the MgO formation. Ce coatings favoured a uniform oxidation of the composite surface with MgAl 2 O 4 spinel formation. This oxide increased the surface hardness of the materials

  18. Influence of surface oxidation on ion dynamics and capacitance in porous and nonporous carbon electrodes

    Energy Technology Data Exchange (ETDEWEB)

    Dyatkin, Boris [Drexel Univ., Philadelphia, PA (United States); Zhang, Yu [Vanderbilt Univ., Nashville, TN (United States); Mamontov, Eugene [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Kolesnikov, Alexander I. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Cheng, Yongqiang [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Meyer, III, Harry M. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Cummings, Peter T. [Vanderbilt Univ., Nashville, TN (United States); Gogotsi, Yury G. [Drexel Univ., Philadelphia, PA (United States)

    2016-04-07

    Here, we investigate the influence of surface chemistry and ion confinement on capacitance and electrosorption dynamics of room-temperature ionic liquids (RTILs) in supercapacitors. Using air oxidation and vacuum annealing, we produced defunctionalized and oxygen-rich surfaces of carbide-derived carbons (CDCs) and graphene nanoplatelets (GNPs). While oxidized surfaces of porous CDCs improve capacitance and rate handling abilities of ions, defunctionalized nonporous GNPs improve charge storage densities on planar electrodes. Quasi-elastic neutron scattering (QENS) and inelastic neutron scattering (INS) probed the structure, dynamics, and orientation of RTIL ions confined in divergently functionalized pores. Oxidized, ionophilic surfaces draw ions closer to pore surfaces and enhance potential-driven ion transport during electrosorption. Molecular dynamics (MD) simulations corroborated experimental data and demonstrated the significance of surface functional groups on ion orientations, accumulation densities, and capacitance.

  19. Growth of micrometric oxide layers to explore laser decontamination of metallic surfaces

    OpenAIRE

    Carvalho Luisa; Pacquentin Wilfried; Tabarant Michel; Maskrot Hicham; Semerok Alexandre

    2017-01-01

    The nuclear industry produces a wide range of radioactive waste in terms of hazard level, contaminants and material. For metallic equipment like steam generators, the radioactivity is mainly located in the oxide surface. In order to study and develop safe techniques for dismantling and for decontamination, it is important to have access to oxide layers with a representative distribution of non-radioactive contaminants. In this paper we propose a method for the creation of oxide layers on stai...

  20. Growth of micrometric oxide layers for the study of metallic surfaces decontamination by laser

    OpenAIRE

    Carvalho Luisa; Pacquentin Wilfried; Tabarant Michel; Maskrot Hicham; Semerok Alexandre

    2017-01-01

    The nuclear industry produces a wide range of radioactive waste in term of level of hazard, contaminants and material. For metallic equipment like steam generators, the radioactivity is mainly located in the oxide surface. In order to study and develop techniques for dismantling and for decontamination in a safe way, it is important to have access to oxide layers with a representative distribution of non-radioactive contaminants. We propose a method of formation of oxide layer on stainless st...

  1. Adsorption and revaporisation studies on iodine oxide aerosols deposited on containment surface materials in LWR

    Energy Technology Data Exchange (ETDEWEB)

    Tietze, S.; Foreman, M.R.StJ.; Ekberg, C. [Chalmers Univ. of Technology, Goeteborg (Sweden); Kaerkelae, T.; Auvinen, A.; Tapper, U.; Lamminmaeki, S.; Jokiniemi, J. [VTT Technical Research Centre of Finland, Espoo (Finland)

    2012-12-15

    During a hypothetical severe nuclear accident, the radiation field will be very high in the nuclear reactor containment building. As a result gaseous radiolysis products will be formed. Elemental iodine can react in the gaseous phase with ozone to form solid iodine oxide aerosol particles (iodine oxide). Within the AIAS (Adsorption of Iodine oxide Aerosols on Surfaces) project the interactions of iodine oxide (IOx) aerosols with common containment surface materials were investigated. Common surface materials in Swedish and Finnish LWRs are Teknopox Aqua V A paint films and metal surfaces such as Cu, Zn, Al and SS, as well as Pt and Pd surfaces from hydrogen recombiners. Non-radioactive and {sup 131}I labelled iodine oxide aerosols were produced with the EXSI CONT facility from elemental iodine and ozone at VTT Technical Research Centre of Finland. The iodine oxide deposits were analysed with microscopic and spectroscopic measurement techniques to identify the kind of iodine oxide formed and if a chemical conversion on the different surface materials occurs. The revaporisation behaviour of the deposited iodine oxide aerosol particles from the different surface materials was studied under the influence of heat, humidity and gamma irradiation at Chalmers University of Technology, Sweden. Studies on the effects of humidity were performed using the FOMICAG facility, while heat and irradiation experiments were performed in a thermostated heating block and with a gammacell 22 having a dose rate of 14 kGy/h. The revaporisation losses were measured using a HPGe detector. The revaporisated {sup 131}I species from the surfaces were chemically tested for elemental iodine formation. The parameter dominating the degradation of the produced iodine oxide aerosols was humidity. Cu and Zn surfaces were found to react with iodine from the iodine oxide aerosols to form iodides, while no metal iodides were detected for Al and SS samples. Most of the iodine oxide aerosols are assumed to

  2. Adsorption and revaporisation studies on iodine oxide aerosols deposited on containment surface materials in LWR

    International Nuclear Information System (INIS)

    Tietze, S.; Foreman, M.R.StJ.; Ekberg, C.; Kaerkelae, T.; Auvinen, A.; Tapper, U.; Lamminmaeki, S.; Jokiniemi, J.

    2012-12-01

    During a hypothetical severe nuclear accident, the radiation field will be very high in the nuclear reactor containment building. As a result gaseous radiolysis products will be formed. Elemental iodine can react in the gaseous phase with ozone to form solid iodine oxide aerosol particles (iodine oxide). Within the AIAS (Adsorption of Iodine oxide Aerosols on Surfaces) project the interactions of iodine oxide (IOx) aerosols with common containment surface materials were investigated. Common surface materials in Swedish and Finnish LWRs are Teknopox Aqua V A paint films and metal surfaces such as Cu, Zn, Al and SS, as well as Pt and Pd surfaces from hydrogen recombiners. Non-radioactive and 131 I labelled iodine oxide aerosols were produced with the EXSI CONT facility from elemental iodine and ozone at VTT Technical Research Centre of Finland. The iodine oxide deposits were analysed with microscopic and spectroscopic measurement techniques to identify the kind of iodine oxide formed and if a chemical conversion on the different surface materials occurs. The revaporisation behaviour of the deposited iodine oxide aerosol particles from the different surface materials was studied under the influence of heat, humidity and gamma irradiation at Chalmers University of Technology, Sweden. Studies on the effects of humidity were performed using the FOMICAG facility, while heat and irradiation experiments were performed in a thermostated heating block and with a gammacell 22 having a dose rate of 14 kGy/h. The revaporisation losses were measured using a HPGe detector. The revaporisated 131 I species from the surfaces were chemically tested for elemental iodine formation. The parameter dominating the degradation of the produced iodine oxide aerosols was humidity. Cu and Zn surfaces were found to react with iodine from the iodine oxide aerosols to form iodides, while no metal iodides were detected for Al and SS samples. Most of the iodine oxide aerosols are assumed to be

  3. Grafting of diazonium salts on oxides surface: formation of aryl-O bonds on iron oxide nanoparticles

    International Nuclear Information System (INIS)

    Brymora, Katarzyna; Fouineau, Jonathan; Eddarir, Asma; Chau, François; Yaacoub, Nader; Grenèche, Jean-Marc; Pinson, Jean; Ammar, Souad; Calvayrac, Florent

    2015-01-01

    Combining ab initio modeling and 57 Fe Mössbauer spectrometry, we characterized the nature of the chemical linkage of aminoalkyl arenediazonium salt on the surface of iron oxide nanoparticles. We established that it is built through a metal–oxygen–carbon bonding and not a metal–carbon one, as usually suggested and commonly observed in previously studied metal- or carbon-based surfaces

  4. Grafting of diazonium salts on oxides surface: formation of aryl-O bonds on iron oxide nanoparticles

    Science.gov (United States)

    Brymora, Katarzyna; Fouineau, Jonathan; Eddarir, Asma; Chau, François; Yaacoub, Nader; Grenèche, Jean-Marc; Pinson, Jean; Ammar, Souad; Calvayrac, Florent

    2015-11-01

    Combining ab initio modeling and 57Fe Mössbauer spectrometry, we characterized the nature of the chemical linkage of aminoalkyl arenediazonium salt on the surface of iron oxide nanoparticles. We established that it is built through a metal-oxygen-carbon bonding and not a metal-carbon one, as usually suggested and commonly observed in previously studied metal- or carbon-based surfaces.

  5. Grafting of diazonium salts on oxides surface: formation of aryl-O bonds on iron oxide nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Brymora, Katarzyna [LUNAM Université du Maine, IMMM UMR CNRS 6283 (France); Fouineau, Jonathan; Eddarir, Asma; Chau, François [Université Paris Diderot, Sorbonne Paris Cité, ITODYS CNRS UMR 7086 (France); Yaacoub, Nader; Grenèche, Jean-Marc [LUNAM Université du Maine, IMMM UMR CNRS 6283 (France); Pinson, Jean; Ammar, Souad [Université Paris Diderot, Sorbonne Paris Cité, ITODYS CNRS UMR 7086 (France); Calvayrac, Florent, E-mail: florent.calvayrac@univ-lemans.fr [LUNAM Université du Maine, IMMM UMR CNRS 6283 (France)

    2015-11-15

    Combining ab initio modeling and {sup 57}Fe Mössbauer spectrometry, we characterized the nature of the chemical linkage of aminoalkyl arenediazonium salt on the surface of iron oxide nanoparticles. We established that it is built through a metal–oxygen–carbon bonding and not a metal–carbon one, as usually suggested and commonly observed in previously studied metal- or carbon-based surfaces.

  6. Surface chemistry of metals and their oxides in high temperature water

    International Nuclear Information System (INIS)

    Tomlinson, M.

    1975-01-01

    Examination of oxide and metal surfaces in water at high temperature by a broad spectrum of techniques is bringing understanding of corrosion product movement and alleviation of activity transport in CANDU-type reactor primary coolant circuits. (Author)

  7. Intrinsic stress evolution during amorphous oxide film growth on Al surfaces

    International Nuclear Information System (INIS)

    Flötotto, D.; Wang, Z. M.; Jeurgens, L. P. H.; Mittemeijer, E. J.

    2014-01-01

    The intrinsic stress evolution during formation of ultrathin amorphous oxide films on Al(111) and Al(100) surfaces by thermal oxidation at room temperature was investigated in real-time by in-situ substrate curvature measurements and detailed atomic-scale microstructural analyses. During thickening of the oxide a considerable amount of growth stresses is generated in, remarkably even amorphous, ultrathin Al 2 O 3 films. The surface orientation-dependent stress evolutions during O adsorption on the bare Al surfaces and during subsequent oxide-film growth can be interpreted as a result of (i) adsorption-induced surface stress changes and (ii) competing processes of free volume generation and structural relaxation, respectively

  8. Modification of implant material surface properties by means of oxide nano-structured coatings deposition

    Science.gov (United States)

    Safonov, Vladimir; Zykova, Anna; Smolik, Jerzy; Rogowska, Renata; Lukyanchenko, Vladimir; Kolesnikov, Dmitrii

    2014-08-01

    The deposition of functional coatings on the metal surface of artificial joints is an effective way of enhancing joint tribological characteristics. It is well-known that nanostructured oxide coatings have specific properties advantageous for future implant applications. In the present study, we measured the high hardness parameters, the adhesion strength and the low friction coefficient of the oxide magnetron sputtered coatings. The corrosion test results show that the oxide coating deposition had improved the corrosion resistance by a factor of ten for both stainless steel and titanium alloy substrates. Moreover, the hydrophilic nature of coated surfaces in comparison with the metal ones was investigated in the tensiometric tests. The surfaces with nanostructured oxide coatings demonstrated improved biocompatibility for in vitro and in vivo tests, attributed to the high dielectric constants and the high values of the surface free energy parameters.

  9. Surface electronic and structural properties of nanostructured titanium oxide grown by pulsed laser deposition

    NARCIS (Netherlands)

    Fusi, M.; Maccallini, E.; Caruso, T.; Casari, C. S.; Bassi, A. Li; Bottani, C. E.; Rudolf, P.; Prince, K. C.; Agostino, R. G.

    Titanium oxide nanostructured thin films synthesized by pulsed laser deposition (PLD) were here characterized with a multi-technique approach to investigate the relation between surface electronic, structural and morphological properties. Depending on the growth parameters, these films present

  10. Emissions of nitrous oxide and methane from surface and ground waters in Germany

    International Nuclear Information System (INIS)

    Hiessl, H.

    1993-01-01

    The paper provides a first estimation of the contribution of inland freshwater systems (surface waters and ground waters) to the emission of the greenhouse gases nitrous oxide and methane in Germany. These amounts are compared to other main sources for the emission of nitrous oxide and methane. (orig.) [de

  11. Enhanced magnetic properties of Fe soft magnetic composites by surface oxidation

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Guoliang; Wu, Chen, E-mail: chen_wu@zju.edu.cn; Yan, Mi, E-mail: mse_yanmi@zju.edu.cn

    2016-02-01

    Fe soft magnetic composites (SMCs) with low core loss were fabricated via surface oxidation of the Fe powders by H{sub 2}O and O{sub 2} at elevated temperatures. Surface oxidation prevents magnetic dilution due to the formation of the ferromagnetic iron oxide coating layer, giving rise to high magnetic flux density and effective permeability of the SMCs compared with those fabricated with traditional phosphate coating. Mechanism of the oxidation process has been investigated where Fe{sub 3}O{sub 4} forms by reactions of Fe with H{sub 2}O and O{sub 2}. The Fe{sub 3}O{sub 4} coating layer tends to convert into γ-Fe{sub 2}O{sub 3} with increased oxidation temperature and time. By controlling composition of the coating layer, low core loss of 688.9 mW/cm{sup 3} (measured at 50 mT and 100 kHz) and higher effective permeability of 88.3 can be achieved for the Fe SMCs. - Highlights: • Surface oxidation as a new method to fabricate Fe Soft magnetic composite (SMCs). • Oxidation mechanism revealed where Fe reacts with H2O and O2 at high temperatures. • Evolution of the iron oxide coating with growth temperature and time investigated. • The iron oxide insulation coating results in improved magnetic performance.

  12. Rapid Surface Sampling and Archival Record (RSSAR) system. Final report, October 1995--May 1997

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1998-12-31

    This report describes the results of Phase 2 efforts to develop a Rapid Surface Sampling and Archival Record (RSSAR) System for the detection of semivolatile organic contaminants on concrete, transite, and metal surfaces. The characterization of equipment and building surfaces for the presence of contaminants as part of building decontamination and decommissioning activities is an immensely large task of concern to both government and industry. Because of the high cost of hazardous waste disposal, old, contaminated buildings cannot simply be demolished and scrapped. Contaminated and clean materials must be clearly identified and segregated so that the clean material can be recycled or reused, if possible, or disposed of more cheaply as nonhazardous waste. DOE has a number of sites requiring surface characterization. These sites are large, contain very heterogeneous patterns of contamination (requiring high sampling density), and will thus necessitate an enormous number of samples to be taken and analyzed. Characterization of building and equipment surfaces will be needed during initial investigations, during cleanup operations, and during the final confirmation process, increasing the total number of samples well beyond that needed for initial characterization. This multiplicity of information places a premium on the ability to handle and track data as efficiently as possible.

  13. Rapid Surface Sampling and Archival Record (RSSAR) system. Final report, October 1995 - May 1997

    International Nuclear Information System (INIS)

    1998-01-01

    This report describes the results of Phase 2 efforts to develop a Rapid Surface Sampling and Archival Record (RSSAR) System for the detection of semivolatile organic contaminants on concrete, transite, and metal surfaces. The characterization of equipment and building surfaces for the presence of contaminants as part of building decontamination and decommissioning activities is an immensely large task of concern to both government and industry. Because of the high cost of hazardous waste disposal, old, contaminated buildings cannot simply be demolished and scrapped. Contaminated and clean materials must be clearly identified and segregated so that the clean material can be recycled or reused, if possible, or disposed of more cheaply as nonhazardous waste. DOE has a number of sites requiring surface characterization. These sites are large, contain very heterogeneous patterns of contamination (requiring high sampling density), and will thus necessitate an enormous number of samples to be taken and analyzed. Characterization of building and equipment surfaces will be needed during initial investigations, during cleanup operations, and during the final confirmation process, increasing the total number of samples well beyond that needed for initial characterization. This multiplicity of information places a premium on the ability to handle and track data as efficiently as possible

  14. NRC Information No. 88-98: Electrical relay degradation caused by oxidation of contact surfaces

    International Nuclear Information System (INIS)

    Rossi, C.E.

    1992-01-01

    The NRC staff was recently informed by Clinton Power Station that a reactor scram on June 24, 1988, was caused by an electrical relay failure from oxide buildup on relay contact surfaces. Other information on relay failure from contact oxidation indicates that this problem may be more prevalent than previously thought. For example, a July 17, 1988, 10 CFR Part 21 report from Palo Verde, Unit 2, reported relay failures from contact oxidation that were due to the low current application of the relays. The relay contact surfaces in both of these examples are silver-nickel alloys, and both applications were for low current (i.e., milli-ampere current). Electrical relay contacts made of silver-nickel or silver-cadmium alloys will oxidize (tarnish) when used in low current applications because of the absence of contact surface sparking from the typical relay contact ''making and breaking'' functions. The sparking in the contact surfaces promotes a self-cleaning mechanism that reduces the tarnish buildup on the silver-nickel or silver-cadmium contacts. Discussions with one relay manufacturer revealed that the normal industry practice for low current circuit applications is either to use a contact surface material that will not oxidize or to compensate for the oxidation by increased maintenance activities to ensure reliability. The applied voltage may also influence contact oxidation

  15. Correlation of Chemisorption and Electronic Effects for Metal Oxide Interfaces: Transducing Principles for Temperature Programmed Gas Microsensors. Final Report

    International Nuclear Information System (INIS)

    Semancik, S.; Cavicchi, R. E.; DeVoe, D. L.; McAvoy, T. J.

    2001-01-01

    This Final Report describes efforts and results for a 3-year DoE/OST-EMSP project centered at NIST. The multidisciplinary project investigated scientific and technical concepts critical for developing tunable, MEMS-based, gas and vapor microsensors that could be applied for monitoring the types of multiple analytes (and differing backgrounds) encountered at DoE waste sites. Micromachined ''microhotplate'' arrays were used as platforms for fabricating conductometric sensor prototypes, and as microscale research tools. Efficient microarray techniques were developed for locally depositing and then performance evaluating thin oxide films, in order to correlate gas sensing characteristics with properties including composition, microstructure, thickness and surface modification. This approach produced temperature-dependent databases on the sensitivities of sensing materials to varied analytes (in air) which enable application-specific tuning of microsensor arrays. Mechanistic studies on adsorb ate transient phenomena were conducted to better understand the ways in which rapid temperature programming schedules can be used to produce unique response signatures and increase information density in microsensor signals. Chemometric and neural network analyses were also employed in our studies for recognition and quantification of target analytes

  16. Surface engineering of one-dimensional tin oxide nanostructures for chemical sensors

    International Nuclear Information System (INIS)

    Ma, Yuanyuan; Qu, Yongquan; Zhou, Wei

    2013-01-01

    Nanostructured materials are promising candidates for chemical sensors due to their fascinating physicochemical properties. Among various candidates, tin oxide (SnO 2 ) has been widely explored in gas sensing elements due to its excellent chemical stability, low cost, ease of fabrication and remarkable reproducibility. We are presenting an overview on recent investigations on 1-dimensional (1D) SnO 2 nanostructures for chemical sensing. In particular, we focus on the performance of devices based on surface engineered SnO 2 nanostructures, and on aspects of morphology, size, and functionality. The synthesis and sensing mechanism of highly selective, sensitive and stable 1D nanostructures for use in chemical sensing are discussed first. This is followed by a discussion of the relationship between the surface properties of the SnO 2 layer and the sensor performance from a thermodynamic point of view. Then, the opportunities and recent progress of chemical sensors fabricated from 1D SnO 2 heterogeneous nanostructures are discussed. Finally, we summarize current challenges in terms of improving the performance of chemical (gas) sensors using such nanostructures and suggest potential applications. (author)

  17. Atomic Scale Structure-Chemistry Relationships at Oxide Catalyst Surfaces and Interfaces

    Science.gov (United States)

    McBriarty, Martin E.

    Oxide catalysts are integral to chemical production, fuel refining, and the removal of environmental pollutants. However, the atomic-scale phenomena which lead to the useful reactive properties of catalyst materials are not sufficiently understood. In this work, the tools of surface and interface science and electronic structure theory are applied to investigate the structure and chemical properties of catalytically active particles and ultrathin films supported on oxide single crystals. These studies focus on structure-property relationships in vanadium oxide, tungsten oxide, and mixed V-W oxides on the surfaces of alpha-Al2O3 and alpha-Fe2O 3 (0001)-oriented single crystal substrates, two materials with nearly identical crystal structures but drastically different chemical properties. In situ synchrotron X-ray standing wave (XSW) measurements are sensitive to changes in the atomic-scale geometry of single crystal model catalyst surfaces through chemical reaction cycles, while X-ray photoelectron spectroscopy (XPS) reveals corresponding chemical changes. Experimental results agree with theoretical calculations of surface structures, allowing for detailed electronic structure investigations and predictions of surface chemical phenomena. The surface configurations and oxidation states of V and W are found to depend on the coverage of each, and reversible structural shifts accompany chemical state changes through reduction-oxidation cycles. Substrate-dependent effects suggest how the choice of oxide support material may affect catalytic behavior. Additionally, the structure and chemistry of W deposited on alpha-Fe 2O3 nanopowders is studied using X-ray absorption fine structure (XAFS) measurements in an attempt to bridge single crystal surface studies with real catalysts. These investigations of catalytically active material surfaces can inform the rational design of new catalysts for more efficient and sustainable chemistry.

  18. Occupational exposure to ethylene oxide--OSHA. Final rule: supplemental statement of reasons.

    Science.gov (United States)

    1985-01-02

    On June 22, 1984, the Occupational Safety and Health Administration (OSHA) published a final standard for ethylene oxide (EtO) that established a permissible exposure limit of 1 part EtO per million parts of air determined as an 8-hour time--weighted average (TWA) concentration (29 CFR 1910.1047, 49 FR 25734). The standard also includes provisions for methods of exposure control, personal protective equipment, measurement of employee exposure, training, signs, and labels, medical surveillance, regulated areas, emergencies and recordkeeping. The basis for this action was a determination by OSHA, based on human and animal data, that exposure to EtO presents a carcinogenic, mutagenic, genotoxic, reproductive, neurologic, and sensitization hazard to workers. During the rulemaking proceedings that led to the establishment of the 1 ppm TWA, the issue of whether there was a need for a short-term exposure limit (STEL) for workers protection from EtO was raised. OSHA reserved decision on the adoption of a STEL at the conclusion of the rulemaking in order to permit peer review of the available evidence and to review more fully the arguments and pertinent data regarding the STEL issue. Upon receipt of the analyses from most of the peer reviewers, OSHA published a notice to that effect on September 19, 1984 (49 FR 36659) and invited public comment on the pertinent issues addressed in the peer reviews. Based on the entire rulemaking record, including the peer reviews and public comments received since June 22, the Assistant Secretary has determined that adoption of a STEL for EtO is not warranted by the available health evidence, and that a STEL is not reasonably necessary or appropriate for inclusion in the final EtO standard. OSHA has also asked that NIOSH fund certain additional studies related to whether a dose-rate relationship can be established for EtO, and OSHA will review the results of those studies when they become available.

  19. Studies of surface states in zinc oxide nanopowders

    Science.gov (United States)

    Peters, Raul Mugabe

    The surface of ZnO semiconductor nanosystems is a key performance-defining factor in numerous applications. In this work we present experimental results for the surface defect-related properties of ZnO nanoscale systems. Surface photovoltage spectroscopy was used to determine the defect level energies within the band gap, the conduction vs. valence band nature of the defect-related transitions, and to probe key dynamic parameters of the surface on a number of commercially available ZnO nanopowders. In our experimental setup, surface photovoltage characterization is conducted in high vacuum in tandem with in situ oxygen remote plasma treatments. Surface photovoltage investigations of the as-received and plasma-processed samples revealed a number of common spectral features related to surface states. Furthermore, we observed significant plasma-induced changes in the surface defect properties. Ex situ positron annihilation and photoluminescence measurements were performed on the studied samples and correlated with surface photovoltage results. The average positron lifetimes were found to be substantially longer than in a bulk single crystalline sample, which is consistent with the model of grains with defect-rich surface and subsurface layers. Compression of the powders into pellets yielded reduction of the average positron lifetimes. Surface photovoltage, positron annihilation, and photoluminescence spectra consistently showed sample-to-sample differences due to the variation in the overall quality of the nanopowders, which partially obscures observation of the scaling effects. However, the results demonstrated that our approach is efficient in detecting specific surface states in nanoscale ZnO specimens and in elucidating their nature.

  20. On-Demand Final State Control of a Surface-Bound Bistable Single Molecule Switch.

    Science.gov (United States)

    Garrido Torres, José A; Simpson, Grant J; Adams, Christopher J; Früchtl, Herbert A; Schaub, Renald

    2018-04-12

    Modern electronic devices perform their defined action because of the complete reliability of their individual active components (transistors, switches, diodes, and so forth). For instance, to encode basic computer units (bits) an electrical switch can be used. The reliability of the switch ensures that the desired outcome (the component's final state, 0 or 1) can be selected with certainty. No practical data storage device would otherwise exist. This reliability criterion will necessarily need to hold true for future molecular electronics to have the opportunity to emerge as a viable miniaturization alternative to our current silicon-based technology. Molecular electronics target the use of single-molecules to perform the actions of individual electronic components. On-demand final state control over a bistable unimolecular component has therefore been one of the main challenges in the past decade (1-5) but has yet to be achieved. In this Letter, we demonstrate how control of the final state of a surface-supported bistable single molecule switch can be realized. On the basis of the observations and deductions presented here, we further suggest an alternative strategy to achieve final state control in unimolecular bistable switches.

  1. Electrochemical Properties of High Surface Area Vanadium Oxide Aerogels

    National Research Council Canada - National Science Library

    Dong, Winny

    2001-01-01

    .... Traditional composite electrode structures have prevented truly quantitative analysis of surface area effects in nanoscale battery materials, as well as a study of their innate electrochemical behavior...

  2. Surface modification of indium tin oxide for direct writing of silver nanoparticulate ink micropatterns

    International Nuclear Information System (INIS)

    Vunnam, Swathi; Ankireddy, Krishnamraju; Kellar, Jon; Cross, William

    2013-01-01

    Surface treatment techniques were deployed to alter the surface of indium tin oxide (ITO) samples to attain a favorable interface between printed nano-inks and ITO surface. Surface free energy components of treated ITO substrates were calculated for each treatment using the van Oss–Chaudhury–Good method. The surface treatments of ITO changed the Lifshitz–van der Waals and Lewis acid–base components, and contact angle hysteresis significantly. Among all the surface treatments, air plasma treated samples showed high polar in nature, whereas dodecyltrichlorosilane self-assembled monolayer treated sample showed the lowest. In addition to the polarity and homogeneity, the surface roughness of the ITO was studied with respect to the surface treatment. Silver nanoparticulate ink was printed on treated ITO surfaces using aerosol jet printing system. Printed silver nano-ink line width and morphology strongly depended on the surface treatment of the ITO, ink properties and printing parameters. - Highlights: ► Surface treatments on indium tin oxide (ITO) altered its surface free energy. ► Surface free energies were studied in terms of acid–base components. ► ITO surface morphology and roughness were changed with the surface treatment. ► Silver ink was printed on treated ITO samples using aerosol jet printing system. ► Line widths of printed patterns clearly depended on the surface free energy of ITO

  3. Surface modification of indium tin oxide for direct writing of silver nanoparticulate ink micropatterns

    Energy Technology Data Exchange (ETDEWEB)

    Vunnam, Swathi, E-mail: swathi.vunnam@mines.sdsmt.edu [Nanoscience and Nanoengineering Department, South Dakota School of Mines and Technology, Rapid City, SD-57701 (United States); Ankireddy, Krishnamraju; Kellar, Jon; Cross, William [Department of Materials and Metallurgical Engineering, South Dakota School of Mines and Technology, Rapid City, SD-57701 (United States)

    2013-03-01

    Surface treatment techniques were deployed to alter the surface of indium tin oxide (ITO) samples to attain a favorable interface between printed nano-inks and ITO surface. Surface free energy components of treated ITO substrates were calculated for each treatment using the van Oss–Chaudhury–Good method. The surface treatments of ITO changed the Lifshitz–van der Waals and Lewis acid–base components, and contact angle hysteresis significantly. Among all the surface treatments, air plasma treated samples showed high polar in nature, whereas dodecyltrichlorosilane self-assembled monolayer treated sample showed the lowest. In addition to the polarity and homogeneity, the surface roughness of the ITO was studied with respect to the surface treatment. Silver nanoparticulate ink was printed on treated ITO surfaces using aerosol jet printing system. Printed silver nano-ink line width and morphology strongly depended on the surface treatment of the ITO, ink properties and printing parameters. - Highlights: ► Surface treatments on indium tin oxide (ITO) altered its surface free energy. ► Surface free energies were studied in terms of acid–base components. ► ITO surface morphology and roughness were changed with the surface treatment. ► Silver ink was printed on treated ITO samples using aerosol jet printing system. ► Line widths of printed patterns clearly depended on the surface free energy of ITO.

  4. Analysis of anti-condensation mechanism on superhydrophobic anodic aluminum oxide surface

    International Nuclear Information System (INIS)

    Wu, Yanpeng; Zhang, Chaoying

    2013-01-01

    Wetting theory about superhydrophobic surfaces reveals that hydrophobicity of surfaces has great relationship with surface roughness and surface free energy. Adopt electrochemical plus fluorine silane modified method to prepare superhydrophobic surface on anodic aluminum oxide surface, which not only enhances surface roughness, but also reduces surface free energy, even the static contact angle can reach 159.2° and anti-condensation is authenticated. Based on the experimental findings, analyze the reason of anti-condensation on superhydrophobic surfaces: one is that the density of droplets formed on superhydrophobic surfaces is low and the number of droplets is little; the other is bigger static contact angle and smaller rolling angle on superhydrophobic surfaces make droplets easy to detach on smaller tilt angle. This research can solve some condensation problems of equipment using in HVAC systems, such as heat exchangers in air conditioning system, cold radiation boards, air supply outlets, and so on. Highlights: • Prepare superhydrophobic surface on anodic aluminum oxide surface. • Analyze the reason of anti-condensation on superhydrophobic surfaces. • The density of droplets formed on superhydrophobic surfaces is low. • Droplets on superhydrophobic surfaces are easy to detach. • This research can solve some problems of equipment using in HVAC systems

  5. Trends in Metal Oxide Stability for Nanorods, Nanotubes, and Surfaces

    DEFF Research Database (Denmark)

    Mowbray, Duncan; Martinez, Jose Ignacio; Vallejo, Federico Calle

    2011-01-01

    The formation energies of nanostructures play an important role in determining their properties, including their catalytic activity. For the case of 15 different rutile and 8 different perovskite metal oxides, we used density functional theory (DFT) to calculate the formation energies of (2,2) na...

  6. Modification on surface oxide layer structure and surface morphology of niobium by gas cluster ion beam treatments

    International Nuclear Information System (INIS)

    Wu, A.T.; Swenson, D.R.; Insepov, Z.

    2010-01-01

    Recently, it was demonstrated that significant reductions in field emission on Nb surfaces could be achieved by means of a new surface treatment technique called gas cluster ion beam (GCIB). Further study as shown in this paper revealed that GCIB treatments could modify surface irregularities and remove surface asperities leading to a smoother surface finish as demonstrated through measurements using a 3D profilometer, an atomic force microscope, and a scanning electron microscope. These experimental observations were supported by computer simulation via atomistic molecular dynamics and a phenomenological surface dynamics. Measurements employing a secondary ion mass spectrometry found that GCIB could also alter Nb surface oxide layer structure. Possible implications of the experimental results on the performance of Nb superconducting radio frequency cavities treated by GCIB will be discussed. First experimental results on Nb single cell superconducting radio frequency cavities treated by GCIB will be reported.

  7. Surfactant-assisted growth of anodic nanoporous niobium oxide with a grained surface

    Energy Technology Data Exchange (ETDEWEB)

    Yoo, Jeong Eun [Department of Chemical Engineering, Inha University, 253 Yonghyun Dong, Nam-Gu, Incheon 402-751 (Korea, Republic of); Choi, Jinsub, E-mail: jinsub@inha.ac.k [Department of Chemical Engineering, Inha University, 253 Yonghyun Dong, Nam-Gu, Incheon 402-751 (Korea, Republic of)

    2010-07-15

    Nanoporous niobium oxide film with a maximum thickness of 520 nm was prepared by anodizing niobium in a mixture of 1 wt% HF, 1 M H{sub 3}PO{sub 4}, and a small amount of Sodium Dodecyl Sulfate (SDS) surfactant. The porosity of the anodic niobium oxide prepared without SDS is irregular with the surface of the oxide suggesting a grained surface pattern rather than an ordered porous structure. A proper amount of SDS addition can prepare a pore arrangement with stripe patterns. The pore depth and surface pattern were strongly affected by the concentration of SDS and bath temperature. We found that the addition of SDS surfactant facilitated improvement in the chemical resistance of niobium oxide, leading to the formation of pores with a longer length compared to those prepared without a SDS surfactant. This can be in part ascribed to the protection of the surface by the physical adsorption of SDS on the surface due to a charge-charge interaction and be in part attributed to the formation of Nb=O bonding on the outermost oxide layer by SDS. When anodization was carried out for 4 h, the surface dissolution of niobium oxide was observed, which means that the maximum tolerance time against chemical dissolution was less than 4 h.

  8. Theoretical studies of positron states and annihilation characteristics at the oxidized Cu(100) surface

    Energy Technology Data Exchange (ETDEWEB)

    Fazleev, N. G. [Department of Physics, Box 19059, University of Texas at Arlington, Arlington Texas 76019 (United States) and Institute of Physics, Kazan Federal University, Kremlevskaya18, Kazan 420008 (Russian Federation); Weiss, A. H. [Department of Physics, Box 19059, University of Texas at Arlington, Arlington Texas 76019 (United States)

    2013-04-19

    In this work we present the results of theoretical studies of positron surface and bulk states and annihilation probabilities of surface-trapped positrons with relevant core electrons at the oxidized Cu(100) surface under conditions of high oxygen coverage. An ab-initio study of the electronic properties of the Cu(100) missing row reconstructed surface at various on surface and sub-surface oxygen coverages has been performed on the basis of the density functional theory (DFT) using the Dmol3 code and the generalized gradient approximation (GGA). Surface structures in calculations have been constructed by adding oxygen atoms to various surface hollow and sub-surface octahedral sites of the 0.5 monolayer (ML) missing row reconstructed phase of the Cu(100) surface with oxygen coverages ranging from 0.5 to 1.5 ML. The charge redistribution at the surface and variations in atomic structure and chemical composition of the topmost layers associated with oxidation and surface reconstruction have been found to affect the spatial extent and localization of the positron surface state wave function and annihilation probabilities of surface trapped positrons with relevant core electrons. Theoretical results are compared with experimental data obtained from studies of oxidation of the Cu(100) surface using positron annihilation induced Auger electron spectroscopy (PAES). It has been shown that positron annihilation probabilities with Cu 3s and 3p core electrons decrease when total (on-surface and sub-surface) oxygen coverage of the Cu(100) surface increases up to 1 ML. The calculations show that for high oxygen coverage when total oxygen coverage is 1. 5 ML the positron is not bound to the surface.

  9. Study of the chemistry of sulfur- and nitrogen oxides at fluidized bed combustion. Final report

    International Nuclear Information System (INIS)

    Lindqvist, O.

    1995-01-01

    Research has been carried out concerning chemistry of nitrogen and sulfur oxides, with relevance to fluidized bed combustion. Studies of the heterogeneous decomposition reactions of NO and N 2 O molecules have also been carried out. The effect of O 2 on the heterogeneous reactions has been investigated and the results indicate that NO can deteriorate only in the reducing zones of a FBC. The formation of NO and N 2 O as well as the question of what parameters affect this formation have been studied in a series of combustion experiments. In addition, it has also been demonstrated that the volatiles and the char are about equally important for the NO and N 2 O formation. Quantum chemical calculations have been used to study the surface processes of the nitrogen oxides. Investigations of the desulfurization reactions at high percentages of CO 2 with special regard to the PFBC technique have been made. In addition, the same reaction has been studied with e.g. spectroscopic methods at normal CO 2 percentages, but with varying amounts of O 2 and CO. CaSO 3 has been demonstrated to be an intermediary and CaS as being one of the products. An important part of the project activities is the analytical work which primarily supports the full scale experiments on the 12 MW th CTH FBC boiler. As a link between the CTH boiler and our analytical laboratory, a chemical engineer also has been employed. In this activity is also included the development of sampling and analytical methods, e.g. NH 3 and HCN sampling in the combustor. Time has also been allocated to measuring corrosive alkali metals (Na and K) in flue gases from a PFBC plant. 29 refs, 4 figs, 1 tab

  10. Water reactivity with mixed oxide (U,Pu)O2 surfaces

    International Nuclear Information System (INIS)

    Gaillard, Jeremy

    2013-01-01

    The interaction of water with actinides oxide surfaces remains poorly understood. The adsorption of water on PuO 2 surface and (U,Pu)O 2 surface leads to hydrogen generation through radiolysis but also surface evolution. The study of water interaction with mixed oxide (U,Pu)O 2 and PuO 2 surfaces requires the implementation of non intrusive techniques. The study of the hydration of CeO 2 surface is used to study the effectiveness of different techniques. The results show that the water adsorption leads to the surface evolution through the formation of a hydroxide superficial layer. The reactivity of water on the surface depends on the calcination temperature of the oxide precursor. The thermal treatment of hydrated surfaces can regenerate the surface. The study on CeO 2 hydration emphasizes the relevancies of these techniques in studying the hydration of surfaces. The hydrogen generation through water radiolysis is studied with an experimental methodology based on constant relative humidity in the radiolysis cell. The hydrogen accumulation is linear for the first hours and then tends to a steady state content. A mechanism of hydrogen consumption is proposed to explain the existence of the steady state of hydrogen content. This mechanism enables to explain also the evolution of the oxide surface during hydrogen generation experiments as shown by the evolution of hydrogen accumulation kinetics. The accumulation kinetics depends on the dose rate, specific surface area and the relative humidity but also on the oxide aging. The plutonium percentage appears to be a crucial parameter in hydrogen accumulation kinetics. (author) [fr

  11. Microstructuring of thermo-mechanically highly stressed surfaces final report of the DFG research group 576

    CERN Document Server

    Rienäcker, Adrian; Knoll, Gunter; Bach, Friedrich-Wilhelm; Maier, Hans; Reithmeier, Eduard; Dinkelacker, Friedrich

    2015-01-01

    This contributed volume presents the final research results of the DFG Research Group 576, which is a joint initiative of five different institutes of the Leibniz Universität Hannover and the Universität Kassel, Germany. The research of the DFG Research Group 576 focuses on improving the tribological behavior of thermomechanically highly stressed surfaces, particularly on cylinder liner for combustion engines. The target audience primarily comprises researchers and experts in the field but the book may also be beneficial for graduate students who want to specialize in the field.

  12. Friction stir processed Al - Metal oxide surface composites: Anodization and optical appearance

    DEFF Research Database (Denmark)

    Gudla, Visweswara Chakravarthy; Jensen, Flemming; Canulescu, Stela

    2014-01-01

    Multiple-pass friction stir processing (FSP) was employed to impregnate metal oxide (TiO2, Y2O3 and CeO2) particles into the surface of an Aluminium alloy. The surface composites were then anodized in a sulphuric acid electrolyte. The effect of anodizing parameters on the resulting optical...... dark to greyish white. This is attributed to the localized microstructural and morphological differences around the metal oxide particles incorporated into the anodic alumina matrix. The metal oxide particles in the FSP zone electrochemically shadowed the underlying Al matrix and modified the local...

  13. Dye-Sensitized Solar Cells Based on High Surface Area Nanocrystalline Zinc Oxide Spheres

    Directory of Open Access Journals (Sweden)

    Pavuluri Srinivasu

    2011-01-01

    Full Text Available High surface area nanocrystalline zinc oxide material is fabricated using mesoporous nanostructured carbon as a sacrificial template through combustion process. The resulting material is characterized by XRD, N2 adsorption, HR-SEM, and HR-TEM. The nitrogen adsorption measurement indicates that the materials possess BET specific surface area ca. 30 m2/g. Electron microscopy images prove that the zinc oxide spheres possess particle size in the range of 0.12 μm–0.17 μm. The nanocrystalline zinc oxide spheres show 1.0% of energy conversion efficiency for dye-sensitized solar cells.

  14. Pt-Si Bifunctional Surfaces for CO and Methanol Electro-Oxidation

    DEFF Research Database (Denmark)

    Permyakova, Anastasia A.; Han, Binghong; Jensen, Jens Oluf

    2015-01-01

    and storage. Here we report on Pt-Si bulk samples prepared by arc-melting, for the first time, with high activities toward the electro-oxidation of CO and methanol. Increasing the Si concentration on the surface was correlated with the shifts of onset oxidation potentials to lower values and higher activities...... for CO and methanol electro-oxidation. It is proposed that the reaction on the Pt-Si catalyst could follow a Langmuir-Hinshelwood type of mechanism, where substantially enhanced catalytic activity is attributed to the fine-tuning of the surface Pt-Si atomic structure....

  15. Studies of high coverage oxidation of the Cu(100) surface using low energy positrons

    Science.gov (United States)

    Fazleev, N. G.; Maddox, W. B.; Weiss, A. H.

    2012-02-01

    The study of oxidation of single crystal metal surfaces is important in understanding the corrosive and catalytic processes associated with thin film metal oxides. The structures formed on oxidized transition metal surfaces vary from simple adlayers of chemisorbed oxygen to more complex structures which result from the diffusion of oxygen into subsurface regions. In this work we present the results of theoretical studies of positron surface and bulk states and annihilation probabilities of surface-trapped positrons with relevant core electrons at the oxidized Cu(100) surface under conditions of high oxygen coverage. Calculations are performed for various high coverage missing row structures ranging between 0.50 and 1.50 ML oxygen coverage. The results of calculations of positron binding energy, positron work function, and annihilation characteristics of surface trapped positrons with relevant core electrons as function of oxygen coverage are compared with experimental data obtained from studies of oxidation of the Cu(100) surface using positron annihilation induced Auger electron spectroscopy (PAES).

  16. Nonaqueous electrocatalytic water oxidation by a surface-bound Ru(bda)(L)₂ complex.

    Science.gov (United States)

    Sheridan, Matthew V; Sherman, Benjamin D; Wee, Kyung-Ryang; Marquard, Seth L; Gold, Alexander S; Meyer, Thomas J

    2016-04-21

    The rate of electrocatalytic water oxidation by the heterogeneous water oxidation catalyst [Ru(bda)(4-O(CH2)3P(O3H2)2-pyr)2], , (pyr = pyridine; bda = 2,2'-bipyridine-6,6'-dicarboxylate) on metal oxide surfaces is greatly enhanced relative to water as the solvent. In these experiments with propylene carbonate (PC) as the nonaqueous solvent, water is the limiting reagent. Mechanistic studies point to atom proton transfer (APT) as the rate limiting step in water oxidation catalysis.

  17. High-Resolution Electron Energy Loss Studies of Oxygen, Hydrogen, Nitrogen, Nitric Oxide, and Nitrous Oxide Adsorption on Germanium Surfaces.

    Science.gov (United States)

    Entringer, Anthony G.

    The first high resolution electron energy loss spectroscopy (HREELS) studies of the oxidation and nitridation of germanium surfaces are reported. Both single crystal Ge(111) and disordered surfaces were studied. Surfaces were exposed to H, O_2, NO, N _2O, and N, after cleaning in ultra-high vacuum. The Ge surfaces were found to be non-reactive to molecular hydrogen (H_2) at room temperature. Exposure to atomic hydrogen (H) resulted hydrogen adsorption as demonstrated by the presence of Ge-H vibrational modes. The HREEL spectrum of the native oxide of Ge characteristic of nu -GeO_2 was obtained by heating the oxide to 200^circC. Three peaks were observed at 33, 62, and 106 meV for molecular oxygen (O_2) adsorbed on clean Ge(111) at room temperature. These peaks are indicative of dissociative bonding and a dominant Ge-O-Ge bridge structure. Subsequent hydrogen exposure resulted in a shift of the Ge-H stretch from its isolated value of 247 meV to 267 meV, indicative of a dominant +3 oxidation state. A high density of dangling bonds and defects and deeper oxygen penetration at the amorphous Ge surface result in a dilute bridge structure with a predominant +1 oxidation state for similar exposures. Molecules of N_2O decompose at the surfaces to desorbed N_2 molecules and chemisorbed oxygen atoms. In contrast, both oxygen and nitrogen are detected at the surfaces following exposure to NO molecules. Both NO and N_2O appear to dissociate and bond at the top surface layer. Molecular nitrogen (N_2) does not react with the Ge surfaces, however, a precursor Ge nitride is observed at room temperature following exposure to nitrogen atoms and ions. Removal of oxygen by heating of the NO-exposed surface to 550^circC enabled the identification of the Ge-N vibrational modes. These modes show a structure similar to that of germanium nitride. This spectrum is also identical to that of the N-exposed surface heated to 550^circC. Surface phonon modes of the narrow-gap semiconducting

  18. Ester oxidation on an aluminum surface using chemiluminescence

    Science.gov (United States)

    Jones, William R., Jr.; Meador, Michael A.; Morales, Wilfredo

    1986-01-01

    The oxidation characteristics of a pure ester (trimethyolpropane triheptanoate) were studied by using a chemiluminescence technique. Tests were run in a thin film microoxidation apparatus with an aluminum alloy catalyst. Conditions included a pure oxygen atmosphere and a temperature range of 176 to 206 C. Results indicated that oxidation of the ester (containing .001 M diphenylanthracene as an intensifier) was accompanied by emission of light. The maximum intensity of light emission was a function of the amount of ester, the concentration of intensifier, and the test temperature. The induction period, or the time to reach one-half of maximum intensity was inversely proportional to test temperature. Decreases in light emission at the later stages of a test were caused by depletion of the intensifier.

  19. In-vacuum scattered light reduction with black cupric oxide surfaces for sensitive fluorescence detection.

    Science.gov (United States)

    Norrgard, E B; Sitaraman, N; Barry, J F; McCarron, D J; Steinecker, M H; DeMille, D

    2016-05-01

    We demonstrate a simple and easy method for producing low-reflectivity surfaces that are ultra-high vacuum compatible, may be baked to high temperatures, and are easily applied even on complex surface geometries. Black cupric oxide (CuO) surfaces are chemically grown in minutes on any copper surface, allowing for low-cost, rapid prototyping, and production. The reflective properties are measured to be comparable to commercially available products for creating optically black surfaces. We describe a vacuum apparatus which uses multiple blackened copper surfaces for sensitive, low-background detection of molecules using laser-induced fluorescence.

  20. Identifying active surface phases for metal oxide electrocatalysts: a study of manganese oxide bi-functional catalysts for oxygen reduction and water oxidation catalysis

    DEFF Research Database (Denmark)

    Su, Hai-Yan; Gorlin, Yelena; Man, Isabela Costinela

    2012-01-01

    Progress in the field of electrocatalysis is often hampered by the difficulty in identifying the active site on an electrode surface. Herein we combine theoretical analysis and electrochemical methods to identify the active surfaces in a manganese oxide bi-functional catalyst for the oxygen...... reduction reaction (ORR) and the oxygen evolution reaction (OER). First, we electrochemically characterize the nanostructured α-Mn2O3 and find that it undergoes oxidation in two potential regions: initially, between 0.5 V and 0.8 V, a potential region relevant to the ORR and, subsequently, between 0.8 V...

  1. Intermolecular potential energy surface and thermophysical properties of ethylene oxide.

    Science.gov (United States)

    Crusius, Johann-Philipp; Hellmann, Robert; Hassel, Egon; Bich, Eckard

    2014-10-28

    A six-dimensional potential energy hypersurface (PES) for two interacting rigid ethylene oxide (C2H4O) molecules was determined from high-level quantum-chemical ab initio calculations. The counterpoise-corrected supermolecular approach at the MP2 and CCSD(T) levels of theory was utilized to determine interaction energies for 10178 configurations of two molecules. An analytical site-site potential function with 19 sites per ethylene oxide molecule was fitted to the interaction energies and fine tuned to agree with data for the second acoustic virial coefficient from accurate speed of sound measurements. The PES was validated by computing the second virial coefficient, shear viscosity, and thermal conductivity. The values of these properties are substantiated by the best experimental data as they tend to fall within the uncertainty intervals and also obey the experimental temperature functions, except for viscosity, where experimental data are insufficient. Due to the lack of reliable data, especially for the transport properties, our calculated values are currently the most accurate estimates for these properties of ethylene oxide.

  2. Surface Oxidation of the High-Strength Steels Electrodeposited with Cu or Fe and the Resultant Defect Formation in Their Coating during the Following Galvanizing and Galvannealing Processes

    Science.gov (United States)

    Choi, Yun-Il; Beom, Won-Jin; Park, Chan-Jin; Paik, Doojin; Hong, Moon-Hi

    2010-12-01

    This study examined the surface oxidation of high-strength steels electrodeposited with Cu or Fe and the resultant defect formation in their coating during the following galvanizing and galvannealing processes. The high-strength steels were coated with an Cu or Fe layer by the electroplating method. Then, the coated steels were annealed in a reducing atmosphere, dipped in a molten zinc, and finally transformed into galvannealed steels through the galvannealing process. The formation of Si and Mn oxides on the surface of the high-strength steel was effectively suppressed, and the density of surface defects on the galvanized steel was significantly reduced by the pre-electrodeposition of Cu and Fe. This effect was more prominent for the steels electrodeposited at higher cathodic current densities. The finer electrodeposit layer formed at higher cathodic current density on the steels enabled the suppression of partial surface oxidation by Mn or Si and better wetting of Zn on the surface of the steels in the following galvanizing process. Furthermore, the pre-electrodeposited steels exhibited a smoother surface without surface cracks after the galvannealing process compared with the untreated steel. The diffusion of Fe and Zn in the Zn coating layer in the pre-electrodeposited steels appears to occur more uniformly during the galvannealing process due to the low density of surface defects induced by oxides.

  3. Simple quantification of surface carboxylic acids on chemically oxidized multi-walled carbon nanotubes

    Science.gov (United States)

    Gong, Hyejin; Kim, Seong-Taek; Lee, Jong Doo; Yim, Sanggyu

    2013-02-01

    The surface of multi-walled carbon nanotube (MWCNT) was chemically oxidized using nitric acid and sulfuric-nitric acid mixtures. Thermogravimetric analysis, transmission electron microscopy and infrared spectroscopy revealed that the use of acid mixtures led to higher degree of oxidation. More quantitative identification of surface carboxylic acids was carried out using X-ray photoelectron spectroscopy (XPS) and acid-base titration. However, these techniques are costly and require very long analysis times to promptly respond to the extent of the reaction. We propose a much simpler method using pH measurements and pre-determined pKa value in order to estimate the concentration of carboxylic acids on the oxidized MWCNT surfaces. The results from this technique were consistent with those obtained from XPS and titration, and it is expected that this simple quantification method can provide a cheap and fast way to monitor and control the oxidation reaction of MWCNT.

  4. Local electrical properties of thermally grown oxide films formed on duplex stainless steel surfaces

    Science.gov (United States)

    Guo, L. Q.; Yang, B. J.; He, J. Y.; Qiao, L. J.

    2018-06-01

    The local electrical properties of thermally grown oxide films formed on ferrite and austenite surfaces of duplex stainless steel at different temperatures were investigated by Current sensing atomic force microscopy, X-ray Photoelectron Spectroscopy (XPS) and Auger Electron Spectroscopy (AES). The current maps and XPS/AES analyses show that the oxide films covering austenite and ferrite surfaces formed at different temperatures exhibit different local electrical characteristics, thickness and composition. The dependence of electrical conductivity of oxide films covering austenite and ferrite surface on the formation temperature is attributed to the film thickness and semiconducting structures, which is intrinsically related to thermodynamics and kinetics process of film grown at different temperature. This is well elucidated by corresponding semiconductor band structures of oxide films formed on austenite and ferrite phases at different temperature.

  5. Development of a classical force field for the oxidized Si surface: application to hydrophilic wafer bonding.

    Science.gov (United States)

    Cole, Daniel J; Payne, Mike C; Csányi, Gábor; Spearing, S Mark; Colombi Ciacchi, Lucio

    2007-11-28

    We have developed a classical two- and three-body interaction potential to simulate the hydroxylated, natively oxidized Si surface in contact with water solutions, based on the combination and extension of the Stillinger-Weber potential and of a potential originally developed to simulate SiO(2) polymorphs. The potential parameters are chosen to reproduce the structure, charge distribution, tensile surface stress, and interactions with single water molecules of a natively oxidized Si surface model previously obtained by means of accurate density functional theory simulations. We have applied the potential to the case of hydrophilic silicon wafer bonding at room temperature, revealing maximum room temperature work of adhesion values for natively oxidized and amorphous silica surfaces of 97 and 90 mJm(2), respectively, at a water adsorption coverage of approximately 1 ML. The difference arises from the stronger interaction of the natively oxidized surface with liquid water, resulting in a higher heat of immersion (203 vs 166 mJm(2)), and may be explained in terms of the more pronounced water structuring close to the surface in alternating layers of larger and smaller densities with respect to the liquid bulk. The computed force-displacement bonding curves may be a useful input for cohesive zone models where both the topographic details of the surfaces and the dependence of the attractive force on the initial surface separation and wetting can be taken into account.

  6. Oxidative Corrosion of the UO 2 (001) Surface by Nonclassical Diffusion

    Energy Technology Data Exchange (ETDEWEB)

    Stubbs, Joanne E.; Biwer, Craig A.; Chaka, Anne M. [Pacific Northwest; Ilton, Eugene S. [Pacific Northwest; Du, Yingge [Pacific Northwest; Bargar, John R. [Stanford Synchrotron; Eng, Peter J.

    2017-11-07

    Uranium oxide is central to every stage of the nuclear fuel cycle, from mining through fuel fabrication and use, to waste disposal and environmental cleanup. Its chemical and mechanical stability are intricately linked to the concentration of interstitial O atoms within the structure and the oxidation state of U. We have previously shown that during corrosion of the UO2 (111) surface under either 1 atm O2 gas or oxygenated water at room temperature, oxygen interstitials diffuse into the substrate to form a superlattice with three-layer periodicity. In the current study, we present results from surface x-ray scattering that reveal the structure of the oxygen diffusion profile beneath the (001) surface. The first few layers below the surface oscillate strongly in their surface-normal lattice parameters, suggesting preferential interstitial occupation of every other layer below the surface, which is geometrically consistent with the interstitial network that forms below the oxidized (111) surface. Deeper layers are heavily contracted and indicate that the oxidation front penetrates ~52 Å below the (001) surface after 21 days of dry O2 gas exposure at ambient pressure and temperature. X-ray photoelectron spectroscopy indicates U is present as U(IV), U(V), and U(VI).

  7. Ion bombardment effects on surface states in selected oxide systems: rutile and alkaline earth titanates

    International Nuclear Information System (INIS)

    Gruen, D.M.

    1978-01-01

    In this paper, the nature of the surface states of n-type TiO 2 and SrTiO 3 is discussed and the role of ion bombardment in modifying the properties of these states is elucidated. Insofar as possible, the interrelationships between oxide nonstoichiometry, surface states, ion bombardment effects and photoelectrolysis are explored

  8. Direct observation of surface reconstruction and termination on a complex metal oxide catalyst by electron microscopy

    KAUST Repository

    Zhu, Yihan

    2012-03-19

    On the surface: The surface reconstruction of an MoVTeO complex metal oxide catalyst was observed directly by various electron microscopic techniques and the results explain the puzzling catalytic behavior. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Surface area of antimony oxide by isotope exchange and other methods

    Energy Technology Data Exchange (ETDEWEB)

    Rao, Y.K.; Acharya, B.V.; Rangamannar, B.

    1985-06-17

    Specific surface areas of antimony oxide samples, one commercial, the other prepared from antimony trichloride were measured by heterogeneous isotope exchange, gas adsorption, air permeability and microscopic methods. Specific surface areas obtained by these four methods for the two samples were compared and the observed differences are explained.

  10. The role of cold work and applied stress on surface oxidation of 304 stainless steel

    Energy Technology Data Exchange (ETDEWEB)

    Lozano-Perez, Sergio, E-mail: sergio.lozano-perez@materials.ox.ac.uk [Department of Materials, University of Oxford, Parks Rd., Oxford OX1 3PH (United Kingdom); Kruska, Karen [Department of Materials, University of Oxford, Parks Rd., Oxford OX1 3PH (United Kingdom); Iyengar, Ilya [Winchester College, College Street, Winchester SO23 9LX (United Kingdom); Terachi, Takumi; Yamada, Takuyo [Institute of Nuclear Safety System (INSS), 64 Sata, Mihama-cho, Mikata-gun, Fukui 919-1205 (Japan)

    2012-03-15

    Highlights: Black-Right-Pointing-Pointer FIB 3D sequential sectioning is an ideal technique to characterize surface oxidation. Black-Right-Pointing-Pointer 3D models of the oxide can be produced with nanometre resolution. Black-Right-Pointing-Pointer The effects of stress and cold work in grain boundary oxidation have been analysed. Black-Right-Pointing-Pointer At least three different oxidation modes are observed when stress is applied. - Abstract: FIB 3-dimensional (3D) sequential sectioning has been used to characterize environmental degradation of 304 stainless steels in pressurized water reactor (PWR) simulated primary water. In particular, the effects of cold work and applied stress on oxidation have been studied in detail. It was found that a description of the oxidation behaviour of this alloy is only complete if it is treated statistically, since it can suffer from high variability depending on the feature described.

  11. Surface and sub-surface thermal oxidation of thin ruthenium films

    NARCIS (Netherlands)

    Coloma Ribera, R.; van de Kruijs, Robbert Wilhelmus Elisabeth; Kokke, S.; Zoethout, E.; Yakshin, Andrey; Bijkerk, Frederik

    2014-01-01

    A mixed 2D (film) and 3D (nano-column) growth of ruthenium oxide has been experimentally observed for thermally oxidized polycrystalline ruthenium thin films. Furthermore, in situ x-ray reflectivity upon annealing allowed the detection of 2D film growth as two separate layers consisting of low

  12. Experimental investigation into the surface oxidation of lignite high temperature coke

    Energy Technology Data Exchange (ETDEWEB)

    Schaefer, H G; Dallmann, W [Technische Hochschule Aachen (Germany, F.R.). Lehrgebiet Kokerei und Brikettierung

    1979-11-01

    It was intended to produce lignite high temperature coke (BHFK) in the laboratory comparable to that produced with the Salem-Lurgi-open hearth process and quench them according to the prescribed condition. By this means, the surface oxide formation could be continually recorded gravimetrically. The self-sustaining reaction of the physical and chemical adsorption on the loose material were observed under consideration that the adsorption or surface oxide can exist in a gaseous as well as in a liquid aggregate. The established steam isotherms and electron-microscope photos identified the product BFHK as a material which shows in the range of high-humidity capillary condensation. The continuous gravimetric adsorption leads to 1,9 per cent by weight on dry surface oxides. On the other hand, oxidized coke in the presence of water builds up on the surface to 2,3 per cent by weight. It became apparent that the finest capillary water is not involved in the formation of the oxide. For the dry accumulation, which is a reaction of the first degree, the equation for the accumulation of the oxygen is given. From the BET surface, made up from the graphite-like ring structure of the carbon surface, as well as the dposited quantity of oxide, the surface density of the oxygen atoms is indicated in relation to the quantity of carbon atoms, or alternatively the six-ring. The dry deposition leads to a proportion of 1,5 oxygen atoms to 10 carbon atoms. In a wet reaction, the ratio is 1,8 to 10. With increasing quantities of oxide, the content of volatile matter, the sparking point and reactivity increase, while the porosity diminishes as a consequence.

  13. Oxidation of hydrogen terminated Ge(1 0 0) surface in the presence of iodine in methanol

    International Nuclear Information System (INIS)

    Lee, Younghwan; Park, Kibyung; Lim, Sangwoo

    2008-01-01

    Surface reaction on Ge(1 0 0) in liquid methanol (MeOH) was systematically studied. In particular, the characteristics of the Ge surface in the presence of iodine (I 2 ) in MeOH were investigated. MeOH treatment of the Ge surface in the presence of 0.05 or 0.005 mM of I 2 exhibited a similar result to that without I 2 , which produces a GeO x -dominant oxide structure. However, when the concentration of I 2 in MeOH increased to 0.5 mM, Ge surface revealed a GeO 2 -dominant oxide structure. Therefore, it is believed that the addition of enough I 2 in MeOH modifies the Ge oxidation mechanism. Hydroxide produced by the reaction between MeOH and the iodine radical may oxidize the Ge surface to form a Ge-O layer. Because MeOH is greatly consumed by chain and series reactions when I 2 concentration is high, a GeO 2 structure is not etched and a GeO 2 -dominant oxide structure is obtained with the addition of 0.5 mM I 2 in MeOH. The modified oxide layer prepared in MeOH with 0.5 mM I 2 exhibited an atomically smoother surface compared to a pure MeOH- or H 2 O 2 -treated Ge surface and a much thinner oxide layer than H 2 O 2 treatment.

  14. Descriptors and Thermodynamic Limitations of Electrocatalytic Carbon Dioxide Reduction on Rutile Oxide Surfaces

    DEFF Research Database (Denmark)

    Bhowmik, Arghya; Vegge, Tejs; Hansen, Heine Anton

    2016-01-01

    A detailed understanding of the electrochemical reduction of CO2 into liquid fuels on rutile metal oxide surfaces is developed by using DFT calculations. We consider oxide overlayer structures on RuO2(1 1 0) surfaces as model catalysts to elucidate the trends and limitations in the CO2 reduction...... and it defines the left leg of the activity volcano for CO2RR. HCOOH* is a key intermediate for products formed through further reduction, for example, methanediol, methanol, and methane. The surfaces that do not bind HCOOH* are selective towards formic acid (HCOOH) production, but hydrogen evolution limits...

  15. Hydrophobic cotton textile surfaces using an amphiphilic graphene oxide (GO) coating

    International Nuclear Information System (INIS)

    Tissera, Nadeeka D.; Wijesena, Ruchira N.; Perera, J. Rangana; Nalin de Silva, K.M.; Amaratunge, Gehan A.J.

    2015-01-01

    Graphical abstract: - Highlights: • Different GO dispersions were prepared by sonicating different amounts of GO in water. Degree of exfoliation of these GO sheets in water was analyzed using Atomic Force Microscopy (AFM). • AFM results obtained showed higher the GO concentration on water more the size of GO sheets and lesser the degree of exfoliation. • GO with different amounts was deposited on cotton fabric using simple dyeing method. • High GO loading on cotton increase the surface area coverage of the textile fibers with GO sheets. This led to less edge to mid area ratio of grafted GO sheets. • As contribution of mid area of GO increase on fiber surface cotton fabric becomes more hydrophobic. • Amphiphilic property of GO sheets was used to lower the surface energy of the cotton fibers leading to hydrophobic property. - Abstract: We report for the first time hydrophobic properties on cotton fabric successfully achieved by grafting graphene oxide on the fabric surface, using a dyeing method. Graphite oxide synthesized by oxidizing natural flake graphite employing improved Hummer's method showed an inter layer spacing of ∼1 nm from XRD. Synthesized graphite oxide was exfoliated in water using ultrasound energy to obtain graphene oxide (GO). AFM data obtained for the graphene oxide dispersed in an aqueous medium revealed a non-uniform size distribution. FTIR characterization of the synthesized GO sheets showed both hydrophilic and hydrophobic functional groups present on the nano sheets giving them an amphiphilic property. GO flakes of different sizes were successfully grafted on to a cotton fabric surface using a dip dry method. Loading different amounts of graphene oxide on the cotton fiber surface allowed the fabric to demonstrate different degrees of hydrophobicity. The highest observed water contact angle was at 143° with the highest loading of graphene oxide. The fabric surfaces grafted with GO also exhibits adhesive type hydrophobicity

  16. Spent-fuel special-studies progress report: probable mechanisms for oxidation and dissolution of single-crystal UO2 surfaces

    International Nuclear Information System (INIS)

    Wang, R.

    1981-03-01

    Due to the complexity of the structural, microstructural and compositional characteristics of spent fuel, basic leaching and dissolution mechanisms were studied with UO 2 matrix material, specifically with single-crystal UO 2 , to isolate individual contributory factors. The effects of oxidation and oxidation-dissolution were investigated in different oxidation conditions, such as in air, oxygenated solutions and deionized water containing H 2 O 2 . In addition, the effects of temperature on dissolution of UO 2 were studied in autoclaves at 75 and 150 0 C. Also, oxidation and dissolution measurements were investigated via electrochemical methods to determine if those techniques could be applied to the characterization of leaching and dissolution of spent fuel in a hot cell. Finally, the effects of radiation were explored since the radiolysis of water may create a localized oxidizing condition at or near the spent fuel-solution interface, even in neutral or reducing conditions as commonly found in deep geological environments. The oxidation and oxidation-dissolution mechanisms for UO 2 are proposed as follows: The UO 2 surface is first oxidized in solution to form a UO/sub 2+x/ surface layer several angstroms thick. This oxidized surface has a high dissolution rate since the UO/sub 2+x/ reacts with the dissolved O 2 , or H 2 O 2 , to form uranyl complex ions in a U(VI) state. As the uranyl ions exceed the solubility limits in solution, they become hydrolyzed to form solid deposits and suspended particles of UO 3 hydrates. The thickness and porosity of the deposited UO 3 hydrate surface-film is dependent on temperature, pH and deposition time. A long-term dissolution rate is then determined by the nature of the surface film, such as porosity, solubility and mechanical properties

  17. Growth of micrometric oxide layers to explore laser decontamination of metallic surfaces

    Directory of Open Access Journals (Sweden)

    Carvalho Luisa

    2017-01-01

    Full Text Available The nuclear industry produces a wide range of radioactive waste in terms of hazard level, contaminants and material. For metallic equipment like steam generators, the radioactivity is mainly located in the oxide surface. In order to study and develop safe techniques for dismantling and for decontamination, it is important to have access to oxide layers with a representative distribution of non-radioactive contaminants. In this paper we propose a method for the creation of oxide layers on stainless steel 304L with europium (Eu as contaminant. This technique consists in spraying an Eu-solution on stainless steel samples. The specimens are firstly treated with a pulsed nanosecond laser after which the steel samples are placed in a 873 K furnace for various durations in order to grow an oxide layer. The oxide structure and in-depth distribution of Eu in the oxide layer were analyzed by scanning electron microscopy coupled to an energy-dispersive X-ray microanalyzer, as well as by glow discharge optical emission or mass spectrometry. The oxide layers were grown to thicknesses in the range of 200 nm–4.5 μm depending on the laser treatment parameters and the heating duration. These contaminated oxides had a ‘duplex structure’ with a mean concentration of the order of 6 × 1016 atoms/cm2 (15 μg/cm2 of europium in the volume of the oxide layer. It appears that europium implementation prevented the oxide growth in the furnace. Nevertheless, the presence of the contamination had no impact on the thickness of the oxide layers obtained by preliminary laser treatment. These oxide layers were used to study the decontamination of metallic surfaces such as stainless steel 304L using a nanosecond pulsed laser.

  18. Electrochemical chlorine evolution at rutile oxide (110) surfaces

    DEFF Research Database (Denmark)

    Hansen, Heine Anton; Man, Isabela Costinela; Studt, Felix

    2010-01-01

    -sites are established for MO2 (M being Ir, Ru, Pt, Ti). The linear relations form the basis for constructing a generalized surface phase diagram where two parameters, the potential and the binding energy of oxygen, are needed to determine the surface composition. We calculate the catalytic activity as function...... the lowest overpotential at which all elementary reaction steps in the chlorine evolution reaction are downhill in free energy. This condition is then used as a measure for catalytic activity. Linear scaling relations between the binding energies of the intermediates and the oxygen binding energies at cus...... of the oxygen binding energy, giving rise to a Sabatier volcano. By combining the surface phase diagram and the volcano describing the catalytic activity, we find that the reaction mechanism differs depending on catalyst material. The flexibility in reaction path means that the chlorine evolution activity...

  19. Aspirin degradation in surface-charged TEMPO-oxidized mesoporous crystalline nanocellulose.

    Science.gov (United States)

    Carlsson, Daniel O; Hua, Kai; Forsgren, Johan; Mihranyan, Albert

    2014-01-30

    TEMPO-mediated surface oxidation of mesoporous highly crystalline Cladophora cellulose was used to introduce negative surface charges onto cellulose nanofibrils without significantly altering other structural characteristics. This enabled the investigation of the influence of mesoporous nanocellulose surface charges on aspirin chemical stability to be conducted. The negative surface charges (carboxylate content 0.44±0.01 mmol/g) introduced on the mesoporous crystalline nanocellulose significantly accelerated aspirin degradation, compared to the starting material which had significantly less surface charge (0.06±0.01 mmol/g). This effect followed from an increased aspirin amorphisation ability in mesopores of the oxidized nanocellulose. These results highlight the importance of surface charges in formulating nanocellulose for drug delivery. Copyright © 2013 Elsevier B.V. All rights reserved.

  20. Synthesis of Graphite Oxide with Different Surface Oxygen Contents Assisted Microwave Radiation

    Directory of Open Access Journals (Sweden)

    Adriana Ibarra-Hernández

    2018-02-01

    Full Text Available Graphite oxide is synthesized via oxidation reaction using oxidant compounds that have lattice defects by the incorporation of unlike functional groups. Herein, we report the synthesis of the graphite oxide with diverse surface oxygen content through three (B, C, D different modified versions of the Hummers method assisted microwave radiation compared with the conventional graphite oxide sample obtained by Hummers method (A. These methods allow not only the production of graphite oxide but also reduced graphene oxide, without undergoing chemical, thermal, or mechanical reduction steps. The values obtained of C/O ratio were ~2, 3.4, and ~8.5 for methodologies C, B, and D, respectively, indicating the presence of graphite oxide and reduced graphene oxide, according to X-ray photoelectron spectroscopy. Raman spectroscopy of method D shows the fewest structural defects compared to the other methodologies. The results obtained suggest that the permanganate ion produces reducing species during graphite oxidation. The generation of these species is attributed to a reversible reaction between the permanganate ion with π electrons, ions, and radicals produced after treatment with microwave radiation.

  1. Surface characterization and corrosion behavior of micro-arc oxidized Ti surface modified with hydrothermal treatment and chitosan coating

    International Nuclear Information System (INIS)

    Neupane, Madhav Prasad; Park, Il Song; Lee, Min Ho

    2014-01-01

    In the present work, we describe the surface modification of commercially pure titanium (CP-Ti) by a composite/multilayer coating approach for biomedical applications. CP-Ti samples were treated by micro-arc oxidation (MAO) and subsequently some of the samples were coated with chitosan (Chi) by dip coating method, while others were subjected to hydrothermal treatment (HT) followed by chitosan coating. The MAO, MAO/Chi, and MAO/HT/Chi coated Ti were characterized and their characteristics were compared with CP-Ti. X-ray diffraction and scanning electron microscopy were used to assess the structural and morphological characteristics. The average surface roughness was determined using a surface profilometer. The corrosion resistance of untreated and surface modified Ti in commercial saline at 298 K was evaluated by potentiodynamic polarization test. The results indicated that the chitosan coating is very well integrated with the MAO and MAO/HT coating by physically interlocking itself with the coated layer and almost sealed all the pores. The surface roughness of hydrothermally treated and chitosan coated MAO film was superior evidently to that with other sample groups. The corrosion studies demonstrated that the MAO, hydrothermally treated and chitosan coated sample enhanced the corrosion resistance of titanium. The result indicates that fabrication of hydrothermally treated MAO surface coatings with chitosan is a significant approach to protect the titanium from corrosion, hence enhancing the potential use of titanium as bio-implants. - Highlights: • Micro-arc oxidized (MAO) and hydrothermally treated (HT) Ti surfaces are coated with chitosan (Chi). • The MAO/HT/Chi surface exhibits pores sealing and enhanced the surface roughness. • The MAO/HT/Chi surface significantly increase the corrosion resistance. • The MAO/HT/Chi can be a potential surface of titanium for bio-implants

  2. High temperature oxidation behavior of aluminide on a Ni-based single crystal superalloy in different surface orientations

    Institute of Scientific and Technical Information of China (English)

    Fahamsyah H.Latief; Koji Kakehi; El-Sayed M.Sherif

    2014-01-01

    An investigation on oxidation behavior of coated Ni-based single crystal superalloy in different surface orientations has been carried out at 1100 1C. It has been found that the {100} surface shows a better oxidation resistance than the {110} one, which is attributed that the {110}surface had a slightly higher oxidation rate when compared to the {100} surface. The experimental results also indicated that the anisotropic oxidation behavior took place even with a very small difference in the oxidation rates that was found between the two surfaces. The differences of the topologically close packed phase amount and its penetration depth between the two surfaces, including the ratio of α-Al2O3 after 500 h oxidation, were responsible for the oxidation anisotropy.

  3. Modifying zirconia solid electrolyte surface property to enhance oxide transport

    Energy Technology Data Exchange (ETDEWEB)

    Liaw, B.Y.; Song, S.Y. [Univ. of Hawaii, Honolulu, HI (United States)

    1996-12-31

    Bismuth-strontium-calcium-copper oxide (Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8}, BSCCO) is known for its high T{sub c} superconducting behavior and mixed conducting property. The applicability of similar high T{sub c} cuprates for intermediate-temperature solid oxide fuel cell (SOFC) application has been studied recently. We investigated the electrochemical behavior of several Ag{vert_bar}BSCCO{vert_bar}10 mol% yttria-stabilized zirconia (YSZ){vert_bar}Ag and Ag{vert_bar}YSZ{vert_bar}Ag cells using complex impedance spectroscopy. A highly uniform and porous microstructure was observed at the interface of the YSZ and BSCCO. The ionic conductivity determined from the Nyquest plots in the temperature range of 200-700{degrees}C agrees with the values reported in the literature. The specific resistance of the BSCCO{vert_bar}YSZ interface was also determined to be lower than those of the conventional manganite electrode, suggesting that BSCCO seems attractive for cathode applications in SOFC.

  4. Effects of plasma treatment time on surface characteristics of indium-tin-oxide film for resistive switching storage applications

    International Nuclear Information System (INIS)

    Chen, Po-Hsun; Chang, Ting-Chang; Chang, Kuan-Chang; Tsai, Tsung-Ming; Pan, Chih-Hung; Shih, Chih-Cheng; Wu, Cheng-Hsien; Yang, Chih-Cheng; Chen, Wen-Chung; Lin, Jiun-Chiu; Wang, Ming-Hui; Zheng, Hao-Xuan; Chen, Min-Chen; Sze, Simon M.

    2017-01-01

    In this paper, we implement a post-oxidation method to modify surface characteristics of indium tin oxide (ITO) films by using an O_2 inductively coupled plasma (ICP) treatment. Based on field emission-scanning electron microscope (FE-SEM) and atomic force microscope (AFM) analysis, we found that the surface morphologies of the ITO films become slightly flatter after the O_2 plasma treatment. The optical characteristics and X-ray diffraction (XRD) experiments of either pure ITO or O_2 plasma treated ITO films were also verified. Even though the XRD results showed no difference from bulk crystallizations, the oxygen concentrations increased at the film surface after O_2 plasma treatment, according to the XPS inspection results. Moreover, this study investigated the effects of two different plasma treatment times on oxygen concentration in the ITO films. The surface sheet resistance of the plasma treated ITO films became nearly non-conductive when measured with a 4-point probe. Finally, we applied the O_2 plasma treated ITO films as the insulator in resistive random access memory (RRAM) to examine their potential for use in resistive switching storage applications. Stable resistance switching characteristics were obtained by applying the O_2 plasma treatment to the ITO-based RRAM. We also confirmed the relationship between plasma treatment time and RRAM performance. These material analyses and electrical measurements suggest possible advantages in using this plasma treatment technique in device fabrication processes for RRAM applications.

  5. Effects of plasma treatment time on surface characteristics of indium-tin-oxide film for resistive switching storage applications

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Po-Hsun [Department of Physics, National Sun Yat-Sen University, Kaohsiung 804, Taiwan, ROC (China); Chang, Ting-Chang, E-mail: tcchang3708@gmail.com [Department of Physics, National Sun Yat-Sen University, Kaohsiung 804, Taiwan, ROC (China); Advanced Optoelectronics Technology Center, National Cheng Kung University, Tainan 701, Taiwan, ROC (China); Chang, Kuan-Chang, E-mail: kcchang@pkusz.edu.cn [Department of Materials and Optoelectronic Science, National Sun Yat-Sen University, Kaohsiung 804, Taiwan, ROC (China); School of Electronic and Computer Engineering, Peking University, Shenzhen 518055 (China); Tsai, Tsung-Ming; Pan, Chih-Hung; Shih, Chih-Cheng; Wu, Cheng-Hsien; Yang, Chih-Cheng; Chen, Wen-Chung; Lin, Jiun-Chiu; Wang, Ming-Hui [Department of Materials and Optoelectronic Science, National Sun Yat-Sen University, Kaohsiung 804, Taiwan, ROC (China); Zheng, Hao-Xuan; Chen, Min-Chen [Department of Physics, National Sun Yat-Sen University, Kaohsiung 804, Taiwan, ROC (China); Sze, Simon M. [Department of Electronics Engineering and Institute of Electronics, National Chiao Tung University, Hsinchu 300, Taiwan, ROC (China)

    2017-08-31

    In this paper, we implement a post-oxidation method to modify surface characteristics of indium tin oxide (ITO) films by using an O{sub 2} inductively coupled plasma (ICP) treatment. Based on field emission-scanning electron microscope (FE-SEM) and atomic force microscope (AFM) analysis, we found that the surface morphologies of the ITO films become slightly flatter after the O{sub 2} plasma treatment. The optical characteristics and X-ray diffraction (XRD) experiments of either pure ITO or O{sub 2} plasma treated ITO films were also verified. Even though the XRD results showed no difference from bulk crystallizations, the oxygen concentrations increased at the film surface after O{sub 2} plasma treatment, according to the XPS inspection results. Moreover, this study investigated the effects of two different plasma treatment times on oxygen concentration in the ITO films. The surface sheet resistance of the plasma treated ITO films became nearly non-conductive when measured with a 4-point probe. Finally, we applied the O{sub 2} plasma treated ITO films as the insulator in resistive random access memory (RRAM) to examine their potential for use in resistive switching storage applications. Stable resistance switching characteristics were obtained by applying the O{sub 2} plasma treatment to the ITO-based RRAM. We also confirmed the relationship between plasma treatment time and RRAM performance. These material analyses and electrical measurements suggest possible advantages in using this plasma treatment technique in device fabrication processes for RRAM applications.

  6. In situ emulsion cationic polymerization of isoprene onto the surface of graphite oxide sheets

    Energy Technology Data Exchange (ETDEWEB)

    Pazat, Alice [Ingénierie des Matériaux Polymères, IMP, CNRS UMR 5223, Université Claude Bernard Lyon 1 and INSA de Lyon, 15 boulevard Latarjet, 69122 Villeurbanne cedex (France); Laboratoire de Recherches et de Contrôle du Caoutchouc et des Plastiques, LRCCP, 60 rue Auber, 94408 Vitry-sur-Seine cedex (France); Beyou, Emmanuel, E-mail: beyou@univ-lyon1.fr [Ingénierie des Matériaux Polymères, IMP, CNRS UMR 5223, Université Claude Bernard Lyon 1 and INSA de Lyon, 15 boulevard Latarjet, 69122 Villeurbanne cedex (France); Barrès, Claire [Ingénierie des Matériaux Polymères, IMP, CNRS UMR 5223, Université Claude Bernard Lyon 1 and INSA de Lyon, 15 boulevard Latarjet, 69122 Villeurbanne cedex (France); Bruno, Florence; Janin, Claude [Laboratoire de Recherches et de Contrôle du Caoutchouc et des Plastiques, LRCCP, 60 rue Auber, 94408 Vitry-sur-Seine cedex (France)

    2017-02-28

    Highlights: • Graphite oxide sheets were functionalized by polyisoprene in a two steps procedure. • The polyisoprene chains were grafted onto functionalized GO sheets by the grafting through technique. • A polyisoprene weight content of 50% was calculated from TGA measurements. • A decrease of the air permeability coefficient of 27% for the vulcanized PI composites has been reached. - Abstract: Grafting of polymers onto graphite oxide sheets (GO) has been widely studied in recent years due to the numerous applications of GO-based composites. Herein, polyisoprene (PI) chains were anchored on the surface of GO by in situ cationic polymerization using a “grafting through” approach with allyltrimethoxysilane-modified GO (GO-ATMS). First, the functionalization of GO sheets through the hydrolysis-condensation of allyltrimethoxysilane (ATMS) molecules was qualitatively evidenced by infra-red spectroscopy and X-ray photoelectron spectrometry and a weight content of 4% grafted ATMS was calculated from thermogravimetric analysis. Then, isoprene was in situ polymerized through a one-pot cationic mechanism by using a highly water-dispersible Lewis acid surfactant combined catalyst. For comparison, it was shown that the cationic polymerization of isoprene in presence of un-functionalized GO sheets led to a polyisoprene weight content on the solid filler divided by 3 compared to GO-ATMS. Finally, the compounding of the modified GO/PI composites was performed at a processing temperature of 80 °C with 2 phr and 15 phr loadings and it was shown a decrease of the air permeability coefficient of 27% for the vulcanizates with 15 phr loading.

  7. In situ emulsion cationic polymerization of isoprene onto the surface of graphite oxide sheets

    International Nuclear Information System (INIS)

    Pazat, Alice; Beyou, Emmanuel; Barrès, Claire; Bruno, Florence; Janin, Claude

    2017-01-01

    Highlights: • Graphite oxide sheets were functionalized by polyisoprene in a two steps procedure. • The polyisoprene chains were grafted onto functionalized GO sheets by the grafting through technique. • A polyisoprene weight content of 50% was calculated from TGA measurements. • A decrease of the air permeability coefficient of 27% for the vulcanized PI composites has been reached. - Abstract: Grafting of polymers onto graphite oxide sheets (GO) has been widely studied in recent years due to the numerous applications of GO-based composites. Herein, polyisoprene (PI) chains were anchored on the surface of GO by in situ cationic polymerization using a “grafting through” approach with allyltrimethoxysilane-modified GO (GO-ATMS). First, the functionalization of GO sheets through the hydrolysis-condensation of allyltrimethoxysilane (ATMS) molecules was qualitatively evidenced by infra-red spectroscopy and X-ray photoelectron spectrometry and a weight content of 4% grafted ATMS was calculated from thermogravimetric analysis. Then, isoprene was in situ polymerized through a one-pot cationic mechanism by using a highly water-dispersible Lewis acid surfactant combined catalyst. For comparison, it was shown that the cationic polymerization of isoprene in presence of un-functionalized GO sheets led to a polyisoprene weight content on the solid filler divided by 3 compared to GO-ATMS. Finally, the compounding of the modified GO/PI composites was performed at a processing temperature of 80 °C with 2 phr and 15 phr loadings and it was shown a decrease of the air permeability coefficient of 27% for the vulcanizates with 15 phr loading.

  8. [A method of temperature measurement for hot forging with surface oxide based on infrared spectroscopy].

    Science.gov (United States)

    Zhang, Yu-cun; Qi, Yan-de; Fu, Xian-bin

    2012-05-01

    High temperature large forging is covered with a thick oxide during forging. It leads to a big measurement data error. In this paper, a method of measuring temperature based on infrared spectroscopy is presented. It can effectively eliminate the influence of surface oxide on the measurement of temperature. The method can measure the surface temperature and emissivity of the oxide directly using the infrared spectrum. The infrared spectrum is radiated from surface oxide of forging. Then it can derive the real temperature of hot forging covered with the oxide using the heat exchange equation. In order to greatly restrain interference spectroscopy through included in the received infrared radiation spectrum, three interference filter system was proposed, and a group of optimal gap parameter values using spectral simulation were obtained. The precision of temperature measurement was improved. The experimental results show that the method can accurately measure the surface temperature of high temperature forging covered with oxide. It meets the requirements of measurement accuracy, and the temperature measurement method is feasible according to the experiment result.

  9. A Classical Potential to Model the Adsorption of Biological Molecules on Oxidized Titanium Surfaces.

    Science.gov (United States)

    Schneider, Julian; Ciacchi, Lucio Colombi

    2011-02-08

    The behavior of titanium implants in physiological environments is governed by the thin oxide layer that forms spontaneously on the metal surface and mediates the interactions with adsorbate molecules. In order to study the adsorption of biomolecules on titanium in a realistic fashion, we first build up a model of an oxidized Ti surface in contact with liquid water by means of extensive first-principles molecular dynamics simulations. Taking the obtained structure as reference, we then develop a classical potential to model the Ti/TiOx/water interface. This is based on the mapping with Coulomb and Lennard-Jones potentials of the adsorption energy landscape of single water and ammonia molecules on the rutile TiO2(110) surface. The interactions with arbitrary organic molecules are obtained via standard combination rules to established biomolecular force fields. The transferability of our potential to the case of organic molecules adsorbing on the oxidized Ti surface is checked by comparing the classical potential energy surfaces of representative systems to quantum mechanical results at the level of density functional theory. Moreover, we calculate the heat of immersion of the TiO2 rutile surface and the detachment force of a single tyrosine residue from steered molecular dynamics simulations, finding good agreement with experimental reference data in both cases. As a first application, we study the adsorption behavior of the Arg-Gly-Asp (RGD) peptide on the oxidized titanium surface, focusing particularly on the calculation of the free energy of desorption.

  10. Dynamic and Impure Perovskite Structured Metal Oxide Surfaces

    DEFF Research Database (Denmark)

    Hansen, Karin Vels; Norrman, Kion; Traulsen, Marie Lund

    2017-01-01

    Surfaces of LSF and LSCF perovskite model electrodes were investigated using a variety of analytical methods on flat model electrodes that were prepared as either pellets or as thin films on top of YSZ pellets in other to throw more light on the widely discussed segregation of layers and particles...

  11. Determining the energetics of vicinal perovskite oxide surfaces

    NARCIS (Netherlands)

    Wessels, W.A.; Bollmann, Tjeerd Rogier Johannes; Koster, Gertjan; Zandvliet, Henricus J.W.; Rijnders, Augustinus J.H.M.

    2017-01-01

    The energetics of vicinal SrTiO3(001) and DyScO3(110), prototypical perovskite vicinal surfaces, has been studied using topographic atomic force microscopy imaging. The kink formation and strain relaxation energies are extracted from a statistical analysis of the step meandering. Both perovskite

  12. Generalized molybdenum oxide surface chemical state XPS determination via informed amorphous sample model

    Energy Technology Data Exchange (ETDEWEB)

    Baltrusaitis, Jonas, E-mail: job314@lehigh.edu [Department of Chemical Engineering, Lehigh University, B336 Iacocca Hall, 111 Research Drive, Bethlehem, PA 18015 (United States); PhotoCatalytic Synthesis group, MESA+ Institute for Nanotechnology, Faculty of Science and Technology, University of Twente, Meander 229, P.O. Box 217, 7500 AE Enschede (Netherlands); Mendoza-Sanchez, Beatriz [CRANN, Chemistry School, Trinity College Dublin, Dublin (Ireland); Fernandez, Vincent [Institut des Matériaux Jean Rouxel, 2 rue de la Houssinière, BP 32229, F-44322 Nantes Cedex 3 (France); Veenstra, Rick [PhotoCatalytic Synthesis group, MESA+ Institute for Nanotechnology, Faculty of Science and Technology, University of Twente, Meander 229, P.O. Box 217, 7500 AE Enschede (Netherlands); Dukstiene, Nijole [Department of Physical and Inorganic Chemistry, Kaunas University of Technology, Radvilenu pl. 19, LT-50254 Kaunas (Lithuania); Roberts, Adam [Kratos Analytical Ltd, Trafford Wharf Road, Wharfside, Manchester, M17 1GP (United Kingdom); Fairley, Neal [Casa Software Ltd, Bay House, 5 Grosvenor Terrace, Teignmouth, Devon TQ14 8NE (United Kingdom)

    2015-01-30

    Highlights: • We analyzed and modeled spectral envelopes of complex molybdenum oxides. • Molybdenum oxide films of varying valence and crystallinity were synthesized. • MoO{sub 3} and MoO{sub 2} line shapes from experimental data were created. • Informed amorphous sample model (IASM) developed. • Amorphous molybdenum oxide XPS envelopes were interpreted. - Abstract: Accurate elemental oxidation state determination for the outer surface of a complex material is of crucial importance in many science and engineering disciplines, including chemistry, fundamental and applied surface science, catalysis, semiconductors and many others. X-ray photoelectron spectroscopy (XPS) is the primary tool used for this purpose. The spectral data obtained, however, is often very complex and can be subject to incorrect interpretation. Unlike traditional XPS spectra fitting procedures using purely synthetic spectral components, here we develop and present an XPS data processing method based on vector analysis that allows creating XPS spectral components by incorporating key information, obtained experimentally. XPS spectral data, obtained from series of molybdenum oxide samples with varying oxidation states and degree of crystallinity, were processed using this method and the corresponding oxidation states present, as well as their relative distribution was elucidated. It was shown that monitoring the evolution of the chemistry and crystal structure of a molybdenum oxide sample due to an invasive X-ray probe could be used to infer solutions to complex spectral envelopes.

  13. 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.

  14. Electronic state of ruthenium deposited onto oxide supports: An XPS study taking into account the final state effects

    International Nuclear Information System (INIS)

    Larichev, Yurii V.; Moroz, Boris L.; Bukhtiyarov, Valerii I.

    2011-01-01

    The electronic state of ruthenium in the supported Ru/EO x (EO x = MgO, Al 2 O 3 or SiO 2 ) catalysts prepared by with the use of Ru(OH)Cl 3 or Ru(acac) 3 (acac = acetylacetonate) and reduced with H 2 at 723 K is characterized by X-ray photoelectron spectroscopy (XPS) in the Ru 3d, Cl 2p and O 1s regions. The influence of the final state effects (the differential charging and variation of the relaxation energy) on the binding energy (BE) of Ru 3d 5/2 core level measured for supported Ru nanoparticles is estimated by comparison of the Fermi levels and the modified Auger parameters determined for the Ru/EO x samples with the corresponding characteristics of the bulk Ru metal. It is found that the negative shift of the Ru 3d 5/2 peak which is observed in the spectrum of ruthenium deposited onto MgO (BE = 279.5-279.7 eV) with respect to that of Ru black (BE = 280.2 eV) or ruthenium supported on γ-Al 2 O 3 and SiO 2 (BE = 280.4 eV) is caused not by the transfer of electron density from basic sites of MgO, as considered earlier, but by the differential charging of the supported Ru particles compared with the support surface. Correction for the differential charging value reveals that the initial state energies of ruthenium in the Ru/EO x systems are almost identical (BE = 280.5 ± 0.1 eV) irrespectively of acid-base properties of the support, the mean size of supported Ru crystallites (within the range of 2-10 nm) and the surface Cl content. The results obtained suggest that the difference in ammonia synthesis activity between the Ru catalysts supported on MgO and on the acidic supports is accounted for by not different electronic state of ruthenium on the surface of these oxides but by some other reasons.

  15. Final Rule to Reduce Toxic Air Pollutants from Surface Coating of Plastic Parts and Products Fact Sheet

    Science.gov (United States)

    This page contains an August 2004 fact sheet with information regarding the final NESHAP for Surface Coating of Plastic Parts and Products. This document provides a summary of the information for the information for this regulation.

  16. Surface chemistry and cytotoxicity of reactively sputtered tantalum oxide films on NiTi plates

    Energy Technology Data Exchange (ETDEWEB)

    McNamara, K. [Materials and Surface Science Institute, University of Limerick, Limerick (Ireland); Department of Physics & Energy, University of Limerick, Limerick (Ireland); Kolaj-Robin, O.; Belochapkine, S.; Laffir, F. [Materials and Surface Science Institute, University of Limerick, Limerick (Ireland); Gandhi, A.A. [Materials and Surface Science Institute, University of Limerick, Limerick (Ireland); Department of Physics & Energy, University of Limerick, Limerick (Ireland); Tofail, S.A.M., E-mail: tofail.syed@ul.ie [Materials and Surface Science Institute, University of Limerick, Limerick (Ireland); Department of Physics & Energy, University of Limerick, Limerick (Ireland)

    2015-08-31

    NiTi, an equiatomic alloy containing nickel and titanium, exhibits unique properties such as shape memory effect and superelasticity. NiTi also forms a spontaneous protective titanium dioxide (TiO{sub 2}) layer that allows its use in biomedical applications. Despite the widely perceived biocompatibility there remain some concerns about the sustainability of the alloy's biocompatibility due to the defects in the TiO{sub 2} protective layer and the presence of high amount of sub-surface Ni, which can give allergic reactions. Many surface treatments have been investigated to try to improve both the corrosion resistance and biocompatibility of this layer. For such purposes, we have sputter deposited tantalum (Ta) oxide thin films onto the surface of the NiTi alloy. Despite being one of the promising metals for biomedical applications, Ta, and its various oxides and their interactions with cells have received relatively less attention. The oxidation chemistry, crystal structure, morphology and biocompatibility of these films have been investigated. In general, reactive sputtering especially in the presence of a low oxygen mixture yields a thicker film with better control of the film quality. The sputtering power influenced the surface oxidation states of Ta. Both microscopic and quantitative cytotoxicity measurements show that Ta films on NiTi are biocompatible with little to no variation in cytotoxic response when the surface oxidation state of Ta changes. - Highlights: • Reactive sputtering in low oxygen mixture yields thicker better quality films. • Sputtering power influenced surface oxidation states of Ta. • Cytotoxicity measurements show Ta films on NiTi are biocompatible. • Little to no variation in cytotoxic response when oxidation state changes.

  17. Covalent Surface Modification of Silicon Oxides with Alcohols in Polar Aprotic Solvents.

    Science.gov (United States)

    Lee, Austin W H; Gates, Byron D

    2017-09-05

    Alcohol-based monolayers were successfully formed on the surfaces of silicon oxides through reactions performed in polar aprotic solvents. Monolayers prepared from alcohol-based reagents have been previously introduced as an alternative approach to covalently modify the surfaces of silicon oxides. These reagents are readily available, widely distributed, and are minimally susceptible to side reactions with ambient moisture. A limitation of using alcohol-based compounds is that previous reactions required relatively high temperatures in neat solutions, which can degrade some alcohol compounds or could lead to other unwanted side reactions during the formation of the monolayers. To overcome these challenges, we investigate the condensation reaction of alcohols on silicon oxides carried out in polar aprotic solvents. In particular, propylene carbonate has been identified as a polar aprotic solvent that is relatively nontoxic, readily accessible, and can facilitate the formation of alcohol-based monolayers. We have successfully demonstrated this approach for tuning the surface chemistry of silicon oxide surfaces with a variety of alcohol containing compounds. The strategy introduced in this research can be utilized to create silicon oxide surfaces with hydrophobic, oleophobic, or charged functionalities.

  18. Effect of surface finishing on the oxidation behaviour of a ferritic stainless steel

    Energy Technology Data Exchange (ETDEWEB)

    Ardigo-Besnard, M.R., E-mail: maria-rosa.ardigo-besnard@u-bourgogne.fr [Laboratoire Interdisciplinaire Carnot de Bourgogne (ICB), UMR 6303 CNRS—Université de Bourgogne Franche-Comté, BP 47870, 21078 Dijon Cedex (France); Popa, I.; Heintz, O.; Chassagnon, R. [Laboratoire Interdisciplinaire Carnot de Bourgogne (ICB), UMR 6303 CNRS—Université de Bourgogne Franche-Comté, BP 47870, 21078 Dijon Cedex (France); Vilasi, M. [Institut Jean Lamour, UMR 7198 CNRS—Université de Lorraine, Parc de Saurupt, 54011 Nancy (France); Herbst, F. [Laboratoire Interdisciplinaire Carnot de Bourgogne (ICB), UMR 6303 CNRS—Université de Bourgogne Franche-Comté, BP 47870, 21078 Dijon Cedex (France); Girardon, P. [APERAM, Centre de Recherche, BP15, 62330 Isbergues (France); Chevalier, S. [Laboratoire Interdisciplinaire Carnot de Bourgogne (ICB), UMR 6303 CNRS—Université de Bourgogne Franche-Comté, BP 47870, 21078 Dijon Cedex (France)

    2017-08-01

    Highlights: • Study of surface finishing effect on the corrosion behaviour of a stainless steel. • Mirror polished samples were compared to as-rolled material. • Two oxidation mechanisms were identified depending on the surface finishing. • Before oxidation, native chemical phases are identical for both samples. • Subsurface dislocations generated by the polishing process promote Cr{sub 2}O{sub 3} formation. - Abstract: The corrosion behaviour and the oxidation mechanism of a ferritic stainless steel, K41X (AISI 441), were evaluated at 800 °C in water vapour hydrogen enriched atmosphere. Mirror polished samples were compared to as-rolled K41X material. Two different oxidation behaviours were observed depending on the surface finishing: a protective double (Cr,Mn){sub 3}O{sub 4}/Cr{sub 2}O{sub 3} scale formed on the polished samples whereas external Fe{sub 3}O{sub 4} and (Cr,Fe){sub 2}O{sub 3} oxides grew on the raw steel. Moreover, isotopic marker experiments combined with SIMS analyses revealed different growth mechanisms. The influence of surface finishing on the corrosion products and growth mechanisms was apprehended by means of X-ray photoelectron spectroscopy (XPS) and residual stress analyses using XRD at the sample surfaces before ageing.

  19. New surface radiolabeling schemes of super paramagnetic iron oxide nanoparticles (SPIONs) for biodistribution studies†

    Science.gov (United States)

    Nallathamby, Prakash D.; Mortensen, Ninell P.; Palko, Heather A.; Malfatti, Mike; Smith, Catherine; Sonnett, James; Doktycz, Mitchel J.; Gu, Baohua; Roeder, Ryan K.; Wang, Wei; Retterer, Scott T.

    2016-01-01

    Nanomaterial based drug delivery systems allow for the independent tuning of the surface chemical and physical properties that affect their biodistribution in vivo and the therapeutic payloads that they are intended to deliver. Additionally, the added therapeutic and diagnostic value of their inherent material properties often provides extra functionality. Iron based nanomaterials with their magnetic properties and easily tailorable surface chemistry are of particular interest as model systems. In this study the core radius of the iron oxide nanoparticles (NPs) was 14.08 ± 3.92 nm while the hydrodynamic radius of the NPs, as determined by Dynamic Light Scattering (DLS), was between 90–110 nm. In this study, different approaches were explored to create radiolabeled NPs that are stable in solution. The NPs were functionalized with polycarboxylate or polyamine surface functional groups. Polycarboxylate functionalized NPs had a zeta potential of –35 mV and polyamine functionalized NPs had a zeta potential of +40 mV. The polycarboxylate functionalized NPs were chosen for in vivo biodistribution studies and hence were radiolabeled with 14C, with a final activity of 0.097 nCi mg–1 of NPs. In chronic studies, the biodistribution profile is tracked using low-level radiolabeled proxies of the nanoparticles of interest. Conventionally, these radiolabeled proxies are chemically similar but not chemically identical to the non-radiolabeled NPs of interest. This study is novel as different approaches were explored to create radiolabeled NPs that are stable, possess a hydrodynamic radius of <100 nm and most importantly they exhibit an identical surface chemical functionality as their non-radiolabeled counterparts. Identical chemical functionality of the radiolabeled probes to the non-radiolabeled probes was an important consideration to generate statistically similar biodistribution data sets using multiple imaging and detection techniques. The radiolabeling approach

  20. New surface radiolabeling schemes of super paramagnetic iron oxide nanoparticles (SPIONs) for biodistribution studies.

    Science.gov (United States)

    Nallathamby, Prakash D; Mortensen, Ninell P; Palko, Heather A; Malfatti, Mike; Smith, Catherine; Sonnett, James; Doktycz, Mitchel J; Gu, Baohua; Roeder, Ryan K; Wang, Wei; Retterer, Scott T

    2015-04-21

    Nanomaterial based drug delivery systems allow for the independent tuning of the surface chemical and physical properties that affect their biodistribution in vivo and the therapeutic payloads that they are intended to deliver. Additionally, the added therapeutic and diagnostic value of their inherent material properties often provides extra functionality. Iron based nanomaterials with their magnetic properties and easily tailorable surface chemistry are of particular interest as model systems. In this study the core radius of the iron oxide nanoparticles (NPs) was 14.08 ± 3.92 nm while the hydrodynamic radius of the NPs, as determined by Dynamic Light Scattering (DLS), was between 90-110 nm. In this study, different approaches were explored to create radiolabeled NPs that are stable in solution. The NPs were functionalized with polycarboxylate or polyamine surface functional groups. Polycarboxylate functionalized NPs had a zeta potential of -35 mV and polyamine functionalized NPs had a zeta potential of +40 mV. The polycarboxylate functionalized NPs were chosen for in vivo biodistribution studies and hence were radiolabeled with (14)C, with a final activity of 0.097 nCi mg(-1) of NPs. In chronic studies, the biodistribution profile is tracked using low level radiolabeled proxies of the nanoparticles of interest. Conventionally, these radiolabeled proxies are chemically similar but not chemically identical to the non-radiolabeled NPs of interest. This study is novel as different approaches were explored to create radiolabeled NPs that are stable, possess a hydrodynamic radius of <100 nm and most importantly they exhibit an identical surface chemical functionality as their non-radiolabeled counterparts. Identical chemical functionality of the radiolabeled probes to the non-radiolabeled probes was an important consideration to generate statistically similar biodistribution data sets using multiple imaging and detection techniques. The radiolabeling approach

  1. Growth of micrometric oxide layers for the study of metallic surfaces decontamination by laser

    Science.gov (United States)

    Carvalho, Luisa; Pacquentin, Wilfried; Tabarant, Michel; Maskrot, Hicham; Semerok, Alexandre

    2017-09-01

    The nuclear industry produces a wide range of radioactive waste in term of level of hazard, contaminants and material. For metallic equipment like steam generators, the radioactivity is mainly located in the oxide surface. In order to study and develop techniques for dismantling and for decontamination in a safe way, it is important to have access to oxide layers with a representative distribution of non-radioactive contaminants. We propose a method of formation of oxide layer on stainless steel 304L with europium (Eu) as contaminant marker. In this method, an Eu-solution is sprayed on the stainless steel samples. The specimen are firstly treated with a pulsed nanosecond laser and secondly the steel samples are exposed to a 600°C furnace for various durations in order to grow an oxide layer. The oxide structure and in-depth distribution of Eu in the oxide layer are analysed by scanning electron microscopy coupled with energy dispersive X-ray microanalyzer, and by glow discharge optical emission or mass spectrometry. The oxide layers were grown to thicknesses in the range of 200 nm to 4.5 μm regarding to the laser treatment parameters and the heating duration. These contaminated oxides have a `duplex structure' with a mean weight percentage of 0.5% of europium in the volume of the oxide layer. It appears that europium implementation prevents the oxide growth by furnace but has no impact on laser heating. These oxide layers are used to study the decontamination of metallic surfaces such as stainless steel 304L using a nanosecond pulsed laser.

  2. Growth of micrometric oxide layers for the study of metallic surfaces decontamination by laser

    Directory of Open Access Journals (Sweden)

    Carvalho Luisa

    2017-01-01

    Full Text Available The nuclear industry produces a wide range of radioactive waste in term of level of hazard, contaminants and material. For metallic equipment like steam generators, the radioactivity is mainly located in the oxide surface. In order to study and develop techniques for dismantling and for decontamination in a safe way, it is important to have access to oxide layers with a representative distribution of non-radioactive contaminants. We propose a method of formation of oxide layer on stainless steel 304L with europium (Eu as contaminant marker. In this method, an Eu-solution is sprayed on the stainless steel samples. The specimen are firstly treated with a pulsed nanosecond laser and secondly the steel samples are exposed to a 600°C furnace for various durations in order to grow an oxide layer. The oxide structure and in-depth distribution of Eu in the oxide layer are analysed by scanning electron microscopy coupled with energy dispersive X-ray microanalyzer, and by glow discharge optical emission or mass spectrometry. The oxide layers were grown to thicknesses in the range of 200 nm to 4.5 μm regarding to the laser treatment parameters and the heating duration. These contaminated oxides have a ‘duplex structure’ with a mean weight percentage of 0.5% of europium in the volume of the oxide layer. It appears that europium implementation prevents the oxide growth by furnace but has no impact on laser heating. These oxide layers are used to study the decontamination of metallic surfaces such as stainless steel 304L using a nanosecond pulsed laser.

  3. Humidity Sensing Properties of Surface Modified Polyaniline Metal Oxide Composites

    Directory of Open Access Journals (Sweden)

    S. C. Nagaraju

    2014-01-01

    Full Text Available Polyaniline- (PANI praseodymium Oxide (Pr2O3 composites have been synthesized by in situ polymerization method with different weight percentages. The synthesized composites have been characterized by Fourier transform infrared spectroscopy, X-ray diffraction and scanning electron microscopy. The temperature dependent conductivity shows that the conductivity is due to the hopping of polarons and bipolarons. These composites show negative thermal coefficient (α behavior as a function of temperature, which is characteristic behavior of semiconducting materials. Sensor studies have been carried out by two-probe method and found that the sensitivity increases with increase in % RH. It is noticed that stability increase is due to the presence of Pr2O3 in polyaniline up to 30 wt%. A fast recovery and response time along with high sensitivity make these composites suitable for humidity sensors.

  4. Construction and modelling of a thermoelectric oxide module (TOM) as a demonstrator - Final report

    Energy Technology Data Exchange (ETDEWEB)

    Tomes, P.; Weidenkaff, A.

    2010-08-15

    The project aims at the development of better thermoelectric materials for the direct conversion of solar heat into electricity. The maximum output power P{sub max} and the efficiency {eta} of the conversion was measured on a series of four-leg thermoelectric oxide modules (TOM). The modules were constructed by combining two p-type (La{sub 1.98}Sr{sub 0.02}CuO{sub 4}) and two n-type (CaMn{sub 0.98}Nb{sub 0.02}O{sub 3}) thermoelements connected electrically in series and thermally in parallel. The temperature gradient {Delta}T was provided by a High-Flux Solar Simulator source (HFSS) which generates a spectrum similar to solar radiation. This project was intended to be a feasibility study for the utilization of high temperature solar heat, which could not previously be demonstrated due to the low temperature stability of conventional materials. The direct conversion was proven by this study. The measurements show an almost linear temperature profile along the thermoelectric legs. However, the maximum output power resulted in 88.8 mW for a TOM with a leg length of 5 mm at {Delta}T = 622 K and has yet to be optimized by improving the converter design and the applied materials. The highest conversion efficiency {eta} was found for a heat flux of 4 to 8 W cm{sup -2}. The dependence of {eta} on the leg length was studied as well as the influence of a graphite coating on the hot Al{sub 2}O{sub 3} surface on {Delta}T, P{sub max} and {eta}. (authors)

  5. Zinc (hydr)oxide/graphite oxide/AuNPs composites: role of surface features in H₂S reactive adsorption.

    Science.gov (United States)

    Giannakoudakis, Dimitrios A; Bandosz, Teresa J

    2014-12-15

    Zinc hydroxide/graphite oxide/AuNPs composites with various levels of complexity were synthesized using an in situ precipitation method. Then they were used as H2S adsorbents in visible light. The materials' surfaces were characterized before and after H2S adsorption by various physical and chemical methods (XRD, FTIR, thermal analysis, potentiometric titration, adsorption of nitrogen and SEM/EDX). Significant differences in surface features and synergistic effects were found depending on the materials' composition. Addition of graphite oxide and the deposition of gold nanoparticles resulted in a marked increase in the adsorption capacity in comparison with that on the zinc hydroxide and zinc hydroxide/AuNP. Addition of AuNPs to zinc hydroxide led to a crystalline ZnO/AuNP composite while the zinc hydroxide/graphite oxide/AuNP composite was amorphous. The ZnOH/GO/AuNPs composite exhibited the greatest H2S adsorption capacity due to the increased number of OH terminal groups and the conductive properties of GO that facilitated the electron transfer and consequently the formation of superoxide ions promoting oxidation of hydrogen sulfide. AuNPs present in the composite increased the conductivity, helped with electron transfer to oxygen, and prevented the fast recombination of the electrons and holes. Copyright © 2014 Elsevier Inc. All rights reserved.

  6. Iron oxidation kinetics and phosphate immobilization along the flow-path from groundwater into surface water

    Science.gov (United States)

    van der Grift, B.; Rozemeijer, J. C.; Griffioen, J.; van der Velde, Y.

    2014-11-01

    The retention of phosphorus in surface waters through co-precipitation of phosphate with Fe-oxyhydroxides during exfiltration of anaerobic Fe(II) rich groundwater is not well understood. We developed an experimental field set-up to study Fe(II) oxidation and P immobilization along the flow-path from groundwater into surface water in an agricultural experimental catchment of a small lowland river. We physically separated tube drain effluent from groundwater discharge before it entered a ditch in an agricultural field. Through continuous discharge measurements and weekly water quality sampling of groundwater, tube drain water, exfiltrated groundwater, and surface water, we investigated Fe(II) oxidation kinetics and P immobilization processes. The oxidation rate inferred from our field measurements closely agreed with the general rate law for abiotic oxidation of Fe(II) by O2. Seasonal changes in climatic conditions affected the Fe(II) oxidation process. Lower pH and lower temperatures in winter (compared to summer) resulted in low Fe oxidation rates. After exfiltration to the surface water, it took a couple of days to more than a week before complete oxidation of Fe(II) is reached. In summer time, Fe oxidation rates were much higher. The Fe concentrations in the exfiltrated groundwater were low, indicating that dissolved Fe(II) is completely oxidized prior to inflow into a ditch. While the Fe oxidation rates reduce drastically from summer to winter, P concentrations remained high in the groundwater and an order of magnitude lower in the surface water throughout the year. This study shows very fast immobilization of dissolved P during the initial stage of the Fe(II) oxidation process which results in P-depleted water before Fe(II) is completely depleted. This cannot be explained by surface complexation of phosphate to freshly formed Fe-oxyhydroxides but indicates the formation of Fe(III)-phosphate precipitates. The formation of Fe(III)-phosphates at redox gradients

  7. Electrocatalytic Activity for CO, MeOH, and EtOH Oxidation on the Surface of Pt-Ru Nanoparticles Supported by Metal Oxide

    Directory of Open Access Journals (Sweden)

    Kwang-Sik Sim

    2011-01-01

    Full Text Available This paper describes the electrocatalytic activity for CO, MeOH, and EtOH oxidation on the surface of Pt-Ru nanoparticles supported by metal oxide (Nb-TiO2-H prepared for use in a fuel cell. To prepare Nb-TiO2-supported Pt-Ru nanoparticles, first, the Nb-TiO2 supports were prepared by sol-gel reaction of titanium tetraisopropoxide with a small amount of the niobium ethoxide in polystyrene (PS colloids. Second, Pt-Ru nanoparticles were then deposited by chemical reduction of the Pt4+ and Ru3+ ions onto Nb-TiO2 supports (Pt-Ru@Nb-TiO2-CS. Nb element was used to reduce electrical resistance to facilitate electron transport during the electrochemical reactions on a fuel cell electrode. Finally, the Pt-Ru@Nb-TiO2-H catalysts were formed by the removal of core-polystyrene ball from Pt-Ru@TiO2-CS at 500∘C. The successfully prepared Pt-Ru electrocatalysts were confirmed via TEM, XPS, and ICP analysis. The electrocatalytic efficiency of Pt-Ru nanoparticles was evaluated via CO, MeOH, and EtOH oxidation for use in a direct methanol fuel cell (DMFC. As a result, the Pt-Ru@Nb-TiO2-H electrodes showed high electrocatalytic activity for the electrooxidation of CO, MeOH, and EtOH.

  8. HREM of metallized {111} iron oxide nanoparticle surfaces

    International Nuclear Information System (INIS)

    Lovely, G R; Brown, A P; Brydson, R; Kirkland, A I; Meyer, R; Chang, L Y; Jefferson, D A; Falke, M; Bleloch, A

    2006-01-01

    Mixed phase Fe 3 O 4 - γ-Fe 2 O 3 (magnetite-maghemite) nanoparticles have been fabricated by colloidal routes. HR(S)TEM images, taken on both aberration corrected and uncorrected (S)TEMs, and indirect reconstruction of images of the nanoparticles show the presence of {111} facets that terminate with enhanced contrast. This extra contrast is shown to be real and is due to additional octahedral cations occupying the {111} surfaces

  9. Temperature effects on surface activity and application in oxidation ...

    Indian Academy of Sciences (India)

    Unknown

    Abstract. The γcmc values of CTAB–SDS decrease from 63⋅67 mN/m at 10°C to 36⋅38 mN/m at 90°C, slightly lower than those of either CTAB or SDS. Correspondingly, the CMC of CTAB–SDS decreases almost by half. The increase of surface activity of CTAB–SDS can be attributed to the relatively weak electrostatic ...

  10. Final Test at the Surface of the ATLAS Endcap Muon Trigger Chamber Electronics

    CERN Document Server

    Kubota, T; Kanaya, N; Kawamoto, T; Kobayashi, T; Kuwabara, T; Nomoto, H; Sakamoto, H; Yamaguchi, T; Fukunaga, C; Ikeno, M; Iwasaki, H; Nagano, K; Nozaki, M; Sasaki, O; Tanaka, S; Yasu, Y; Hasegawa, Y; Oshita, H; Takeshita, T; Nomachi, M; Sugaya, Y; Sugimoto, T; Okumura, Y; Takahashi, Y; Tomoto, M; Kadosaka, T; Kawagoe, K; Kiyamura, H; Kurashige, H; Niwa, T; Ochi, A; Omachi, C; Takeda, H; Lifshitz, R; Lupu, N; Bressler, S; Tarem, S; Kajomovitz, E; Ben Ami, S; Bahat Treidel, O; Benhammou, Ya; Etzion, E; Lellouch, D; Levinson, L; Mikenberg, G; Roich, A

    2007-01-01

    For the detector commissioning planned in 2007, sector assembly of the ATLAS muon-endcap trigger chambers and final test at the surface for the assembled electronics are being done in CERN and almost completed. For the test, we built up the Data Acquisition (DAQ) system using test pulse of two types and cosmic rays in order to check functionality of the various aspects of the electronics mounted on a sector. So far, 99% of all 320,000 channels have been tested and most of them were installed into the ATLAS cavern. In this presentation, we will describe the DAQ systems and mass-test procedure in detail, and report the result of electronics test with some actual experiences

  11. Creation of hydrophobic surfaces using a paint containing functionalized oxide particles

    Science.gov (United States)

    Sino, Paul Albert L.; Herrera, Marvin U.; Balela, Mary Donnabelle L.

    2017-05-01

    Hydrophobic surfaces were created by coating various substrates (aluminum sheet, soda-lime glass, silicon carbide polishing paper, glass with double-sided adhesive) with paint containing functionalized oxide particles. The paint was created by functionalizing oxide particles (ground ZnO, TiO2 nanoparticles, or TiO2 microparticles) with fluorosilane molecules in absolute ethanol. Water contact angle of samples shows that the coated substrate becomes hydrophobic (water contact angle ≥ 90°). Among the oxides that were used, ground ZnO yielded contact angle exemplifying superhydrophobicity (water contact angle ≥ 150°). Scanning electron micrograph of paint-containing TiO2 nanoparticles shows rough functionalized oxides structures which probably increase the hydrophobicity of the surface.

  12. Effect of surface oxidation on the nm-scale wear behavior of a metallic glass

    International Nuclear Information System (INIS)

    Caron, A.; Louzguine-Luzguin, D. V.; Sharma, P.; Inoue, A.; Shluger, A.; Fecht, H.-J.

    2011-01-01

    Metallic glasses are good candidates for applications in micromechanical systems. With size reduction of mechanical components into the micrometer and submicrometer range, the native surface oxide layer starts playing an important role in contact mechanical applications of metallic glasses. We use atomic force microscopy to investigate the wear behavior of the Ni 62 Nb 38 metallic glass with a native oxide layer and with an oxide grown after annealing in air. After the annealing, the wear rate is found to have significantly decreased. Also the dependency of the specific wear on the velocity is found to be linear in the case of the as spun sample while it follows a power law in the case of the sample annealed in air. We discuss these results in relation to the friction behavior and properties of the surface oxide layer obtained on the same alloy.

  13. Iron carbide on titania surface modified with group VA oxides as Fischer-Tropsch catalysts

    International Nuclear Information System (INIS)

    Wachs, I.E.; Fiato, R.A.; Chersich, C.C.

    1986-01-01

    A catalyst is described comprising iron carbide supported on a surface modified titania wherein the support comprises an oxide of a metal selected form the group consisting of niobium, vanadium, tantalum or mixture thereof supported on the titania wherein at least a portion of the supported oxide of niobium, vanandium, tantalum or mixture is in a non-crystalline form. The amount of the supported oxide ranges from about 0.5 to 25 weight percent metal oxide on the titania support based on the total support composition and the catalyst contains at least about 2 milligrams of iron, calculated as Fe/sub 2/O/sub 3/, per square meter of support surface

  14. Effect of dew point on the formation of surface oxides of twinning-induced plasticity steel

    International Nuclear Information System (INIS)

    Kim, Yunkyum; Lee, Joonho; Shin, Kwang-Soo; Jeon, Sun-Ho; Chin, Kwang-Geun

    2014-01-01

    The surface oxides of twinning-induced plasticity (TWIP) steel annealed at 800 °C for 43 s were investigated using transmission electron microscopy. During the annealing process, the oxygen potential was controlled by adjusting the dew point in a 15%H 2 –N 2 gas atmosphere. It was found that the type of surface oxides formed and the thickness of the oxide layer were determined by the dew point. In a gas mixture with a dew point of − 20 °C, a MnO layer with a thickness of ∼ 100 nm was formed uniformly on the steel surface. Under the MnO layer, a MnAl 2 O 4 layer with a thickness of ∼ 15 nm was formed with small Mn 2 SiO 4 particles that measured ∼ 70 nm in diameter. Approximately 500 nm below the MnAl 2 O 4 layer, Al 2 O 3 was formed at the grain boundaries. On the other hand, in a gas mixture with a dew point of − 40 °C, a MnAl 2 O 4 layer with a thickness of ∼ 5 nm was formed on most parts of the surface. On some parts of the surface, Mn 2 SiO 4 particles were formed irregularly up to a thickness of ∼ 50 nm. Approximately 200 nm below the MnAl 2 O 4 layer, Al 2 O 3 was found at the grain boundaries. Thermodynamic calculations were performed to explain the experimental results. The calculations showed that when a O2 > ∼ 1.26 × 10 −28 , MnO, MnAl 2 O 4 , and Mn 2 SiO 4 can be formed together, and the major oxide is MnO. When a O2 is in the range of 1.26 × 10 −28 –2.51 × 10 −31 , MnO is not stable but MnAl 2 O 4 is the major oxide. When a O2 < ∼ 2.51 × 10 −31 , only Al 2 O 3 is stable. Consequently, the effective activity of oxygen is considered the dominant factor in determining the type and shape of surface oxides of TWIP steel. - Highlights: • The surface oxides of TWIP steel annealed at 800 °C were investigated using TEM. • The surface oxides were determined by the dew point during the annealing process. • The activity of oxygen is the major factor determining the oxides of TWIP steel

  15. Surface and subsurface cleanup protocol for radionuclides, Gunnison, Colorado, UMTRA project processing site: Final

    International Nuclear Information System (INIS)

    1994-01-01

    Thorium 230 (Th-230) at the Gunnison, Colorado processing site will require remediation, however, a seasonally fluctuating groundwater table at the site significantly complicates conventional remedial action with respect to cleanup. Therefore, to effectively remediate the site with respect to Radium 226 (Ra-226) and Th-230, the following supplemental standard is proposed: In situ Ra-26 will be remediated to the EPA soil cleanup standards independent of groundwater considerations. In situ Th-230 concentrations will be remediated in the region above the encountered water table so the 1000-year projected Ra-226 concentration complies with the EPA soil cleanup concentration limits. If elevated Th-230 persists to the water table, an additional foot of excavation will be performed and the grid will be backfilled. Excavated grids will be backfilled to the final remedial action grade with clean cobbly soil. Final grid verification that is required below the water table will be performed by extracting and analyzing a single bulk soil sample with the bucket of a backhoe. Modeled surface radon flux values will be estimated and documented. A recommendation will be made that land records should be annotated to identify the presence of residual Th-230

  16. Oxide/water interfaces: how the surface chemistry modifies interfacial water properties

    International Nuclear Information System (INIS)

    Gaigeot, Marie-Pierre; Sprik, Michiel; Sulpizi, Marialore

    2012-01-01

    The organization of water at the interface with silica and alumina oxides is analysed using density functional theory-based molecular dynamics simulation (DFT-MD). The interfacial hydrogen bonding is investigated in detail and related to the chemistry of the oxide surfaces by computing the surface charge density and acidity. We find that water molecules hydrogen-bonded to the surface have different orientations depending on the strength of the hydrogen bonds and use this observation to explain the features in the surface vibrational spectra measured by sum frequency generation spectroscopy. In particular, ‘ice-like’ and ‘liquid-like’ features in these spectra are interpreted as the result of hydrogen bonds of different strengths between surface silanols/aluminols and water. (paper)

  17. Analysis of heterogeneous oxygen exchange and fuel oxidation on the catalytic surface of perovskite membranes

    KAUST Repository

    Hong, Jongsup

    2013-10-01

    The catalytic kinetics of oxygen surface exchange and fuel oxidation for a perovskite membrane is investigated in terms of the thermodynamic state in the immediate vicinity of or on the membrane surface. Perovskite membranes have been shown to exhibit both oxygen perm-selectivity and catalytic activity for hydrocarbon conversion. A fundamental description of their catalytic surface reactions is needed. In this study, we infer the kinetic parameters for heterogeneous oxygen surface exchange and catalytic fuel conversion reactions, based on permeation rate measurements and a spatially resolved physical model that incorporates detailed chemical kinetics and transport in the gas-phase. The conservation equations for surface and bulk species are coupled with those of the gas-phase species through the species production rates from surface reactions. It is shown that oxygen surface exchange is limited by dissociative/associative adsorption/desorption of oxygen molecules onto/from the membrane surface. On the sweep side, while the catalytic conversion of methane to methyl radical governs the overall surface reactions at high temperature, carbon monoxide oxidation on the membrane surface is dominant at low temperature. Given the sweep side conditions considered in ITM reactor experiments, gas-phase reactions also play an important role, indicating the significance of investigating both homogeneous and heterogeneous chemistry and their coupling when examining the results. We show that the local thermodynamic state at the membrane surface should be considered when constructing and examining models of oxygen permeation and heterogeneous chemistry. © 2013 Elsevier B.V.

  18. Analysis of heterogeneous oxygen exchange and fuel oxidation on the catalytic surface of perovskite membranes

    KAUST Repository

    Hong, Jongsup; Kirchen, Patrick; Ghoniem, Ahmed F.

    2013-01-01

    The catalytic kinetics of oxygen surface exchange and fuel oxidation for a perovskite membrane is investigated in terms of the thermodynamic state in the immediate vicinity of or on the membrane surface. Perovskite membranes have been shown to exhibit both oxygen perm-selectivity and catalytic activity for hydrocarbon conversion. A fundamental description of their catalytic surface reactions is needed. In this study, we infer the kinetic parameters for heterogeneous oxygen surface exchange and catalytic fuel conversion reactions, based on permeation rate measurements and a spatially resolved physical model that incorporates detailed chemical kinetics and transport in the gas-phase. The conservation equations for surface and bulk species are coupled with those of the gas-phase species through the species production rates from surface reactions. It is shown that oxygen surface exchange is limited by dissociative/associative adsorption/desorption of oxygen molecules onto/from the membrane surface. On the sweep side, while the catalytic conversion of methane to methyl radical governs the overall surface reactions at high temperature, carbon monoxide oxidation on the membrane surface is dominant at low temperature. Given the sweep side conditions considered in ITM reactor experiments, gas-phase reactions also play an important role, indicating the significance of investigating both homogeneous and heterogeneous chemistry and their coupling when examining the results. We show that the local thermodynamic state at the membrane surface should be considered when constructing and examining models of oxygen permeation and heterogeneous chemistry. © 2013 Elsevier B.V.

  19. Effect of surface roughness and surface modification of indium tin oxide electrode on its potential response to tryptophan

    International Nuclear Information System (INIS)

    Khan, Md. Zaved Hossain; Nakanishi, Takuya; Kuroiwa, Shigeki; Hoshi, Yoichi; Osaka, Tetsuya

    2011-01-01

    Highlights: → We examine factors affecting potential response of ITO electrode to tryptophan. → Surface roughness of ITO electrode affects the stability of its rest potential. → Surface modification is effective for ITO electrode with a certain roughness. → Optimum values of work function exist for potential response of ITO to tryptophan. - Abstract: The effect of surface modification of indium tin oxide (ITO) electrode on its potential response to tryptophan was investigated for ITO substrates with different surface roughness. It was found that a small difference in surface roughness, between ∼1 and ∼2 nm of R a evaluated by atomic force microscopy, affects the rest potential of ITO electrode in the electrolyte. A slight difference in In:Sn ratio at the near surface of the ITO substrates, measured by angle-resolved X-ray photoelectron spectrometry and Auger electron spectroscopy is remarkable, and considered to relate with surface roughness. Interestingly, successive modification of the ITO surface with aminopropylsilane and disuccinimidyl suberate, of which essentiality to the potential response to indole compounds we previously reported, improved the stability of the rest potential and enabled the electrodes to respond to tryptophan in case of specimens with R a values ranging between ∼2 and ∼3 nm but not for those with R a of ∼1 nm. It was suggested that there are optimum values of effective work function of ITO for specific potential response to tryptophan, which can be obtained by the successive modification of ITO surface.

  20. Characterization study of native oxides on GaAs(100) surface by XPS

    Science.gov (United States)

    Feng, Liu; Zhang, Lian-dong; Liu, Hui; Gao, Xiang; Miao, Zhuang; Cheng, Hong-chang; Wang, Long; Niu, Sen

    2013-08-01

    In order to know more about the surface state of GaAs(100) epitaxial wafer during a storage period of two years, the XPS analysis was carried out four times on the surface, respectively polished by chemical etching, stored in desiccator for half a year, one year and two years. The results indicated that even after cleaned by proper etchant solutions, the fresh surface was slightly oxidized with Ga2O3, As2O3 and organic contaminant. The epi-wafer was always exposed to air during the storage period, so more and more oxides turned out. The mixed oxide layer comprised of C-OR, COOR, Ga2O3, As2O3 and As2O5 appeared after only half a year. In the ageing process of two years, the oxide types of gallium or arsenic did not change with stable content of Ga2O3 and remarkably fluctuating relative contents of As2O3 and As2O5. Based on the intensity ratio of Ga 3d-Ga2O3 to Ga 3d-GaAs, the thickness of oxide layer was estimated. The oxide layer generated after chemical polishing was very thin, just only 0.435nm thick, and then it grew rapidly, approximately 1.822nm after one year while almost no change any more subsequently. It was indicated that after the epi-wafer was stored for one year, because of volatile As2O3 or As2O5, there remained a large amount of Ga2O3 in oxide layer, which prevented the reactions between bulk material and oxide layer with oxygen. So native oxide layer plays a role as passive film to protect epi-wafer against the environment during a long storage period.

  1. A TPD-MS study of glassy carbon surfaces oxidized by CO2 and O2

    Directory of Open Access Journals (Sweden)

    MILA D. LAUSEVIC

    2002-11-01

    Full Text Available The temperature-programmed desorption (TPD method combined with mass spectrometric (MS analysis has been applied to investigate the surface properties of carbon materials. The apparatus consisting of a temperature-programmed furnace and a quadrupole mass spectrometer was constructed in order to characterize the surface of differently treated glassy carbon samples. In this work, samples of glassy carbon exposed to air, CO2 and O2 were examined. The desorption of H2O, CO and CO2, as major products, indicated the presence of different oxide groups. The amount of these groups for all samples was calculated. It is concluded that oxidation affects the nature and the amount of the surface oxide groups and contributes to their increased stability.

  2. Surface oxidation: an effective way to induce piezoelectricity in 2D black phosphorus

    Science.gov (United States)

    Li, Jiabin; Zhao, Ting; He, Chaoyu; Zhang, Kaiwang

    2018-03-01

    In this letter, first-principles methods are employed to investigate the elastic stiffness and piezoelectric tensors of surface-oxidized black phosphorene. Our results show that the piezoelectric coefficients d 11 and d 12 for surface-oxidized black phosphorene are 88.54 pm V-1 and  -1.94 pm V-1, respectively, which are comparable to those of group-IV monochalcogenides and more remarkable than those of the experimentally viable h-BN and MoS2. These results indicate that surface-oxidization is an effective way to make black phosphorene into an excellent piezoelectric material for potential applications in sensors, actuators, electric field generators and any other applications requiring electrical and mechanical energy conversion. We expect further experimental exploration on this interesting result to confirm our predictions.

  3. An evaluation of the effect of surface chromium concentration on the oxidation of a stainless steel

    International Nuclear Information System (INIS)

    Lobb, R.C.; Evans, H.E.

    1983-01-01

    Short-term oxidation tests have been performed at 850 deg C in a CO 2 -based atmosphere on 20Cr-25Ni-Nb-stabilized steels previously exposed to dynamic vacuum at 1000 deg C. This pre-treatment preferentially removes chromium from the metal surface and is always detrimental to the oxidation properties. It is shown that porous, iron-rich oxides initially form on specimens with surface chromium concentrations 18.5 w/o chromium, a protective surface layer is produced. It is suggested that the transition between these extremes is determined by nucleation conditions and, in the present steels, it is shown how the metal grain size plays a significant role. (author)

  4. Surface structure and oxidation reactivity of oil sand coke particles

    Energy Technology Data Exchange (ETDEWEB)

    Fairbridge, C.; Palmer, A.D.; Ng, S.H.; Furimsky, E.

    1987-05-01

    Fractions of particles of varying mean diameter were isolated from coke obtained from the fluid coking of Athabasca bitumen. Correlations were established between the rate of oxygen sorption and the apparent surface area as measured by carbon dioxide adsorption. The rate of oxygen sorption, r/sub o/, could be related to particle radius, R, by r/sub o/ varying with R/sup D/ T over a range of particle size where D is the fractal dimension of the coke. The existence of such correlations may be related to the iterative processes which form the particles. 14 refs., 5 figs., 2 tabs.

  5. Defects in oxide surfaces studied by atomic force and scanning tunneling microscopy

    Directory of Open Access Journals (Sweden)

    Thomas König

    2011-01-01

    Full Text Available Surfaces of thin oxide films were investigated by means of a dual mode NC-AFM/STM. Apart from imaging the surface termination by NC-AFM with atomic resolution, point defects in magnesium oxide on Ag(001 and line defects in aluminum oxide on NiAl(110, respectively, were thoroughly studied. The contact potential was determined by Kelvin probe force microscopy (KPFM and the electronic structure by scanning tunneling spectroscopy (STS. On magnesium oxide, different color centers, i.e., F0, F+, F2+ and divacancies, have different effects on the contact potential. These differences enabled classification and unambiguous differentiation by KPFM. True atomic resolution shows the topography at line defects in aluminum oxide. At these domain boundaries, STS and KPFM verify F2+-like centers, which have been predicted by density functional theory calculations. Thus, by determining the contact potential and the electronic structure with a spatial resolution in the nanometer range, NC-AFM and STM can be successfully applied on thin oxide films beyond imaging the topography of the surface atoms.

  6. Thermodynamic and kinetic aspects on the selective surface oxidation of binary, ternary and quarternary model alloys

    International Nuclear Information System (INIS)

    Swaminathan, Srinivasan; Spiegel, Michael

    2007-01-01

    Segregation and selective oxidation phenomena of minor alloying elements during annealing of steel sheets lead to the formation of bare spots after hot dip galvanizing. In order to understand the influence of common alloying elements on the surface chemistry after annealing, model alloys of binary (Fe-2Si, Fe-2Mn and Fe-0.8Cr), ternary (Fe-2Mn-2Si, Fe-2Mn-0.8Cr and Fe-2Si-0.8Cr) and quarternary (Fe-2Mn-2Si-0.8Cr) systems were investigated. The specimens were annealed for 60 s at 820 deg. C in N 2 -5% H 2 gas atmospheres with different dew points -80 and -40 deg. C, respectively. Surface chemistry of the annealed specimens was obtained by using X-ray photoelectron spectroscopy (XPS). The field emission scanning electron microscopy (FE-SEM) was used to view surface morphology. At low dew point -80 deg. C, apart from the thermodynamical calculations such as solubility product of oxides and their critical solute concentrations, kinetics play a decisive role on the selective oxidation, i.e. oxygen competition. As expected, the amount of external selective oxidation of alloying elements are well pronounced at higher dew point -40 deg. C. An attempt has been made to explain the dominant process of Si and Mn on Cr-oxidation and segregation. It is observed that annealing of quarternary system at higher dew point shifts the Cr-oxidation from external to internal

  7. Effect of ion irradiation on the optical properties and room temperature oxidation of copper surface

    Energy Technology Data Exchange (ETDEWEB)

    Poperenko, L.V.; Ramadan Shaaban, Essam; Khanh, N.Q.; Stashchuk, V.S.; Vinnichenko, M.V.; Yurgelevich, I.V.; Nosach, D.V.; Lohner, T

    2004-05-01

    Ex situ and in situ spectroellipsometric investigation of room temperature oxidation of ion-implanted copper surface was performed. The ellipsometer is capable to measure simultaneously the ellipsometric parameters {psi} and {delta} at 88 different wavelength values in the range of 280-760 nm within a few minutes in the high precision operation mode using two zone averaging and within a fraction of a second in the one zone operation mode. The native oxide layer formed earlier on the surface of the copper was sputtered off during the aluminum ion implantation. In situ study of the growth of the newly formed native oxide layer on the ion implanted surface was carried out. Ion beam analytical measurements were performed to gain further information on the native oxide layer. The absolute number of the oxygen atoms in the native copper oxide layer was determined. The depth distribution of the implanted aluminum was extracted from Rutherford backscattering spectra. It is found that Al implantation enhanced the oxidation resistance.

  8. Effect of ion irradiation on the optical properties and room temperature oxidation of copper surface

    International Nuclear Information System (INIS)

    Poperenko, L.V.; Ramadan Shaaban, Essam; Khanh, N.Q.; Stashchuk, V.S.; Vinnichenko, M.V.; Yurgelevich, I.V.; Nosach, D.V.; Lohner, T.

    2004-01-01

    Ex situ and in situ spectroellipsometric investigation of room temperature oxidation of ion-implanted copper surface was performed. The ellipsometer is capable to measure simultaneously the ellipsometric parameters Ψ and Δ at 88 different wavelength values in the range of 280-760 nm within a few minutes in the high precision operation mode using two zone averaging and within a fraction of a second in the one zone operation mode. The native oxide layer formed earlier on the surface of the copper was sputtered off during the aluminum ion implantation. In situ study of the growth of the newly formed native oxide layer on the ion implanted surface was carried out. Ion beam analytical measurements were performed to gain further information on the native oxide layer. The absolute number of the oxygen atoms in the native copper oxide layer was determined. The depth distribution of the implanted aluminum was extracted from Rutherford backscattering spectra. It is found that Al implantation enhanced the oxidation resistance

  9. Thermodynamic and kinetic aspects on the selective surface oxidation of binary, ternary and quarternary model alloys

    Energy Technology Data Exchange (ETDEWEB)

    Swaminathan, Srinivasan [High Temperature Reactions Group, Department of Interface Chemistry and Surface Engineering, Max-Planck-Institut fuer Eisenforschung GmbH, Max-Planck-Str. 1, D-40237 Duesseldorf (Germany)]. E-mail: s.swaminathan@mpie.de; Spiegel, Michael [High Temperature Reactions Group, Department of Interface Chemistry and Surface Engineering, Max-Planck-Institut fuer Eisenforschung GmbH, Max-Planck-Str. 1, D-40237 Duesseldorf (Germany)

    2007-03-15

    Segregation and selective oxidation phenomena of minor alloying elements during annealing of steel sheets lead to the formation of bare spots after hot dip galvanizing. In order to understand the influence of common alloying elements on the surface chemistry after annealing, model alloys of binary (Fe-2Si, Fe-2Mn and Fe-0.8Cr), ternary (Fe-2Mn-2Si, Fe-2Mn-0.8Cr and Fe-2Si-0.8Cr) and quarternary (Fe-2Mn-2Si-0.8Cr) systems were investigated. The specimens were annealed for 60 s at 820 deg. C in N{sub 2}-5% H{sub 2} gas atmospheres with different dew points -80 and -40 deg. C, respectively. Surface chemistry of the annealed specimens was obtained by using X-ray photoelectron spectroscopy (XPS). The field emission scanning electron microscopy (FE-SEM) was used to view surface morphology. At low dew point -80 deg. C, apart from the thermodynamical calculations such as solubility product of oxides and their critical solute concentrations, kinetics play a decisive role on the selective oxidation, i.e. oxygen competition. As expected, the amount of external selective oxidation of alloying elements are well pronounced at higher dew point -40 deg. C. An attempt has been made to explain the dominant process of Si and Mn on Cr-oxidation and segregation. It is observed that annealing of quarternary system at higher dew point shifts the Cr-oxidation from external to internal.

  10. Work Function of Oxide Ultrathin Films on the Ag(100) Surface.

    Science.gov (United States)

    Sementa, Luca; Barcaro, Giovanni; Negreiros, Fabio R; Thomas, Iorwerth O; Netzer, Falko P; Ferrari, Anna Maria; Fortunelli, Alessandro

    2012-02-14

    Theoretical calculations of the work function of monolayer (ML) and bilayer (BL) oxide films on the Ag(100) surface are reported and analyzed as a function of the nature of the oxide for first-row transition metals. The contributions due to charge compression, charge transfer and rumpling are singled out. It is found that the presence of empty d-orbitals in the oxide metal can entail a charge flow from the Ag(100) surface to the oxide film which counteracts the decrease in the work function due to charge compression. This flow can also depend on the thickness of the film and be reduced in passing from ML to BL systems. A regular trend is observed along first-row transition metals, exhibiting a maximum for CuO, in which the charge flow to the oxide is so strong as to reverse the direction of rumpling. A simple protocol to estimate separately the contribution due to charge compression is discussed, and the difference between the work function of the bare metal surface and a Pauling-like electronegativity of the free oxide slabs is used as a descriptor quantity to predict the direction of charge transfer.

  11. Surface interactions affect the toxicity of engineered metal oxide nanoparticles toward Paramecium.

    Science.gov (United States)

    Li, Kungang; Chen, Ying; Zhang, Wen; Pu, Zhichao; Jiang, Lin; Chen, Yongsheng

    2012-08-20

    To better understand the potential impacts of engineered metal oxide nanoparticles (NPs) in the ecosystem, we investigated the acute toxicity of seven different types of engineered metal oxide NPs against Paramecium multimicronucleatum, a ciliated protozoan, using the 48 h LC(50) (lethal concentration, 50%) test. Our results showed that the 48 h LC(50) values of these NPs to Paramecium ranged from 0.81 (Fe(2)O(3) NPs) to 9269 mg/L (Al(2)O(3) NPs); their toxicity to Paramecium increased as follows: Al(2)O(3) Paramecium; this implies that metal oxide NPs with strong association with the cell surface might induce more severe cytotoxicity in unicellular organisms.

  12. Effect of mass density on surface morphology of electrodeposited manganese oxide films

    Science.gov (United States)

    Singh, Avtar; Kumar, Davinder; Thakur, Anup; Kaur, Raminder

    2018-05-01

    This work focus on high surface area morphology of manganese oxide films which are currently required for electrochemical capacitor electrode to enhance their performance. Electrodeposition of manganese oxide films was carried out using Chronoamperometry for different deposition time ranging from 30 to 120 sec. Cronoamperomertic I-T integrated data have been used to analyze active mass of all electrodeposited films. Morphological study of the deposited films with different mass was carried out through scanning electron microscopy. Film deposited for 30 sec time show highest porous morphology than others. Manganese oxide films with high porosity are suitable for electrochemical capacitor electrode.

  13. A parametric study of laser induced ablation-oxidation on porous silicon surfaces

    International Nuclear Information System (INIS)

    De Stefano, Luca; Rea, Ilaria; Nigro, M Arcangela; Della Corte, Francesco G; Rendina, Ivo

    2008-01-01

    We have investigated the laser induced ablation-oxidation process on porous silicon layers having different porosities and thicknesses by non-destructive optical techniques. In particular, the interaction between a low power blue light laser and the porous silicon surfaces has been characterized by variable angle spectroscopic ellipsometry and Fourier transform infrared spectroscopy. The oxidation profiles etched on the porous samples can be tuned as functions of the layer porosity and laser fluence. Oxide stripes of width less than 2 μm and with thicknesses between 100 nm and 5 μm have been produced, depending on the porosity of the porous silicon, by using a 40 x focusing objective

  14. Super-oxidation of silicon nanoclusters: magnetism and reactive oxygen species at the surface

    Energy Technology Data Exchange (ETDEWEB)

    Lepeshkin, Sergey; Baturin, Vladimir; Tikhonov, Evgeny; Matsko, Nikita; Uspenskii, Yurii; Naumova, Anastasia; Feya, Oleg; Schoonen, Martin A.; Oganov, Artem R.

    2016-01-01

    Oxidation of silicon nanoclusters depending on the temperature and oxygen pressure is explored from first principles using the evolutionary algorithm, and structural and thermodynamic analysis. From our calculations of 90 SinOm clusters we found that under normal conditions oxidation does not stop at the stoichiometric SiO2 composition, as it does in bulk silicon, but goes further placing extra oxygen atoms on the cluster surface. These extra atoms are responsible for light emission, relevant to reactive oxygen species and many of them are magnetic. We argue that the super-oxidation effect is size-independent and discuss its relevance to nanotechnology and miscellaneous applications, including biomedical ones.

  15. The Effect of Luting Cement and Titanium Base on the Final Color of Zirconium Oxide Core Material.

    Science.gov (United States)

    Capa, Nuray; Tuncel, Ilkin; Tak, Onjen; Usumez, Aslihan

    2017-02-01

    To evaluate the effects of different types of luting cements and different colors of zirconium cores on the final color of the restoration that simulates implant-supported fixed partial dentures (FPDs) by using a titanium base on the bottom. One hundred and twenty zirconium oxide core plates (Zr-Zahn; 10 mm in width, 5 mm in length, 0.5 mm in height) were prepared in different shades (n = 20; noncolored, A2, A3, B1, C2, D2). The specimens were subdivided into two subgroups for the two types of luting cements (n = 10). The initial color measurements were made on zirconium oxide core plates using a spectrometer. To create the cement thicknesses, stretch strips with holes in the middle (5 mm in diameter, 70 μm in height) were used. The second measurement was done on the zirconium oxide core plates after the application of the resin cement (U-200, A2 Shade) or polycarboxylate cement (Lumicon). The final measurement was done after placing the titanium discs (5 mm in diameter, 3 mm in height) in the bottom. The data were analyzed with two-way ANOVA and Tukey's honestly significant differences (HSD) tests (α = 0.05). The ∆E* ab value was higher in the resin cement-applied group than in the polycarboxylate cement-applied group (p zirconium oxide core-resin cement-titanium base, and the lowest was recorded for the polycarboxylate cement-zirconium oxide core (p zirconium are all important factors that determine the final shade of zirconia cores in implant-supported FPDs. © 2015 by the American College of Prosthodontists.

  16. Metal/metal-oxide interfaces: A surface science approach to the study of adhesion

    Energy Technology Data Exchange (ETDEWEB)

    Peden, C.H.F.; Kidd, K.B.; Shinn, N.D. (Sandia National Laboratories, Albuquerque, New Mexico 87185-5800 (USA))

    1991-05-01

    Metal-oxide/metal interfaces play an important role, for example, in the joining of an oxide ceramic to a metal for sealing applications. In order to probe the chemical and physical properties of such an interface, we have performed Auger electron spectroscopic (AES) and temperature programed desorption (TPD) experiments on a model system composed of very thin films of Cr, Fe, Ni, or Cu evaporated onto a very thin thermally grown oxide on a W single crystal. Monolayer films of Fe and Cr were found (by AES) to completely wet the oxide surface upon deposition, and were stable up to temperatures at which the films desorbed ({approx}1300 K). In contrast, monolayer Ni and Cu films formed three-dimensional islands exposing the oxidized W surface either upon annealing (Ni) or even upon room-temperature deposition (Cu). The relative interfacial interaction between the overlayer metal and the oxide, as assessed by TPD, increases in the series Cu{lt}Ni{lt}Fe{lt}Cr. This trend follows the heats of formation of the various oxides of these metals.

  17. Ozone Oxidation of Self-Assembled Monolayers on SiOx-Coated Zinc Selenide Surfaces

    Science.gov (United States)

    McIntire, T. M.; Ryder, O. S.; Finlayson-Pitts, B. J.

    2008-12-01

    Airborne particles are important for visibility, human health, climate, and atmospheric reactions. Atmospheric particles contain a significant fraction of organics and such compounds present on airborne particles are susceptible to oxidation by atmospheric oxidants, such as OH, ozone, halogen atoms, and nitrogen trioxide. Oxidized organics associated with airborne particles are thought to be polar, hygroscopic species with enhanced cloud-nucleating properties. Oxide layers on silicon, or SiO2-coated substrates, act as models of environmentally relevant surfaces such as dust particles upon which organics adsorb. We have shown previously that ozone oxidation of unsaturated self-assembled monolayers (SAMs) on silicon attenuated total reflectance (ATR) crystals leads to the formation of carbonyl groups and micron-sized, hydrophobic organic aggregates surrounded by carbon depleted substrate that do not have increased water uptake as previously assumed. Reported here are further ATR-FTIR studies of the oxidation of alkene SAMs on ZnSe and SiO2-coated ZnSe. These substrates have the advantage that they transmit below 1500 cm-1, allowing detection of additional product species. These experiments show that the loss of C=C and formation of carbonyl groups is also accompanied by formation of a peak at 1110 cm-1, attributed to the secondary ozonide. Details concerning the products and mechanism of ozonolysis of alkene SAMs on surfaces based on these new data are presented and the implications for the oxidation of alkenes on airborne dust particles are discussed.

  18. Plasma decontamination of uranium oxide from stainless steel surfaces

    International Nuclear Information System (INIS)

    Veilleux, J.M.; El-Genk, M.S.; Chamberlin, E.P.

    1997-01-01

    The U.S. Department of Energy (DOE) is expected to have 845000 m 3 of transuranic (TRU) waste by the year 2000 that has accumulated during the development and assembly of the nation's nuclear stockpile. The TRU disposal costs alone range up to $28000/m 3 , which could be reduced to $1800/m 3 or less by treating and converting the material to low-level waste. Plasma-based processes have been shown to remove plutonium and uranium surface contaminants from metallic components and could be used to treat TRU with significant cost avoidance, estimated at over $1.0 billion. Martz and Hess conducted the initial work of plutonium etching in low-power radio-frequency (rf) plasma with etch rates ranging from 0.007 to 0.025 kg/m 2 ·h. Veilleux et al. reported that plasma decontamination of uranium from the interior of aluminum objects results in etch rates an order of magnitude greater. The current work reports on removal rates of uranium from stainless steel surfaces and includes estimates of the etch rates and characteristic times for removal

  19. Computerized infrared spectroscopic study of surface reactions on selected lanthanide oxides

    International Nuclear Information System (INIS)

    Dellisante, G.N.

    1982-01-01

    The natures of adsorption sites on La 2 O 3 , Nd 2 O 3 , and selected praseodymium oxides were investigated by examining surface reactions of probe molecules using computerized transmission ir spectroscopy on unsupported samples. Additionally, the rehydration/dehydration behavior and crystallographic phase transitions of these oxides were examined in pretreatment temperature experiments involving rehydration of the sesquioxides to hydroxides by water exposure. Following rehydration of La 2 O 3 to La(OH) 3 , the effect of increasing vacuum pretreatment temperature (350 to 1000 0 C) is to gradually remove surface hydroxyl and carbonate entities (up to 650 0 C), and increase the degree of A-type crystallinity. Increasing crystallinity causes a concomitant decrease in surface oxide basicity. The removal of hydroxyl and carbonate species, as well as increases in oxide basicity, strongly correlated to increases in certain catalytic activities. The adsorption of NH 3 , CO 2 , mixtures of NH 3 and CO 2 , formic acid, acetic acid, acetaldehyde, and ethanol on the oxides was determined to weakly coordinate in Ln 3 + sites, and the surface reactions are discussed. Heating was found to desorb the adsorbed compounds and/or causes changes of the originally adsorbed form into other compounds. The effects of temperature on both adsorption and desorption are reported

  20. Thorium binding by biochar fibres derived from Luffa Cylindrica after controlled surface oxidation

    Science.gov (United States)

    Liatsou, Ioanna; Christodoulou, Eleni; Paschalidis, Ioannis

    2017-04-01

    Controlled surface modification of biochar fibres derived from Luffa Cylindrica sponges has been carried out by nitric acid and the degree of oxidation could be controlled by changing the acid concentration or the reaction time. The extent of surface oxidation has been quantified by acid-base titration and FTIR-spectroscopy. Furthermore, thorium binding has been studied as a function of various parameters and the experimental results show that even under strong acidic conditions the relative sorption is above 70% and the sorption capacity of the biochar fibres for Th(IV) at pH 3 is qmax= 70 gṡkg-1.

  1. A process to enhance the specific surface area and capacitance of hydrothermally reduced graphene oxide

    KAUST Repository

    Alazmi, Amira

    2016-08-26

    The impact of post-synthesis processing in reduced graphene oxide materials for supercapacitor electrodes has been analyzed. A comparative study of vacuum, freeze and critical point drying was carried out for hydrothermally reduced graphene oxide demonstrating that the optimization of the specific surface area and preservation of the porous network are critical to maximize its supercapacitance performance. As described below, using a supercritical fluid as the drying medium, unprecedented values of the specific surface area (364 m2 g−1) and supercapacitance (441 F g−1) for this class of materials have been achieved.

  2. Iron oxidation kinetics and phosphorus immobilization at the groundwater-surface water interface

    Science.gov (United States)

    van der Grift, Bas; Rozemeijer, Joachim; Griffioen, Jasper; van der Velde, Ype

    2014-05-01

    Eutrophication of freshwater environments following diffuse nutrient loads is a widely recognized water quality problem in catchments. Fluxes of non-point P sources to surface waters originate from surface runoff and flow from soil water and groundwater into surface water. The availability of P in surface waters is controlled strongly by biogeochemical nutrient cycling processes at the soil-water interface. The mechanisms and rates of the iron oxidation process with associated binding of phosphate during exfiltration of anaerobic Fe(II) bearing groundwater are among the key unknowns in P retention processes in surface waters in delta areas where the shallow groundwater is typically pH-neutral to slightly acid, anoxic, iron-rich. We developed an experimental field set-up to study the dynamics in Fe(II) oxidation and mechanisms of P immobilization at the groundwater-surface water interface in an agricultural experimental catchment of a small lowland river. We physically separated tube drain effluent from groundwater discharge before it entered a ditch in an agricultural field. The exfiltrating groundwater was captured in in-stream reservoirs constructed in the ditch. Through continuous discharge measurements and weekly water quality sampling of groundwater, tube drain water, exfiltrated groundwater, and ditch water, we quantified Fe(II) oxidation kinetics and P immobilization processes across the seasons. This study showed that seasonal changes in climatic conditions affect the Fe(II) oxidation process. In winter time the dissolved iron concentrations in the in-stream reservoirs reached the levels of the anaerobic groundwater. In summer time, the dissolved iron concentrations of the water in the reservoirs are low, indicating that dissolved Fe(II) is completely oxidized prior to inflow into the reservoirs. Higher discharges, lower temperatures and lower pH of the exfiltrated groundwater in winter compared to summer shifts the location of the redox transition zone

  3. A process to enhance the specific surface area and capacitance of hydrothermally reduced graphene oxide

    KAUST Repository

    Alazmi, Amira; El Tall, Omar; Rasul, Shahid; Hedhili, Mohamed N.; Patole, Shashikant P.; Da Costa, Pedro M. F. J.

    2016-01-01

    The impact of post-synthesis processing in reduced graphene oxide materials for supercapacitor electrodes has been analyzed. A comparative study of vacuum, freeze and critical point drying was carried out for hydrothermally reduced graphene oxide demonstrating that the optimization of the specific surface area and preservation of the porous network are critical to maximize its supercapacitance performance. As described below, using a supercritical fluid as the drying medium, unprecedented values of the specific surface area (364 m2 g−1) and supercapacitance (441 F g−1) for this class of materials have been achieved.

  4. Effects of surface crystallization and oxidation in nanocrystalline FeNbCuSiB(P) ribbons

    Energy Technology Data Exchange (ETDEWEB)

    Butvinová, B., E-mail: beata.butvinova@savba.sk [Institute of Physics SAS, Dúbravská cesta 9, 845 11 Bratislava (Slovakia); Butvin, P. [Institute of Physics SAS, Dúbravská cesta 9, 845 11 Bratislava (Slovakia); Brzózka, K. [Department of Physics, University of Technology and Humanities in Radom, Krasickiego 54, 26-600 Radom (Poland); Kuzminski, M. [Institute of Physics PAS, Al. Lotnikow 36/42, 02-668 Warsaw (Poland); Maťko, I.; Švec Sr, P. [Institute of Physics SAS, Dúbravská cesta 9, 845 11 Bratislava (Slovakia); Chromčíková, M. [Institute of Inorg. Chem. SAS, Centrum VILA, Študentská 2, 911 50 Trenčín (Slovakia)

    2017-02-15

    Si-poor Fe{sub 74}Nb{sub 3}Cu{sub 1}Si{sub 8}B{sub 14−x}P{sub x}, (x=0, 3) nanocrystalline ribbon-form alloys often form surfaces, which exert in-plane force on underlying ribbon interior when nanocrystallized in even modest presence of oxygen. Mostly unwanted hard-ribbon-axis magnetic anisotropy is standard result. Essential sources of the surface-caused stress have been sought and influence of P instead of B substitution on this effect was studied too. Preferred surface crystallization (PSC) was found to be the major reason. However P substitution suppresses PSC and promotes Fe-oxide formation, which eases the stress, softens the surfaces and provides different annealing evolution of surface properties. - Highlights: • Ar anneal of low-Si FeNbCuBSi ribbons produce surfaces that stress ribbon interior. • The stress comes mainly from preferred crystallization of surfaces. • Partial substitution of B by P changes annealing evolution of surface properties. • Without P, more crystalline surfaces significantly reduce ribbon's elasticity. • P suppresses surface crystallinity, promotes oxides and reduces mutual stress.

  5. Fluorine-doped tin oxide surfaces modified by self-assembled alkanethiols for thin-film devices

    Energy Technology Data Exchange (ETDEWEB)

    Alves, A.C.T.; Gomes, D.J.C.; Silva, J.R.; Silva, G.B., E-mail: george@cpd.ufmt.br

    2013-08-15

    In this work, we have investigated self-assembled monolayers (SAMs) from alkanethiols on fluorine-doped tin oxide (FTO) surfaces, which were used as an anode for thin-film devices prepared from the conductive copolymer so-called sulfonated poly(thiophene-3-[2-(2-methoxyethoxy) ethoxy]-2,5-diyl) (S-P3MEET). The assembled monolayers were characterized by using wetting contact angle, atomic force microscopy, and electrical measurements. The results indicated that dodecanethiol molecules, CH{sub 3}(CH{sub 2}){sub 11}SH, were well assembled on the FTO surfaces. In addition, it was found similar values of wetting contact angle for dodecanethiol assembled on both FTO and Au surfaces. Concerning the thin-film device, current–voltage analysis revealed a hysteresis. This behavior was associated to a charge-trapping effect and also to structural changes of the SAMs. Finally, charge injection capability of tin oxide electrodes can be improved by using SAMs and then this approach can plays an important role in molecular-scale electronic devices.

  6. Anchoring of alkyl chain molecules on oxide surface using silicon alkoxide

    Energy Technology Data Exchange (ETDEWEB)

    Narita, Ayumi, E-mail: narita.ayumi@jaea.go.jp [Quantum Beam Science Directorate, Japan Atomic Energy Agency, Tokai-mura, Naka-gun, Ibaraki-ken 319-1195 (Japan); Graduate School of Science and Engineering, Ibaraki University, Bunnkyo, Mito-shi, Ibaraki-ken 310-8512 (Japan); Baba, Yuji; Sekiguchi, Tetsuhiro; Shimoyama, Iwao; Hirao, Norie [Quantum Beam Science Directorate, Japan Atomic Energy Agency, Tokai-mura, Naka-gun, Ibaraki-ken 319-1195 (Japan); Yaita, Tsuyoshi [Quantum Beam Science Directorate, Japan Atomic Energy Agency, Tokai-mura, Naka-gun, Ibaraki-ken 319-1195 (Japan); Graduate School of Science and Engineering, Ibaraki University, Bunnkyo, Mito-shi, Ibaraki-ken 310-8512 (Japan)

    2012-01-01

    Chemical states of the interfaces between octadecyl-triethoxy-silane (ODTS) molecules and sapphire surface were measured by X-ray photoelectron spectroscopy (XPS) and near edge X-ray absorption fine structure (NEXAFS) using synchrotron soft X-rays. The nearly self-assembled monolayer of ODTS was formed on the sapphire surface. For XPS and NEXAFS measurements, it was elucidated that the chemical bond between silicon alkoxide in ODTS and the surface was formed, and the alkane chain of ODTS locates upper side on the surface. As a result, it was elucidated that the silicon alkoxide is a good anchor for the immobilization of organic molecules on oxides.

  7. Adhesion mapping of chemically modified and poly(ethylene oxide)-grafted glass surfaces

    OpenAIRE

    Jogikalmath, G.; Stuart, J.K.; Pungor, A.; Hlady, V.

    1999-01-01

    Two-dimensional mapping of the adhesion pull-off forces was used to study the origin of surface heterogeneity in the grafted poly(ethylene oxide) (PEO) layer. The variance of the pull-off forces measured over the μm-sized regions after each chemical step of modifying glass surfaces was taken to be a measure of the surface chemical heterogeneity. The attachment of γ-glycidoxypropyltrimethoxy silane (GPS) to glass decreased the pull-off forces relative to the clean glass and made the surface mo...

  8. Indium-tin oxide surface treatments: Effects on the performance of liquid crystal devices

    International Nuclear Information System (INIS)

    Abderrahmen, A.; Romdhane, F.F.; Ben Ouada, H.; Gharbi, A.

    2006-01-01

    In this work, we investigate the effect of indium tin oxide (ITO) substrate cleaning on the surface properties. Wettability technique was used to measure the contact angle and the surface energy of the different treated ITO substrates. It is found that treatment with the methanol without dehydration gives the lowest water contact angle (most hydrophilic surface) and the highest surface energy compared to other solvents. This result was confirmed by impedance measurements performed on nematic liquid crystal cells with ITO electrodes. Indeed, we check the decrease of ionic entities in the interface ITO/liquid crystal. The polarity and dielectric parameters of the used solvents explain the obtained results

  9. Indium-tin oxide surface treatments: Effects on the performance of liquid crystal devices

    Energy Technology Data Exchange (ETDEWEB)

    Abderrahmen, A. [Laboratoire de physique et chimie des interfaces, Faculte des sciences, 5000, Monastir (Tunisia)]. E-mail: asma_abderrahmen@yahoo.fr; Romdhane, F.F. [Laboratoire de la matiere molle, Faculte des sciences, Tunis (Tunisia); Ben Ouada, H. [Laboratoire de physique et chimie des interfaces, Faculte des sciences, 5000, Monastir (Tunisia); Gharbi, A. [Laboratoire de la matiere molle, Faculte des sciences, Tunis (Tunisia)

    2006-03-15

    In this work, we investigate the effect of indium tin oxide (ITO) substrate cleaning on the surface properties. Wettability technique was used to measure the contact angle and the surface energy of the different treated ITO substrates. It is found that treatment with the methanol without dehydration gives the lowest water contact angle (most hydrophilic surface) and the highest surface energy compared to other solvents. This result was confirmed by impedance measurements performed on nematic liquid crystal cells with ITO electrodes. Indeed, we check the decrease of ionic entities in the interface ITO/liquid crystal. The polarity and dielectric parameters of the used solvents explain the obtained results.

  10. Effect of surface oxidation on thermomechanical behavior of NiTi shape memory alloy wire

    Science.gov (United States)

    Ng, Ching Wei; Mahmud, Abdus Samad

    2017-12-01

    Nickel titanium (NiTi) alloy is a unique alloy that exhibits special behavior that recovers fully its shape after being deformed to beyond elastic region. However, this alloy is sensitive to any changes of its composition and introduction of inclusion in its matrix. Heat treatment of NiTi shape memory alloy to above 600 °C leads to the formation of the titanium oxide (TiO2) layer. Titanium oxide is a ceramic material that does not exhibit shape memory behaviors and possess different mechanical properties than that of NiTi alloy, thus disturbs the shape memory behavior of the alloy. In this work, the effect of formation of TiO2 surface oxide layer towards the thermal phase transformation and stress-induced deformation behaviors of the NiTi alloy were studied. The NiTi wire with composition of Ti-50.6 at% Ni was subjected to thermal oxidation at 600 °C to 900 °C for 30 and 60 minutes. The formation of the surface oxide layers was characterized by using the Scanning Electron Microscope (SEM). The effect of surface oxide layers with different thickness towards the thermal phase transformation behavior was studied by using the Differential Scanning Calorimeter (DSC). The effect of surface oxidation towards the stress-induced deformation behavior was studied through the tensile deformation test. The stress-induced deformation behavior and the shape memory recovery of the NiTi wire under tensile deformation were found to be affected marginally by the formation of thick TiO2 layer.

  11. Final Report: Molecular Basis for Microbial Adhesion and Geochemical Surface Reactions: A Study Across Scales

    Energy Technology Data Exchange (ETDEWEB)

    Dixon, David Adams [The University of Alabama

    2013-06-27

    Computational chemistry was used to help provide a molecular level description of the interactions of Gram-negative microbial membranes with subsurface materials. The goal is to develop a better understanding of the molecular processes involved in microbial metal binding, microbial attachment to mineral surfaces, and, eventually, oxidation/reduction reactions (electron transfer) that can occur at these surfaces and are mediated by the bacterial exterior surface. The project focused on the interaction of the outer microbial membrane, which is dominated by an exterior lipopolysaccharide (LPS) portion, of Pseudomonas aeruginosa with the mineral goethite and with solvated ions in the environment. This was originally a collaborative project with T.P. Straatsma and B. Lowery of the Pacific Northwest National Laboratory. The University of Alabama effort used electronic structure calculations to predict the molecular behavior of ions in solution and the behavior of the sugars which form a critical part of the LPS. The interactions of the sugars with metal ions are expected to dominate much of the microscopic structure and transport phenomena in the LPS. This work, in combination with the molecular dynamics simulations of Straatsma and the experimental electrochemistry and microscopy measurements of Lowry, both at PNNL, is providing new insights into the detailed molecular behavior of these membranes in geochemical environments. The effort at The University of Alabama has three components: solvation energies and structures of ions in solution, prediction of the acidity of the critical groups in the sugars in the LPS, and binding of metal ions to the sugar anions. An important aspect of the structure of the LPS membrane as well as ion transport in the LPS is the ability of the sugar side groups such as the carboxylic acids and the phosphates to bind positively charged ions. We are studying the acidity of the acidic side groups in order to better understand the ability of

  12. Development of highly faceted reduced graphene oxide-coated copper oxide and copper nanoparticles on a copper foil surface

    Directory of Open Access Journals (Sweden)

    Rebeca Ortega-Amaya

    2016-07-01

    Full Text Available This work describes the formation of reduced graphene oxide-coated copper oxide and copper nanoparticles (rGO-Cu2ONPs, rGO-CuNPs on the surface of a copper foil supporting graphene oxide (GO at annealing temperatures of 200–1000 °C, under an Ar atmosphere. These hybrid nanostructures were developed from bare copper oxide nanoparticles which grew at an annealing temperature of 80 °C under nitrogen flux. The predominant phase as well as the particle size and shape strongly depend on the process temperature. Characterization with transmission electron microscopy and scanning electron microscopy indicates that Cu or Cu2O nanoparticles take rGO sheets from the rGO network to form core–shell Cu–rGO or Cu2O–rGO nanostructures. It is noted that such ones increase in size from 5 to 800 nm as the annealing temperature increases in the 200–1000 °C range. At 1000 °C, Cu nanoparticles develop a highly faceted morphology, displaying arm-like carbon nanorods that originate from different facets of the copper crystal structure.

  13. A method of eliminating the surface defect in low-temperature oxidation powder added UO2 pellet

    International Nuclear Information System (INIS)

    Yoo, H. S.; Lee, S. J.; Kim, J. I.; Jeon, K. R.; Kim, J. W.

    2002-01-01

    A study on methods to eliminate surface defect shown in low-temperature oxidation powder added UO 2 pellet has been performed. Powders oxidized at 350 .deg. C for 4 hrs were prepared and mixed with UO 2 powder after crushing them. After being sintered, surfaces of the pellet were inspected both visually and optically. A large number of defects were observed on the surface of the specimens in which low-temperature oxidation powders were directly mixed or master mixed with UO 2 powder while both specimens produced from mixed powders including milled oxidation powders and powders that were milled totally after mixing had clean surfaces. However, optical examination showed considerably large defected pores in the milled oxidation powder added pellet and it was confirmed that the inner defects can be eliminated completely only when milling the entire mixture on UO 2 and low-temperature oxidation powder, but not by crushing only oxidation powder

  14. Unraveling the Role of Transport, Electrocatalysis, and Surface Science in the Solid Oxide Fuel Cell Cathode Oxygen Reduction Reaction

    Energy Technology Data Exchange (ETDEWEB)

    Gopalan, Srikanth [Boston Univ., MA (United States)

    2017-04-06

    This final report for project FE0009656 covers the period from 10/01/2012 to 09/30/2015 and covers research accomplishments on the effects of carbon dioxide on the surface composition and structure of cathode materials for solid oxide fuel cells (SOFCs), specifically La1-xSrxFeyCo1- yO3-δ (LSCF). Epitaxially deposited thin films of LSCF on various single-crystal substrates have revealed the selective segregation of strontium to the surface thereby resulting in a surface enrichment of strontium. The near surface compositional profile in the films have been measured using total x-ray fluorescence (TXRF), and show that the kinetics of strontium segregation are higher at higher partial pressures of carbon dioxide. Once the strontium segregates to the surface, it leads to the formation of precipitates of SrO which convert to SrCO3 in the presence of even modest concentrations of carbon dioxide in the atmosphere. This has important implications for the performance of SOFCs which is discussed in this report. These experimental observations have also been verified by Density Functional Theory calculations (DFT) which predict the conditions under which SrO and SrCO3 can occur in LSCF. Furthermore, a few cathode compositions which have received attention in the literature as alternatives to LSCF cathodes have been studied in this work and shown to be thermodynamically unstable under the operating conditions of the SOFCs.

  15. Plasma surface oxidation of 316L stainless steel for improving adhesion strength of silicone rubber coating to metal substrate

    Energy Technology Data Exchange (ETDEWEB)

    Latifi, Afrooz, E-mail: afroozlatifi@yahoo.com [Department of Biomaterials, Biomedical Engineering Faculty, Science and Research Branch, Islamic Azad University, Tehran (Iran, Islamic Republic of); Imani, Mohammad [Novel Drug Delivery Systems Dept., Iran Polymer and Petrochemical Institute, P.O. Box 14965/115, Tehran (Iran, Islamic Republic of); Khorasani, Mohammad Taghi [Biomaterials Dept., Iran Polymer and Petrochemical Institute, P.O. Box 14965/159, Tehran (Iran, Islamic Republic of); Daliri Joupari, Morteza [Animal and Marine Biotechnology Dept., National Institute of Genetic Engineering and Biotechnology, P.O. Box 14965/161, Tehran (Iran, Islamic Republic of)

    2014-11-30

    Highlights: • Stainless steel 316L was surface modified by plasma surface oxidation (PSO) and silicone rubber (SR) coating. • On the PSO substrates, concentration of oxide species was increased ca. 2.5 times comparing to non-PSO substrates. • The surface wettability was improved to 12.5°, in terms of water contact angle, after PSO. • Adhesion strength of SR coating on the PSO substrates was improved by more than two times comparing to non-PSO ones. • After pull-off test, the fractured area patterns for SR coating were dependent on the type of surface modifications received. - Abstract: Stainless steel 316L is one of the most widely used materials for fabricating of biomedical devices hence, improving its surface properties is still of great interest and challenging in biomaterial sciences. Plasma oxidation, in comparison to the conventional chemical or mechanical methods, is one of the most efficient methods recently used for surface treatment of biomaterials. Here, stainless steel specimens were surface oxidized by radio-frequency plasma irradiation operating at 34 MHz under pure oxygen atmosphere. Surface chemical composition of the samples was significantly changed after plasma oxidation by appearance of the chromium and iron oxides on the plasma-oxidized surface. A wettable surface, possessing high surface energy (83.19 mN m{sup −1}), was observed after plasma oxidation. Upon completion of the surface modification process, silicone rubber was spray coated on the plasma-treated stainless steel surface. Morphology of the silicone rubber coating was investigated by scanning electron microscopy (SEM). A uniform coating was formed on the oxidized surface with no delamination at polymer–metal interface. Pull-off tests showed the lowest adhesion strength of coating to substrate (0.12 MPa) for untreated specimens and the highest (0.89 MPa) for plasma-oxidized ones.

  16. Solid Oxide Fuel Cell Cathodes. Unraveling the Relationship Between Structure, Surface Chemistry and Oxygen Reduction

    Energy Technology Data Exchange (ETDEWEB)

    Gopalan, Srikanth [Boston Univ., MA (United States)

    2013-03-31

    In this work we have considered oxygen reduction reaction on LSM and LSCF cathode materials. In particular we have used various spectroscopic techniques to explore the surface composition, transition metal oxidation state, and the bonding environment of oxygen to understand the changes that occur to the surface during the oxygen reduction process. In a parallel study we have employed patterned cathodes of both LSM and LSCF cathodes to extract transport and kinetic parameters associated with the oxygen reduction process.

  17. Alloying Au surface with Pd reduces the intrinsic activity in catalyzing CO oxidation

    KAUST Repository

    Qian, Kun

    2016-03-30

    © 2016. Various Au-Pd/SiO2 catalysts with a fixed Au loading but different Au:Pd molar ratios were prepared via deposition-precipitation method followed by H2 reduction. The structures were characterized and the catalytic activities in CO oxidation were evaluated. The formation of Au-Pd alloy particles was identified. The Au-Pd alloy particles exhibit enhanced dispersions on SiO2 than Au particles. Charge transfer from Pd to Au within Au-Pd alloy particles. Isolated Pd atoms dominate the surface of Au-Pd alloy particles with large Au:Pd molar ratios while contiguous Pd atoms dominate the surface of Au-Pd alloy particles with small Au:Pd molar ratios. Few synergetic effect of Au-Pd alloy occurs on catalyzing CO oxidation under employed reaction conditions. Alloying Au with Pd reduces the intrinsic activity in catalyzing CO oxidation, and contiguous Pd atoms on the Au-Pd alloy particles are capable of catalyzing CO oxidation while isolated Pd atoms are not. These results advance the fundamental understandings of Au-Pd alloy surfaces in catalyzing CO oxidation.

  18. Reactivity of surface of metal oxide particles: from adsorption of ions to deposition of colloidal particles

    International Nuclear Information System (INIS)

    Lefevre, Gregory

    2010-01-01

    In this Accreditation to supervise research (HDR), the author proposes an overview of his research works in the field of chemistry. These works more particularly addressed the understanding of the surface reactivity of metal oxide particles and its implication on sorption and adherence processes. In a first part, he addresses the study of surface acidity-alkalinity: measurement of surface reactivity by acid-base titration, stability of metal oxides in suspension, effect of morphology on oxide-hydroxide reactivity. The second part addresses the study of sorption: reactivity of iron oxides with selenium species, sorption of sulphate ions on magnetite, attenuated total reflection infrared spectroscopy (ATR-IR). Adherence effects are addressed in the third part: development of an experimental device to study adherence in massive substrates, deposition of particles under turbulent flow. The last part presents a research project on the effect of temperature on ion sorption at solids/solutions interfaces, and on the adherence of metal oxide particles. The author gives his detailed curriculum, and indicates his various publications, teaching activities, research and administrative responsibilities

  19. Using Iron-Manganese Co-Oxide Filter Film to Remove Ammonium from Surface Water.

    Science.gov (United States)

    Zhang, Ruifeng; Huang, Tinglin; Wen, Gang; Chen, Yongpan; Cao, Xin; Zhang, Beibei

    2017-07-19

    An iron-manganese co-oxide filter film (MeO x ) has been proven to be a good catalyst for the chemical catalytic oxidation of ammonium in groundwater. Compared with groundwater, surface water is generally used more widely and has characteristics that make ammonium removal more difficult. In this study, MeO x was used to remove ammonium from surface water. It indicated that the average ammonium removal efficiency of MeO x was greater than 90%, even though the water quality changed dramatically and the water temperature was reduced to about 6-8 °C. Then, through inactivating microorganisms, it showed that the removal capability of MeO x included both biological (accounted for about 41.05%) and chemical catalytic oxidation and chemical catalytic oxidation (accounted for about 58.95%). The investigation of the characterizations suggested that MeO x was formed by abiotic ways and the main elements on the surface of MeO x were distributed homogenously. The analysis of the catalytic oxidation process indicated that ammonia nitrogen may interact with MeO x as both ammonia molecules and ammonium ions and the active species of O₂ were possibly • O and O₂ - .

  20. Determination of surface oxide compositions on Alloy 600 using Rutherford backscattering

    International Nuclear Information System (INIS)

    Hanson, A.L.; Kraner, H.W.

    1984-01-01

    The surface composition of oxides formed on Alloy 600 under conditions similar to those in the primary side of PWR heat exchangers has been studied as a function of potential using Rutherford backscattering and proton inelastic scattering. Electropolished samples of Alloy 600 were exposed at several potentials to a solution of 0.18M H 3 BO 3 (2000ppm B) with 0.21mM LiOH (1.5ppm Li) at 300 0 C for 450 hours. The potentials relative to an internal hydrogen electrode ranged from -.09 to 750 mV. RBS analysis showed little or no oxide formation on samples exposed at 0 mV. Above 0 mV oxide layers formed whose thicknesses increased with potential. In addition the RBS showed a significantly enhanced concentration of aluminum and silicon in oxide. Both the oxygen and the sum of the aluminum and silicon content appeared to maintain a fixed surface concentration independent of the oxide thickness. Boron and lithium concentrations were analyzed with proton inelastic scattering. No lithium was detected in any sample. The boron concentration was found to follow the thickness of the oxide

  1. Determination of surface oxide compositions on Alloy 600 using Rutherford backscattering

    International Nuclear Information System (INIS)

    Hanson, A.L.; Isaacs, H.S.; Kraner, H.W.

    1984-01-01

    The surface composition of oxides formed on Alloy 600 under conditions similar to those in the primary side of PWR heat exchangers has been studied as a function of potential using Rutherford backscattering and proton inelastic scattering. Electropolished samples of Alloy 600 were exposed at several potentials to a solution of 0.18M H 3 BO 3 (2000 ppM B) with 0.28M LiOH (1.4 ppM Li) at 300 0 C for 450 hours. The potentials relative to an internal hydrogen electrode ranged from -.09 to 750 mV. RBS analysis showed little or no oxide formation on samples exposed at 0 mV. Above 0 mV oxide layers formed whose thicknesses increased with potential. In addition the RBS showed a significantly enhanced concentration of aluminum and silicon in oxide. Both the oxygen and the sum of the aluminum and silicon content appeared to maintain a fixed surface concentration independent of the oxide thickness. Boron and lithium concentration were analyzed with proton inelastic scattering. No lithium was found in any sample. The boron concentration was found to follow the thickness of the oxide

  2. Zirconium oxide crystal phase: The role of the pH and time to attain the final pH for precipitation of the hydrous oxide

    International Nuclear Information System (INIS)

    Srinivasan, R.; Harris, M.B.; Simpson, S.F.; De Angelis, R.J.; Davis, B.H.

    1988-01-01

    Precipitated hydrous zirconium oxide can be calcined to produce either a monoclinic or tetragonal product. It has been observed that the time taken to attain the final pH of the solution in contact with the precipitate plays a dominant role in determining the crystal structure of the zirconium oxide after calcination at 500 0 C. The dependence of crystal structure on the rate of precipitation is observed only in the pH range 7--11. Rapid precipitation in this pH range yields predominately monoclinic zirconia, whereas slow (8 h) precipitation produces the tetragonal phase. At pH of approximately 13.0, only the tetragonal phase is formed from both slowly and rapidly precipitated hydrous oxide. The present results, together with earlier results, show that both the pH of the supernatant liquid and the time taken to attain this pH play dominant roles in determining the crystal structure of zirconia that is formed after calcination of the hydrous oxide. The factors that determine the crystal phase are therefore imparted in a mechanism of precipitation that depends upon the pH, and it is inferred that it is the hydroxyl concentration that is the dominant factor

  3. Surface strontium enrichment on highly active perovskites for oxygen electrocatalysis in solid oxide fuel cells

    KAUST Repository

    Crumlin, Ethan J.; Mutoro, Eva; Liu, Zhi; Grass, Michael E.; Biegalski, Michael D.; Lee, Yueh-Lin; Morgan, Dane; Christen, Hans M.; Bluhm, Hendrik; Shao-Horn, Yang

    2012-01-01

    Perovskite oxides have high catalytic activities for oxygen electrocatalysis competitive to platinum at elevated temperatures. However, little is known about the oxide surface chemistry that influences the activity near ambient oxygen partial pressures, which hampers the design of highly active catalysts for many clean-energy technologies such as solid oxide fuel cells. Using in situ synchrotron-based, ambient pressure X-ray photoelectron spectroscopy to study the surface chemistry changes, we show that the coverage of surface secondary phases on a (001)-oriented La 0.8Sr 0.2CoO 3-δ (LSC) film becomes smaller than that on an LSC powder pellet at elevated temperatures. In addition, strontium (Sr) in the perovskite structure enriches towards the film surface in contrast to the pellet having no detectable changes with increasing temperature. We propose that the ability to reduce surface secondary phases and develop Sr-enriched perovskite surfaces of the LSC film contributes to its enhanced activity for O 2 electrocatalysis relative to LSC powder-based electrodes. © 2012 The Royal Society of Chemistry.

  4. Correlation between sub-micron surface roughness of iron oxide encrustations and trace element concentrations

    International Nuclear Information System (INIS)

    Fischer, Cornelius; Karius, Volker; Luettge, Andreas

    2009-01-01

    Iron oxide encrustations are formed on black slate surfaces during oxidative weathering of iron sulfide and phosphate bearing, organic matter-rich slates. Synchronously, trace elements are released during ongoing weathering. Laser ablation ICP-MS analyses of a weathered and encrusted slate showed that major portions of the V, Cu, As, Mo, Pb, Th, and U reside in the encrustation. Recently a potential relationship between several micrometer to 500 nm surface topography roughness of such encrustations and its uranium concentration was shown. Based on laser scanning microscopy measurements, the present study shows that this interrelation must be expanded to small submicron-sized half-pores with diameters between 100 nm and 500 nm. We demonstrate that the relationship is not limited to topography variations of a single encrustation in the hand-specimen scale. Surface topography and geochemical analyses of iron oxide encrustations from several locations but from the same geochemical environment and with similar weathering history showed that the concentrations of U, P, Cu, and Zn correlate inversely with the surface roughness parameter F. This parameter represents the total surface area and is - in this case - a proxy for the root-mean square surface roughness Rq. This study substantiates the environmental importance that micrometer- to submicrometer topography variations of fluid-rock interfaces govern the trapping of trace elements.

  5. Correlation between sub-micron surface roughness of iron oxide encrustations and trace element concentrations

    Energy Technology Data Exchange (ETDEWEB)

    Fischer, Cornelius, E-mail: cornelius@rice.edu [Department of Earth Science, MS-126, Rice University, 6100 Main Street, Houston, TX 77005 (United States); Geowissenschaftliches Zentrum der Universitaet Goettingen, Abt. Sedimentologie and Umweltgeologie, Goldschmidtstr. 3, D-37077 Goettingen (Germany); Karius, Volker [Geowissenschaftliches Zentrum der Universitaet Goettingen, Abt. Sedimentologie and Umweltgeologie, Goldschmidtstr. 3, D-37077 Goettingen (Germany); Luettge, Andreas [Department of Earth Science, MS-126, Rice University, 6100 Main Street, Houston, TX 77005 (United States); Department of Chemistry, Rice University, 6100 Main Street, Houston, TX 77005 (United States)

    2009-08-01

    Iron oxide encrustations are formed on black slate surfaces during oxidative weathering of iron sulfide and phosphate bearing, organic matter-rich slates. Synchronously, trace elements are released during ongoing weathering. Laser ablation ICP-MS analyses of a weathered and encrusted slate showed that major portions of the V, Cu, As, Mo, Pb, Th, and U reside in the encrustation. Recently a potential relationship between several micrometer to 500 nm surface topography roughness of such encrustations and its uranium concentration was shown. Based on laser scanning microscopy measurements, the present study shows that this interrelation must be expanded to small submicron-sized half-pores with diameters between 100 nm and 500 nm. We demonstrate that the relationship is not limited to topography variations of a single encrustation in the hand-specimen scale. Surface topography and geochemical analyses of iron oxide encrustations from several locations but from the same geochemical environment and with similar weathering history showed that the concentrations of U, P, Cu, and Zn correlate inversely with the surface roughness parameter F. This parameter represents the total surface area and is - in this case - a proxy for the root-mean square surface roughness Rq. This study substantiates the environmental importance that micrometer- to submicrometer topography variations of fluid-rock interfaces govern the trapping of trace elements.

  6. Surface functionalization of carbon nanofibers by sol-gel coating of zinc oxide

    Energy Technology Data Exchange (ETDEWEB)

    Shao Dongfeng [Key Laboratory of Eco-textiles, Ministry of Education, Jiangnan University, Wuxi 214122 (China); Changzhou Textile Garment Institute, Changzhou 213164 (China); Wei Qufu [Key Laboratory of Eco-textiles, Ministry of Education, Jiangnan University, Wuxi 214122 (China)], E-mail: qfwei@jiangnan.edu.cn; Zhang Liwei; Cai Yibing; Jiang Shudong [Key Laboratory of Eco-textiles, Ministry of Education, Jiangnan University, Wuxi 214122 (China)

    2008-08-15

    In this paper the functional carbon nanofibers were prepared by the carbonization of ZnO coated PAN nanofibers to expand the potential applications of carbon nanofibers. Polyacrylonitrile (PAN) nanofibers were obtained by electrospinning. The electrospun PAN nanofibers were then used as substrates for depositing the functional layer of zinc oxide (ZnO) on the PAN nanofiber surfaces by sol-gel technique. The effects of coating, pre-oxidation and carbonization on the surface morphology and structures of the nanofibers were characterized by X-ray diffraction (XRD), Fourier transform infrared (FTIR) and Scanning electron microscopy (SEM), respectively. The results of SEM showed a significant increase of the size of ZnO nanograins on the surface of nanofibers after the treatments of coating, pre-oxidation and carbonization. The observations by SEM also revealed that ZnO nanoclusters were firmly and clearly distributed on the surface of the carbon nanofibers. FTIR examination also confirmed the deposition of ZnO on the surface of carbon nanofibers. The XRD analysis indicated that the crystal structure of ZnO nanograins on the surface of carbon nanofibers.

  7. Regularities of radiation defects build up on oxide materials surface; Zakonomernosti nakopleniya radiatsionnykh defektov na poverkhnosti oksidnykh materialov

    Energy Technology Data Exchange (ETDEWEB)

    Bitenbaev, M I; Polyakov, A I [Fiziko-Tekhnicheskij Inst., Almaty (Kazakhstan); Tuseev, T [Inst. Yadernoj Fiziki, Almaty (Kazakhstan)

    2005-07-01

    Analysis of experimental data by radiation defects study on different oxide elements (silicon, beryllium, aluminium, rare earth elements) irradiated by the photo-, gamma-, neutron-, alpha- radiation, protons and helium ions show, that gas adsorption process on the surface centers and radiation defects build up in metal oxide correlated between themselves. These processes were described by the equivalent kinetic equations for analysis of radiation defects build up in the different metal oxides. It was revealed in the result of the analysis: number of radiation defects are droningly increasing up to limit value with the treatment temperature growth. Constant of radicals death at ionizing radiation increases as well. Amount of surface defects in different oxides defining absorbing activity of these materials looks as: silicon oxide{yields}beryllium oxide{yields}aluminium oxide. So it was found, that most optimal material for absorbing system preparation is silicon oxide by it power intensity and berylium oxide by it adsorption efficiency.

  8. Surface Mn(II) oxidation actuated by a multicopper oxidase in a soil bacterium leads to the formation of manganese oxide minerals.

    Science.gov (United States)

    Zhang, Zhen; Zhang, Zhongming; Chen, Hong; Liu, Jin; Liu, Chang; Ni, Hong; Zhao, Changsong; Ali, Muhammad; Liu, Fan; Li, Lin

    2015-06-03

    In this manuscript, we report that a bacterial multicopper oxidase (MCO266) catalyzes Mn(II) oxidation on the cell surface, resulting in the surface deposition of Mn(III) and Mn(IV) oxides and the gradual formation of bulky oxide aggregates. These aggregates serve as nucleation centers for the formation of Mn oxide micronodules and Mn-rich sediments. A soil-borne Escherichia coli with high Mn(II)-oxidizing activity formed Mn(III)/Mn(IV) oxide deposit layers and aggregates under laboratory culture conditions. We engineered MCO266 onto the cell surfaces of both an activity-negative recipient and wild-type strains. The results confirmed that MCO266 governs Mn(II) oxidation and initiates the formation of deposits and aggregates. By contrast, a cell-free substrate, heat-killed strains, and intracellularly expressed or purified MCO266 failed to catalyze Mn(II) oxidation. However, purified MCO266 exhibited Mn(II)-oxidizing activity when combined with cell outer membrane component (COMC) fractions in vitro. We demonstrated that Mn(II) oxidation and aggregate formation occurred through an oxygen-dependent biotic transformation process that requires a certain minimum Mn(II) concentration. We propose an approximate electron transfer pathway in which MCO266 transfers only one electron to convert Mn(II) to Mn(III) and then cooperates with other COMC electron transporters to transfer the other electron required to oxidize Mn(III) to Mn(IV).

  9. Effect of reacting surface density on the overall graphite oxidation rate

    International Nuclear Information System (INIS)

    Oh, Chang; Kim, Eung; Lim, Jong; Schultz, Richard; Petti, David

    2009-01-01

    Graphite oxidation in an air-ingress accident is presently a very important issue for the reactor safety of the very high temperature gas cooled-reactor (VHTR), the concept of the next generation nuclear plant (NGNP) because of its potential problems such as mechanical degradation of the supporting graphite in the lower plenum of the VHTR might lead to core collapse if the countermeasure is taken carefully. The oxidation process of graphite has known to be affected by various factors, including temperature, pressure, oxygen concentration, types of graphite, graphite shape and size, flow distribution, etc. However, our recent study reveals that the internal pore characteristics play very important roles in the overall graphite oxidation rate. One of the main issues regarding graphite oxidation is the potential core collapse problem that may occur following the degradation of graphite mechanical strength. In analyzing this phenomenon, it is very important to understand the relationship between the degree of oxidization and strength degradation. In addition, the change of oxidation rate by graphite oxidation degree characterization by burn-off (ratio of the oxidized graphite density to the original density) should be quantified because graphite strength degradation is followed by graphite density decrease, which highly affects oxidation rates and patterns. Because the density change is proportional to the internal pore surface area, they should be quantified in advance. In order to understand the above issues, the following experiments were performed: (1) Experiment on the fracture of the oxidized graphite and validation of the previous correlations, (2) Experiment on the change of oxidation rate using graphite density and data collection, (3) Measure the BET surface area of the graphite. The experiments were performed using H451 (Great Lakes Carbon Corporation) and IG-110 (Toyo Tanso Co., Ltd) graphite. The reason for the use of those graphite materials is because

  10. Secondary electron emission influenced by oxidation on the aluminum surface: the roles of the chemisorbed oxygen and the oxide layer

    Science.gov (United States)

    Li, Jiangtao; Hoekstra, Bart; Wang, Zhen-Bin; Qiu, Jie; Pu, Yi-Kang

    2018-04-01

    A relationship between the apparent secondary electron yield ({γ }{{se}}) and the oxygen coverage/oxide layer thickness on an aluminum cathode is obtained in an experiment under a controlled environment. The apparent secondary electron yield ({γ }{{se}}) is deduced from the breakdown voltage between two parallel plate electrodes in a 360 mTorr argon environment using a simple Townsend breakdown model with the assumption that the variation of the apparent secondary electron yield is dominated by the variation of the argon ion induced processes. The oxygen coverage/oxide layer thickness on the aluminum cathode is measured by a semi in situ x-ray photoemission spectroscopy equipment which is directly attached to the discharge chamber. It is found that three phases exist: (1) in the monomonolayer regime, as the oxygen coverage increases from 0 to 0.3, {γ }{{se}} decreases by nearly 40 % , (2) as the oxygen coverage increases from 0.3 to 1, {γ }{{se}} keeps nearly constant, (3) as the oxide layer thickness increases from about 0.3 nm to about 1.1 nm, {γ }{{se}} increases by 150 % . We propose that, in the submonolayer regime, the chemisorbed oxygen on the aluminum surface causes the decrease of {γ }{{se}} by creating a local potential barrier, which reduces the Auger neutralization rate and the energy gained by the Auger electrons. In the multilayer regime, as the oxide layer grows in thickness, there are three proposed mechanisms which cause the increase of {γ }{{se}}: (1) the work function decreases; (2) resonance neutralization and Auger de-excitation may exist. This is served as another channel for secondary electron production; (3) the kinetic energy of Auger electrons is increased on average, leading to a higher probability for electrons to overcome the surface potential barrier.

  11. The crystal chemistry and structural analysis of uranium oxide hydrates. Final report, May 15, 1995--December 31, 1997

    International Nuclear Information System (INIS)

    Miller, M.L.; Ewing, R.C.

    1998-01-01

    The purpose of this research program was to develop a thorough understanding of the crystal-chemical and crystal-structural systematics of uranyl oxide hydrates which are the initial corrosion products of the UO 2 in spent nuclear fuel and the principal phases in which actinides occur in the near surface environment. The scope of this program has been expanded to include all inorganic phases in which U 6+ plays a significant structural role; currently 183 phases with known crystal structures

  12. Experimental and Theoretical Studies on Corrosion Inhibition of Niobium and Tantalum Surfaces by Carboxylated Graphene Oxide

    Directory of Open Access Journals (Sweden)

    Valbonë Mehmeti

    2018-05-01

    Full Text Available The corrosion of two different metals, niobium and tantalum, in aqueous sulfuric acid solution has been studied in the presence and absence of carboxylated graphene oxide. Potentiodynamic measurements indicate that this nanomaterial inhibits corrosion due to its adsorption on the metal surfaces. The adsorbed layer of carboxylated graphene hinders two electrochemical reactions: the oxidation of the metal and the transport of metal ions from the metal to the solution but also hydrogen evolution reaction by acting as a protective barrier. The adsorption behavior at the molecular level of the carboxylated graphene oxide with respect to Nb, NbO, Ta, and TaO (111 surfaces is also investigated using Molecular Dynamic and Monte Carlo calculations.

  13. Nanoscopic morphological changes in yeast cell surfaces caused by oxidative stress: an atomic force microscopic study.

    Science.gov (United States)

    Canetta, Elisabetta; Walker, Graeme M; Adya, Ashok K

    2009-06-01

    Nanoscopic changes in the cell surface morphology of the yeasts Saccharomyces cerevisiae (strain NCYC 1681) and Schizosaccharomyces pombe (strain DVPB 1354), due to their exposure to varying concentrations of hydrogen peroxide (oxidative stress), were investigated using an atomic force microscope (AFM). Increasing hydrogen peroxide concentration led to a decrease in cell viabilities and mean cell volumes, and an increase in the surface roughness of the yeasts. In addition, AFM studies revealed that oxidative stress caused cell compression in both S. cerevisiae and Schiz. pombe cells and an increase in the number of aged yeasts. These results confirmed the importance and usefulness of AFM in investigating the morphology of stressed microbial cells at the nanoscale. The results also provided novel information on the relative oxidative stress tolerance of S. cerevisiae and Schiz. pombe.

  14. Safety analysis report: packages. Pu oxide and Am oxide shipping cask (Packaging of fissile and other radioactive materials). Final report

    International Nuclear Information System (INIS)

    Chalfant, G.G.

    1980-05-01

    The PuO 2 cask or SP 5320-2 and 3 cask is designed for surface shipment of americium or plutonium. The cask design was physically tested to demonstrate that it met the criteria specified in US ERDA Manual Chapter 0529, and Chapter I, Interstate Commerce Commission. The package has been assessed for transport of up to 357 grams of plutonium (403 grams PuO 2 powder) and up to 176 grams of americium (200 grams AmO 2 powder), having a maximum decay heat of 203 watts. Criticality evaluation alone would allow the shipment as Fissile Class II but the radiation level of the cask, measured at the time of shipment, may exceed 50 mrem/h at the surface and require shipment as Fissile Class III. Sample calculations address only the more restrictive of the two materials, which in most cases is 238 PuO 2

  15. Recent progress in the development and understanding of silicon surface passivation by aluminum oxide for photovoltaics

    NARCIS (Netherlands)

    Dingemans, G.; Kessels, W.M.M.

    2010-01-01

    In the recent years, considerable progress has been made in the understanding of the unique silicon surface passivation properties of aluminum oxide (Al2O3) films including its underlying mechanisms. Containing a high fixed negative charge density located close to the Si interface, Al2O3 provides a

  16. Promotion effect of monovalent metals (K and Cs) on the GaAs (110) surface oxidation

    International Nuclear Information System (INIS)

    Valeri, S.; Sberveglieri, P.; Angeli, E.

    1987-01-01

    The effect of thin (∼ 1 monolayer) overlayers of low electronegativity metals (Cs and K) on the RT oxidation behaviour of GaAs(110) cleavage surface is studied. This study was with Auger and Photoemission spectroscopies. Attention has been focused on the core-valence-valence and Auger lineshapes on the Ga and As 3d peaks. Presence of the alkali metal enhances the GaAs (110) oxidation rate several orders of magnitude above the clean surface value has been found. The range 0-100 Langmuir is investigated in detail. The oxidation process of the GaAs(110) surface in the presence of both K and Cs overlayer follows a multi-step kinetic and reaches a saturation at exposure lower than 100 Langmuir. Both Ga and As atoms are involved in the oxygen bonding. The metal enhanced semiconductor oxidation is generally reported to be a process involving predominantly the semiconductor surface atoms. However in the Cs - and K - GaAs case, an involvement of the alkali metal atoms too, reflected in the shape modification of their Auger line has been found. The promotion effect of K and Cs is discussed in terms of their low electronegativity and in comparison with the results recently reported in the literature for the other low electronegativity metals

  17. Laser direct writing of oxide structures on hydrogen-passivated silicon surfaces

    DEFF Research Database (Denmark)

    Müllenborn, Matthias; Birkelund, Karen; Grey, Francois

    1996-01-01

    on amorphous and crystalline silicon surfaces in order to determine the depassivation mechanism. The minimum linewidth achieved is about 450 nm using writing speeds of up to 100 mm/s. The process is fully compatible with local oxidation of silicon by scanning probe lithography. Wafer-scale patterns can...

  18. Probing the Active Surface Sites for CO Reduction on Oxide-Derived Copper Electrocatalysts

    DEFF Research Database (Denmark)

    Verdaguer Casadevall, Arnau; Li, Christina W.; Johansson, Tobias Peter

    2015-01-01

    CO electroreduction activity on oxide-derived Cu (OD-Cu) was found to correlate with metastable surface features that bind CO strongly. OD-Cu electrodes prepared by H-2 reduction of Cu2O precursors reduce CO to acetate and ethanol with nearly 50% Faradaic efficiency at moderate overpotential. Tem...

  19. Surface modification and functionalization of metal and metal oxide nanoparticles by organic ligands

    NARCIS (Netherlands)

    Neouze, M.A.; Schubert, U.S.

    2008-01-01

    Metal or metal oxide nanoparticles possess unique features compared to equivalent larger-scale materials. For applications, it is often necessary to stabilize or functionalize such nanoparticles. Thus, modification of the surface of nanoparticles is an important chemical challenge. In this survey,

  20. Formation, stability, and solubility of metal oxide nanoparticles: surface entropy, and free energy of ferrihydrite

    NARCIS (Netherlands)

    Hiemstra, T.

    2015-01-01

    Ferrihydrite (Fh) is an excellent model for understanding nanoparticle behavior in general. Moreover, Fh is one of the most important Fe (hydr) oxides in nature. Fh particles can be extremely small leading to a very high reactive surface area that changes its chemical potential, strongly affecting

  1. Small Punch Tests at Oxide Scales Surface of Structural Steel and Low Silicon Steel

    Czech Academy of Sciences Publication Activity Database

    Hrabovský, J.; Dobeš, Ferdinand; Horský, J.

    2014-01-01

    Roč. 82, 3-4 (2014), s. 297-310 ISSN 0030-770X Institutional support: RVO:68081723 Keywords : Small punch * Oxide scales * X-ray diffraction * Mechanical properties Subject RIV: JK - Corrosion ; Surface Treatment of Materials Impact factor: 1.140, year: 2014

  2. Iron oxidation kinetics and phosphate immobilization along the flow-path from groundwater into surface water

    NARCIS (Netherlands)

    Van Der Grift, B.; Rozemeijer, J. C.; Griffioen, J.; Van Der Velde, Y.

    2014-01-01

    The retention of phosphorus in surface waters through co-precipitation of phosphate with Fe-oxyhydroxides during exfiltration of anaerobic Fe(II) rich groundwater is not well understood. We developed an experimental field set-up to study Fe(II) oxidation and P immobilization along the flow-path from

  3. Iron oxidation kinetics and phosphate immobilization along the flow-path from groundwater into surface water.

    NARCIS (Netherlands)

    Grift, van der B.; Rozemeijer, J.C.; Griffioen, J.; Velde, van der Y.

    2014-01-01

    The retention of phosphorus in surface waters though co-precipitation of phosphate with Fe-oxyhydroxides during exfiltration of anaerobic Fe(II) rich groundwater is not well understood. We developed an experimental field set-up to study Fe(II) oxidation and 5 P immobilization along the flow-path

  4. Iron oxidation kinetics and phosphate immobilization along the flow-path from groundwater into surface water

    NARCIS (Netherlands)

    van der Grift, B.; Rozemeijer, J. C.; Griffioen, J.; van der Velde, Y.

    2014-01-01

    The retention of phosphorus in surface waters though co-precipitation of phosphate with Fe-oxyhydroxides during exfiltration of anaerobic Fe(II) rich groundwater is not well understood. We developed an experimental field set-up to study Fe(II) oxidation and P immobilization along the flow-path from

  5. Turbostratic boron nitride coated on high-surface area metal oxide templates

    DEFF Research Database (Denmark)

    Klitgaard, Søren Kegnæs; Egeblad, Kresten; Brorson, M.

    2007-01-01

    Boron nitride coatings on high-surface area MgAl2O4 and Al2O3 have been synthesized and characterized by transmission electron microscopy and by X-ray powder diffraction. The metal oxide templates were coated with boron nitride using a simple nitridation in a flow of ammonia starting from ammonium...

  6. Trinitromethyl Heterocyclic Oxidizers as a Solid Propellant Ingredient Final Report CRADA No TC02146.0

    Energy Technology Data Exchange (ETDEWEB)

    Pagoria, P. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Racoveanu, A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2017-08-15

    This was a collaborative effort between Lawrence Livermore National Security, LLC as manager and operator of Lawrence Livermore National Laboratory (LLNL) and Physical Sciences, Inc. (PSI), to develop a synthesis of two novel energetic heterocyclic oxidizers as possible replacements for ammonium perchlorate (AP) in rocket propellant formulations. This CRADA resulted from the award of the Phase I Small Business Technology Transfer (STTR) from DOD. The CRADA consisted of two phases. The goal for Phase 1 was to produce a new oxidizer called TNMDNP. Phase 2 is optional (based on the success of Phase 1) and the goal of Phase 2 (optional) was to produce a new oxidizer called TNMDNT. Phase 2 tasks would be performed based on the successful results of Phase 1.

  7. Enhancement of nitric oxide release and hemocompatibility by surface chirality of D-tartaric acid grafting

    Science.gov (United States)

    Han, Honghong; Wang, Ke; Fan, Yonghong; Pan, Xiaxin; Huang, Nan; Weng, Yajun

    2017-12-01

    Nitric Oxide (NO) generation from endogenous NO-donors catalyzed by diselenide modified biomaterials has been reported. Here we reported surface chirality by L-tartaric acid and D-tartaric acid grafting on the outermost showed a significant impact on diselenide modified biomaterials, which modulated protein adsorption, NO release and anti-platelet adhesion properties. D-tartaric acid grafted surface showed more blood protein adsorption than that of L-surfaces by QCM analysis, however, ELISA analysis disclosed less fibrinogen denatured on the D surfaces. Due to the surface ratio of selenium decreasing, NO release catalyzed by L-tartaric acid grafting on the outermost significantly decreased in comparison to that of only selenocystamine immobilized surfaces. While NO release catalyzed by D-tartaric acid grafting on the outermost didn't decrease and was similar with that of selenocystamine immobilized surfaces. Surface chirality combined with NO release had synergetic effects on platelet adhesion, and it showed the lowest number of platelets adhered on the D-tartaric acid grafted surfaces. Thus surface chirality from D-tartaric acid grafting enhanced hemocompatibility of the surface in this study. Our work provides new insights into engineering novel blood contacting biomaterials by taking into account surface chirality.

  8. Influence of oxidation treatment on ballistic electron surface-emitting display of porous silicon

    International Nuclear Information System (INIS)

    Du, Wentao; Zhang, Xiaoning; Zhang, Yujuan; Wang, Wenjiang; Duan, Xiaotao

    2012-01-01

    Two groups of porous silicon (PS) samples are treated by rapid thermal oxidation (RTO) and electrochemical oxidation (ECO), respectively. Scanning electron microscopy images show that PS samples are segmented into two layers. Oxidized film layer is formed on the top surface of PS samples treated by RTO while at the bottom of PS samples treated by ECO. Both ECO and RTO treatment can make emission current density, diode current density, and emission efficiency of PS increase with the bias voltage increasing. The emission current density and the field emission enhancement factor β of PS sample treated by RTO are larger than that treated by ECO. The Fowler–Nordheim curves of RTO and ECO samples are linear which indicates that high electric field exists on the oxidized layer and field emission occurs whether PS is treated by RTO or ECO.

  9. Water surface coverage effects on reactivity of plasma oxidized Ti films

    International Nuclear Information System (INIS)

    Pranevicius, L.; Pranevicius, L.L.; Vilkinis, P.; Baltaragis, S.; Gedvilas, K.

    2014-01-01

    Highlights: • The reactivity of Ti films immersed in water vapor plasma depends on the surface water coverage. • The adsorbed water monolayers are disintegrated into atomic constituents on the hydrophilic TiO 2 under plasma radiation. • The TiO 2 surface covered by water multilayer loses its ability to split adsorbed water molecules under plasma radiation. - Abstract: The behavior of the adsorbed water on the surface of thin sputter deposited Ti films maintained at room temperature was investigated in dependence on the thickness of the resulting adsorbed water layer, controllably injecting water vapor into plasma. The surface morphology and microstructure were used to characterize the surfaces of plasma treated titanium films. Presented experimental results showed that titanium films immersed in water vapor plasma at pressure of 10–100 Pa promoted the photocatalytic activity of overall water splitting. The surfaces of plasma oxidized titanium covered by an adsorbed hydroxyl-rich island structure water layer and activated by plasma radiation became highly chemically reactive. As water vapor pressure increased up to 300–500 Pa, the formed water multilayer diminished the water oxidation and, consequently, water splitting efficiency decreased. Analysis of the experimental results gave important insights into the role an adsorbed water layer on surface of titanium exposed to water vapor plasma on its chemical activity and plasma activated electrochemical processes, and elucidated the surface reactions that could lead to the split of water molecules

  10. Chemical state analysis of oxidation products on steel surface by conversion electron Moessbauer spectrometry

    International Nuclear Information System (INIS)

    Ujihira, Yusuke; Nomura, Kiyoshi

    1978-01-01

    The polished NT-70H steel (Fe: 95.97%, C: 0.56%, diameter: 5 cm, thickness: 0.5 cm) was immersed in deionized water or in solutions containing (0.25 -- 0.5) M of chloride, sulfate and nitrate ions. The chemical states of oxidation products of iron on the surface were identified through the analysis of conversion electron Moessbauer spectra (CEMS). CEMS of the steel surface, which had been dipped in deionized water, revealed that γ-FeOOH was formed on the surface. The thickness of γ-FeOOH layer increased with the increase of the duration of dipping. Dissolved oxygen in the solution played an essential role in the oxidation of iron to γ-FeOOH. Oxidation product of iron dipped in the 0.5 M sodium chloride solution was identified as γ-FeOOH. Amorphous paramagnetic iron (III) compound tended to form in the presence of hydrogen peroxide or ammonium ions in the solutions. The increase of alkalinity of the solution up to pH 12 suppressed the oxidation rate and assisted the formation of green rust, which was confirmed by the appearance of the quadrupole splitting peaks of the green rust. In the 0.25 M sodium sulfate solution, oxidation of the steel surface proceeded slowly and the quadrupole splitting peaks of Fe(OH) 2 were seen in the CEMS. The peak intensity of Fe(OH) 2 gradually decreased and that of γ-FeOOH increased by the extension of immersion of steel in the solution. Magnetite (Fe 3 O 4 ) layer was developed beneath the γ-FeOOH layer, when steel was dipped in 0.5 M sodium nitrate solution. However, the peaks of Fe 3 O 4 were not seen on CEMS of steel surface immersed in 0.5 M ammonium nitrate solution. Thus, applying the feasibility of CEMS for the characterization of oxidated compounds of iron on the steel surface formed by the immersion in solutions, the oxidation mechanism of the steel surface was discussed based upon the results of chemical state analyses. (author)

  11. Prediction Surface Morphology of Nanostructure Fabricated by Nano-Oxidation Technology.

    Science.gov (United States)

    Huang, Jen-Ching; Chang, Ho; Kuo, Chin-Guo; Li, Jeen-Fong; You, Yong-Chin

    2015-12-04

    Atomic force microscopy (AFM) was used for visualization of a nano-oxidation technique performed on diamond-like carbon (DLC) thin film. Experiments of the nano-oxidation technique of the DLC thin film include those on nano-oxidation points and nano-oxidation lines. The feature sizes of the DLC thin film, including surface morphology, depth, and width, were explored after application of a nano-oxidation technique to the DLC thin film under different process parameters. A databank for process parameters and feature sizes of thin films was then established, and multiple regression analysis (MRA) and a back-propagation neural network (BPN) were used to carry out the algorithm. The algorithmic results are compared with the feature sizes acquired from experiments, thus obtaining a prediction model of the nano-oxidation technique of the DLC thin film. The comparative results show that the prediction accuracy of BPN is superior to that of MRA. When the BPN algorithm is used to predict nano-point machining, the mean absolute percentage errors (MAPE) of depth, left side, and right side are 8.02%, 9.68%, and 7.34%, respectively. When nano-line machining is being predicted, the MAPEs of depth, left side, and right side are 4.96%, 8.09%, and 6.77%, respectively. The obtained data can also be used to predict cross-sectional morphology in the DLC thin film treated with a nano-oxidation process.

  12. Surface patterned dielectrics by direct writing of anodic oxides using scanning droplet cell microscopy

    International Nuclear Information System (INIS)

    Siket, Christian M.; Mardare, Andrei Ionut; Kaltenbrunner, Martin; Bauer, Siegfried; Hassel, Achim Walter

    2013-01-01

    Highlights: • Scanning droplet cell microscopy was applied for local gate oxide writing. • Sharp lines are obtained at the highest writing speed of 1 mm min −1 . • 13.4 kC cm −3 was found as charge per volume for aluminium oxide. • High field constant of 24 nm V −1 and dielectric constant of 12 were determined for Al 2 O 3 by CV and EIS. -- Abstract: Scanning droplet cell microscopy was used for patterning of anodic oxide lines on the surface of Al thin films by direct writing. The structural modifications of the written oxide lines as a function of the writing speed were studied by analyzing the relative error of the line widths. Sharper lines were obtained for writing speeds faster than 1 mm min −1 . An increase in sharpness was observed for higher writing speeds. A theoretical model based on the Faraday law is proposed to explain the constant anodisation current measured during the writing process and yielded a charge per volume of 13.4 kC cm −3 for Al 2 O 3 . From calculated oxide film thicknesses the high field constant was found to be 24 nm V −1 . Electrochemical impedance spectroscopy revealed an increase of the electrical permittivity up to ε = 12 with the decrease of the writing speed of the oxide line. Writing of anodic oxide lines was proven to be an important step in preparing capacitors and gate dielectrics in plastic electronics

  13. 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.

  14. 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.

  15. Oxidation and metal-insertion in molybdenite surfaces: evaluation of charge-transfer mechanisms and dynamics

    Directory of Open Access Journals (Sweden)

    Shutthanandan V

    2008-06-01

    Full Text Available Abstract Molybdenum disulfide (MoS2, a layered transition-metal dichalcogenide, has been of special importance to the research community of geochemistry, materials and environmental chemistry, and geotechnical engineering. Understanding the oxidation behavior and charge-transfer mechanisms in MoS2 is important to gain better insight into the degradation of this mineral in the environment. In addition, understanding the insertion of metals into molybdenite and evaluation of charge-transfer mechanism and dynamics is important to utilize these minerals in technological applications. Furthermore, a detailed investigation of thermal oxidation behavior and metal-insertion will provide a basis to further explore and model the mechanism of adsorption of metal ions onto geomedia. The present work was performed to understand thermal oxidation and metal-insertion processes of molybdenite surfaces. The analysis was performed using atomic force microscopy (AFM, scanning electron microscopy (SEM, transmission electron microscopy (TEM, Rutherford backscattering spectrometry (RBS, and nuclear reaction analysis (NRA. Structural studies using SEM and TEM indicate the local-disordering of the structure as a result of charge-transfer process between the inserted lithium and the molybdenite layer. Selected area electron diffraction measurements indicate the large variations in the diffusivity of lithium confirming that the charge-transfer is different along and perpendicular to the layers in molybdenite. Thermal heating of molybenite surface in air at 400°C induces surface oxidation, which is slow during the first hour of heating and then increases significantly. The SEM results indicate that the crystals formed on the molybdenite surface as a result of thermal oxidation exhibit regular thin-elongated shape. The average size and density of the crystals on the surface is dependent on the time of annealing; smaller size and high density during the first one-hour and

  16. Oxidation and metal-insertion in molybdenite surfaces: evaluation of charge-transfer mechanisms and dynamics.

    Science.gov (United States)

    Ramana, C V; Becker, U; Shutthanandan, V; Julien, C M

    2008-06-05

    Molybdenum disulfide (MoS2), a layered transition-metal dichalcogenide, has been of special importance to the research community of geochemistry, materials and environmental chemistry, and geotechnical engineering. Understanding the oxidation behavior and charge-transfer mechanisms in MoS2 is important to gain better insight into the degradation of this mineral in the environment. In addition, understanding the insertion of metals into molybdenite and evaluation of charge-transfer mechanism and dynamics is important to utilize these minerals in technological applications. Furthermore, a detailed investigation of thermal oxidation behavior and metal-insertion will provide a basis to further explore and model the mechanism of adsorption of metal ions onto geomedia.The present work was performed to understand thermal oxidation and metal-insertion processes of molybdenite surfaces. The analysis was performed using atomic force microscopy (AFM), scanning electron microscopy (SEM), transmission electron microscopy (TEM), Rutherford backscattering spectrometry (RBS), and nuclear reaction analysis (NRA).Structural studies using SEM and TEM indicate the local-disordering of the structure as a result of charge-transfer process between the inserted lithium and the molybdenite layer. Selected area electron diffraction measurements indicate the large variations in the diffusivity of lithium confirming that the charge-transfer is different along and perpendicular to the layers in molybdenite. Thermal heating of molybenite surface in air at 400 degrees C induces surface oxidation, which is slow during the first hour of heating and then increases significantly. The SEM results indicate that the crystals formed on the molybdenite surface as a result of thermal oxidation exhibit regular thin-elongated shape. The average size and density of the crystals on the surface is dependent on the time of annealing; smaller size and high density during the first one-hour and significant

  17. Safety Analysis Report: Packages, Pu oxide and Am oxide shipping cask: Packaging of fissile and other radioactive materials: Final report

    International Nuclear Information System (INIS)

    Chalfant, G.G.

    1984-12-01

    The PuO 2 cask or 5320-3 cask is designed for shipment of americium or plutonium by surface transportation modes. The cask design was physically tested to demonstrate that it met the criteria specified in US ERDA Manual Chapter 0529, dated 12/21/76, which invokes Title 10 Code of Federal Regulations, Part 71 (10 CFR 71) ''Packaging of Radioactive Materials for Transport,'' and Title 49 CFR Parts 171.179 ''Hazardous Materials Regulations.'' (US DOE Order 4580.1A, Chapter III, superseded manual chapter 0529 effective May 1981, but it retained the same 10 CFR 71 and 49 CFR 171-179 references

  18. Soluble and immobilized graphene oxide activates complement system differently dependent on surface oxidation state

    DEFF Research Database (Denmark)

    Wibroe, Peter Popp; Petersen, Søren Vermehren; Bovet, Nicolas Emile

    2016-01-01

    on two related elements of innate immunity: the complement system and interleukin-6 (IL-6) release in human blood. In solution, there was a decrease in GO-mediated complement activation with decreasing surface oxygen content (and altered oxygen functionality), whereas with immobilized GO complement...... response were reversed and increased with decreasing oxygen content. GO solutions, at concentrations below complement activating threshold, did not induce IL-6 release from human blood leukocytes, and further dampened lipopolysaccharide-induced IL-6 release in the whole blood. The latter effect became more...... profound with GO's having higher oxygen content. This protective role of GO solutions, however, disappeared at higher concentrations above complement-activating threshold. We discuss these results in relation to GO surface structure and properties, and implications for local administration and development...

  19. Oxide nanostructures on a Nb surface and related systems: experiments and ab initio calculations

    International Nuclear Information System (INIS)

    Kuznetsov, Mikhail V; Razinkin, A S; Ivanovskii, Alexander L

    2011-01-01

    This review discusses the state of the art in two related research areas: the surfaces of niobium and of its related group IV-VI transition metals, and surface (primarily oxide) nanostructures that form on niobium (and group IV-VI d-metals) due to gas adsorption or impurity diffusion from the bulk. Experimental (X-ray photoelectron spectroscopy, photoelectron diffraction, scanning tunneling microscopy) and theoretical (ab initio simulation) results on d-metal surfaces are summarized and reviewed. (reviews of topical problems)

  20. Photopatterning of self assembled monolayers on oxide surfaces for the selective attachment of biomolecules.

    Science.gov (United States)

    Hazarika, Pompi; Behrendt, Jonathan M; Petersson, Linn; Wingren, Christer; Turner, Michael L

    2014-03-15

    The immobilization of functional biomolecules to surfaces is a critical process for the development of biosensors for disease diagnostics. In this work we report the patterned attachment of single chain fragment variable (scFv) antibodies to the surface of metal oxides by the photodeprotection of self-assembled monolayers, using near-UV light. The photodeprotection step alters the functionality at the surface; revealing amino groups that are utilized to bind biomolecules in the exposed regions of the substrate only. The patterned antibodies are used for the detection of specific disease biomarker proteins in buffer and in complex samples such as human serum. © 2013 Elsevier B.V. All rights reserved.

  1. Genotoxicity of copper oxide nanoparticles with different surface chemistry on rat bone marrow mesenchymal stem cells

    DEFF Research Database (Denmark)

    Zhang, Wenjing; Jiang, Pengfei; Chen, Wei

    2016-01-01

    The surface chemistry of nanoparticles (NPs) is one of the critical factors determining their cellular responses. In this study, the cytotoxicity and genotoxicity of copper oxide (CuO) NPs with a similar size but different surface chemistry to rat bone marrow mesenchymal stem cells (MSCs) were......V and showed a similar tendency to form agglomerates with a size of ∼200 nm in cell culture environment. The cytotoxicity of CuO NPs to MSCs at various concentrations and incubation periods were firstly evaluated. The CuO NPs showed dose-dependent and time-dependent toxicity to MSCs, and their surface...

  2. Blocked-micropores, surface functionalized, bio-compatible and silica-coated iron oxide nanocomposites as advanced MRI contrast agent

    International Nuclear Information System (INIS)

    Darbandi, Masih; Laurent, Sophie; Busch, Martin; Li Zian; Yuan Ying; Krüger, Michael; Farle, Michael; Winterer, Markus; Vander Elst, Luce; Muller, Robert N.; Wende, Heiko

    2013-01-01

    Biocompatible magnetic nanoparticles have been found promising in several biomedical applications for tagging, imaging, sensing and separation in recent years. In this article, a systematic study of the design and development of surface-modification schemes for silica-coated iron oxide nanoparticles (IONP) via a one-pot, in situ method at room temperature is presented. Silica-coated IONP were prepared in a water-in-oil microemulsion, and subsequently the surface was modified via addition of organosilane reagents to the microemulsion system. The structure and the morphology of the as synthesized nanoparticles have been investigated by means of transmission electron microscopy (TEM) and measurement of N 2 adsorption–desorption. Electron diffraction and high-resolution transmission electron microscopic (TEM) images of the nanoparticles showed the highly crystalline nature of the IONP structures. Nitrogen adsorption indicates microporous and blocked-microporous structures for the silica-coated and amine functionalized silica-coated IONP, respectively which could prove less cytotoxicity of the functionalized final product. Besides, the colloidal stability of the final product and the presence of the modified functional groups on top of surface layer have been proven by zeta-potential measurements. Owing to the benefit from the inner IONP core and the hydrophilic silica shell, the as-synthesized nanocomposites were exploited as an MRI contrast enhancement agent. Relaxometric results prove that the surface functionalized IONP have also signal enhancement properties. These surface functionalized nanocomposites are not only potential candidates for highly efficient contrast agents for MRI, but could also be used as ultrasensitive biological-magnetic labels, because they are in nanoscale size, having magnetic properties, blocked-microporous and are well dispersible in biological environment.

  3. Adsorption of cadmium by activated carbon cloth: influence of surface oxidation and solution pH.

    Science.gov (United States)

    Rangel-Mendez, J R; Streat, M

    2002-03-01

    The surface of activated carbon cloth (ACC), based on polyacrylonitrile fibre as a precursor, was oxidised using nitric acid, ozone and electrochemical oxidation to enhance cadmium ion exchange capacity. Modified adsorbents were physically and chemically characterised by pH titration, direct titration, X-ray photoelectron spectroscopy, elemental analysis, surface area and porosimetry, and scanning electron microscopy. BET surface area decreased after oxidation, however, the total ion exchange capacity increased by a factor of approximately 3.5 compared to the commercial as-received ACC. A very significant increase in cadmium uptake, by a factor of 13, was observed for the electrochemically oxidised ACC. Equilibrium sorption isotherms were determined at pH 4, 5 and 6 and these showed that cadmium uptake increased with increasing pH. There was clear evidence of physical damage to ozone-oxidised fibre, however, acid and electrochemically oxidised samples were completely stable.

  4. Investigation of surface oxide morphology in SG feedwater pipes and study of its influence on flow accelerated corrosion rate

    International Nuclear Information System (INIS)

    Qiu, G.; Alos-Ramos, O.; Monchecourt, D.; Mansour, C.; Delaunay, S.; Trevin, S.

    2015-01-01

    Flow accelerated corrosion (FAC) affects carbon steel components in the secondary circuits of PWR plants. The mandatory use of the prediction tool BRT-CICERO in all its PWR plants enables EDF to perform efficient inspections programs and minimize the number of leaks in the secondary circuits. Due to the operating conditions, SG feedwater flow regulation (ARE) circuits can be affected by FAC phenomenon. Thickness loss has been reported by several plants during the last 10 years, although significant damage by FAC remains very rare. This paper describes the surface features observed on an ARE straight tube that has orange peel pattern with thickness loss on the one half of its inner surface and a thick fouling layer without much thickness loss on the other. An analysis of the oxide porosity and structure by SEM investigation has been carried out. The origin of fouling layer and its behavior in the ARE circuits environment (oxide solubility, flow stability/turbulence) have been discussed. Finally by comparing with the classic FAC models, an attempt of correlation between the presence of the fouling layer and the lower corrosion rate is proposed. (authors)

  5. Preparation and Biocompatible Surface Modification of Redox Altered Cerium Oxide Nanoparticle Promising for Nanobiology and Medicine

    KAUST Repository

    Nanda, Himansu Sekhar

    2016-11-03

    The biocompatible surface modification of metal oxide nanoparticles via surface functionalization technique has been used as an important tool in nanotechnology and medicine. In this report, we have prepared aqueous dispersible, trivalent metal ion (samarium)-doped cerium oxide nanoparticles (SmCNPs) as model redox altered CNPs of biological relevance. SmCNP surface modified with hydrophilic biocompatible (6-{2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxy}-hexyl) triethoxysilane (MEEETES) were prepared using ammonia-induced ethylene glycol-assisted precipitation method and were characterized using a variety of complementary characterization techniques. The chemical interaction of functional moieties with the surface of doped nanoparticle was studied using powerful 13C cross polarization magic angle sample spinning nuclear magnetic resonance spectroscopy. The results demonstrated the production of the extremely small size MEEETES surface modified doped nanoparticles with significant reduction in aggregation compared to their unmodified state. Moreover, the functional moieties had strong chemical interaction with the surface of the doped nanoparticles. The biocompatible surface modification using MEEETES should also be extended to several other transition metal ion doped and co-doped CNPs for the production of aqueous dispersible redox altered CNPs that are promising for nanobiology and medicine.

  6. Preparation and Biocompatible Surface Modification of Redox Altered Cerium Oxide Nanoparticle Promising for Nanobiology and Medicine

    KAUST Repository

    Nanda, Himansu Sekhar

    2016-01-01

    The biocompatible surface modification of metal oxide nanoparticles via surface functionalization technique has been used as an important tool in nanotechnology and medicine. In this report, we have prepared aqueous dispersible, trivalent metal ion (samarium)-doped cerium oxide nanoparticles (SmCNPs) as model redox altered CNPs of biological relevance. SmCNP surface modified with hydrophilic biocompatible (6-{2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxy}-hexyl) triethoxysilane (MEEETES) were prepared using ammonia-induced ethylene glycol-assisted precipitation method and were characterized using a variety of complementary characterization techniques. The chemical interaction of functional moieties with the surface of doped nanoparticle was studied using powerful 13C cross polarization magic angle sample spinning nuclear magnetic resonance spectroscopy. The results demonstrated the production of the extremely small size MEEETES surface modified doped nanoparticles with significant reduction in aggregation compared to their unmodified state. Moreover, the functional moieties had strong chemical interaction with the surface of the doped nanoparticles. The biocompatible surface modification using MEEETES should also be extended to several other transition metal ion doped and co-doped CNPs for the production of aqueous dispersible redox altered CNPs that are promising for nanobiology and medicine.

  7. Preparation and Biocompatible Surface Modification of Redox Altered Cerium Oxide Nanoparticle Promising for Nanobiology and Medicine

    Directory of Open Access Journals (Sweden)

    Himansu Sekhar Nanda

    2016-11-01

    Full Text Available The biocompatible surface modification of metal oxide nanoparticles via surface functionalization technique has been used as an important tool in nanotechnology and medicine. In this report, we have prepared aqueous dispersible, trivalent metal ion (samarium-doped cerium oxide nanoparticles (SmCNPs as model redox altered CNPs of biological relevance. SmCNP surface modified with hydrophilic biocompatible (6-{2-[2-(2-methoxy-ethoxy-ethoxy]-ethoxy}-hexyl triethoxysilane (MEEETES were prepared using ammonia-induced ethylene glycol-assisted precipitation method and were characterized using a variety of complementary characterization techniques. The chemical interaction of functional moieties with the surface of doped nanoparticle was studied using powerful 13C cross polarization magic angle sample spinning nuclear magnetic resonance spectroscopy. The results demonstrated the production of the extremely small size MEEETES surface modified doped nanoparticles with significant reduction in aggregation compared to their unmodified state. Moreover, the functional moieties had strong chemical interaction with the surface of the doped nanoparticles. The biocompatible surface modification using MEEETES should also be extended to several other transition metal ion doped and co-doped CNPs for the production of aqueous dispersible redox altered CNPs that are promising for nanobiology and medicine.

  8. Influence of substrate preparation on the shaping of the topography of the surface of nanoceramic oxide layers

    Science.gov (United States)

    Bara, Marek; Kubica, Marek

    2014-02-01

    The paper discusses the shaping mechanism and changes occurring in the structure and topography of the surface of nanoceramic oxide layers during their formation. The paper presents the influence of substrate preparation on the surface topography of oxide layers. The layers were produced via hard anodizing on the EN AW-5251 aluminum alloy. The layers obtained were subjected to microscope examinations, image and chemical composition analyses, and stereometric examinations. Heredity of substrate properties in the topography of the surface of nanoceramic oxide layers formed as a result of electrochemical oxidation has been shown.

  9. Phenol by direct hydroxylation of benzene with nitrous oxide - role of surface oxygen species in the reaction pathways

    Energy Technology Data Exchange (ETDEWEB)

    Reitzmann, A.; Klemm, E.; Emig, G. [Erlangen-Nuernberg Univ., Erlangen (Germany). Lehrstuhl fuer Technische Chemie 1; Buchholz, S.A.; Zanthoff, H.W. [Bochum Univ. (Germany). Inst. of Technical Chemistry

    1998-12-31

    Transient experiments in a Temporal Analysis of Products (TAP) Reactor were performed to elucidate the role of surface oyxgen species in the oxidation of benzene to phenol on ZSM-5 type zeolites with nitrous oxide as a selective oxidant. It was shown by puls experiments with nitrous oxide that the mean lifetime of the generated surface oxygen species is between 0.2s at 500 C and about 4.2 s at 400 C. Afterwards the surface oxygen species desorb as molecular oxygen into the gas phase where total oxidation will take place if hydrocarbons are present. Dual puls experiments consisting of a nitrous oxide puls followed by a benzene puls allowed studying the reactivity of the surface oxygen species formed during the first puls. The observation of the phenol formation was impeded due to the strong sorption of phenol. Multipulse experiments were necessary to reach a pseudo steady state phenol yield. (orig.)

  10. Gold nanostar-enhanced surface plasmon resonance biosensor based on carboxyl-functionalized graphene oxide

    International Nuclear Information System (INIS)

    Wu, Qiong; Sun, Ying; Ma, Pinyi; Zhang, Di; Li, Shuo; Wang, Xinghua; Song, Daqian

    2016-01-01

    A new high-sensitivity surface plasmon resonance (SPR) biosensor based on biofunctional gold nanostars (AuNSs) and carboxyl-functionalized graphene oxide (cGO) sheets was described. Compared with spherical gold nanoparticles (AuNPs), the anisotropic structure of AuNSs, which concentrates the electric charge density on its sharp tips, could enhance the local electromagnetic field and the electronic coupling effect significantly. cGO was obtained by a diazonium reaction of graphene oxide (GO) with 4-aminobenzoic acid. Compared with GO, cGO could immobilize more antibodies due to the abundant carboxylic groups on its surface. Testing results show that there are fairly large improvements in the analytical performance of the SPR biosensor using cGO/AuNSs-antigen conjugate, and the detection limit of the proposed biosensor is 0.0375 μg mL"−"1, which is 32 times lower than that of graphene oxide-based biosensor. - Highlights: • A sensitive and versatile SPR biosensor was constructed for detection of pig IgG. • Biofunctional gold nanostars were used to amplify the response signals. • The strategy employed carboxyl-functionalized graphene oxide as biosensing substrate. • The detection limit of the proposed biosensor is 32 times lower than that of graphene oxide-based biosensor.

  11. Surface oxidation on thin films affects ionization cross section induced by proton beam

    International Nuclear Information System (INIS)

    Bertol, Ana Paula Lamberti; Vasconcellos, M.A.Z.; Hinrichs, Ruth; Limandri, Silvina; Trincavelli, Jorge

    2012-01-01

    Full text: In microanalysis techniques such as Particle Induced X-ray Emission (PIXE), the transformation from intensity to concentration is made by standard less software that needs exact values of fundamental parameters such as the ionization cross section, transition probabilities of the different electronic levels, and fluorescent yield. The three parameters together measure the photon generating probability of an electronic transition and can be determined experimentally under the name of production cross section. These measurements are performed on thin films, with thickness around 10 nm, but most studies do not take into account any spontaneous surface oxidation. In this work, in the attempt to obtain cross section values of Al, Si and Ti, in metallic and oxide films, the influence of surface oxidation on the metallic films was established. Simulations considering the oxidation with the software SIMNRA on the Rutherford backscattering (RBS) spectra obtained from the films provided mass thickness values used to calculate the cross section data that were compared with theoretical values (PWBA and ECPSSR), and with experimental values and empirical adjustments from other studies. The inclusion of the natural oxidation affects the values of cross section, and may be one of the causes of discrepancies between the experimental values published in literature. (author)

  12. Gold nanostar-enhanced surface plasmon resonance biosensor based on carboxyl-functionalized graphene oxide

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Qiong; Sun, Ying; Ma, Pinyi; Zhang, Di; Li, Shuo; Wang, Xinghua; Song, Daqian, E-mail: songdq@jlu.edu.cn

    2016-03-24

    A new high-sensitivity surface plasmon resonance (SPR) biosensor based on biofunctional gold nanostars (AuNSs) and carboxyl-functionalized graphene oxide (cGO) sheets was described. Compared with spherical gold nanoparticles (AuNPs), the anisotropic structure of AuNSs, which concentrates the electric charge density on its sharp tips, could enhance the local electromagnetic field and the electronic coupling effect significantly. cGO was obtained by a diazonium reaction of graphene oxide (GO) with 4-aminobenzoic acid. Compared with GO, cGO could immobilize more antibodies due to the abundant carboxylic groups on its surface. Testing results show that there are fairly large improvements in the analytical performance of the SPR biosensor using cGO/AuNSs-antigen conjugate, and the detection limit of the proposed biosensor is 0.0375 μg mL{sup −1}, which is 32 times lower than that of graphene oxide-based biosensor. - Highlights: • A sensitive and versatile SPR biosensor was constructed for detection of pig IgG. • Biofunctional gold nanostars were used to amplify the response signals. • The strategy employed carboxyl-functionalized graphene oxide as biosensing substrate. • The detection limit of the proposed biosensor is 32 times lower than that of graphene oxide-based biosensor.

  13. Efficiency improvement of multicrystalline silicon solar cells after surface and grain boundaries passivation using vanadium oxide

    Energy Technology Data Exchange (ETDEWEB)

    Derbali, L., E-mail: rayan.slat@yahoo.fr [Photovoltaiec Laboratory, Research and Technology Center of Energy, Technopole de Borj-Cedria, BP 95, Hammam-Lif 2050 (Tunisia); Ezzaouia, H. [Photovoltaiec Laboratory, Research and Technology Center of Energy, Technopole de Borj-Cedria, BP 95, Hammam-Lif 2050 (Tunisia)

    2012-08-01

    Highlights: Black-Right-Pointing-Pointer Evaporation of vanadium pentoxide onto the front surface leads to reduce the surface reflectivity considerably. Black-Right-Pointing-Pointer An efficient surface passivation can be obtained after thermal treatment of obtained films. Black-Right-Pointing-Pointer Efficiency of the obtained solar cells has been improved noticeably after thermal treatment of deposited thin films. - Abstract: The aim of this work is to investigate the effect of vanadium oxide deposition onto the front surface of multicrystalline silicon (mc-Si) substrat, without any additional cost in the fabrication process and leading to an efficient surface and grain boundaries (GBs) passivation that have not been reported before. The lowest reflectance of mc-Si coated with vanadium oxide film of 9% was achieved by annealing the deposited film at 600 Degree-Sign C. Vanadium pentoxide (V{sub 2}O{sub 5}) were thermally evaporated onto the surface of mc-Si substrates, followed by a short annealing duration at a temperature ranging between 600 Degree-Sign C and 800 Degree-Sign C, under O{sub 2} atmosphere. The chemical composition of the films was analyzed by means of Fourier transform infrared spectroscopy (FTIR). Surface and cross-section morphology were determined by atomic force microscope (AFM) and a scanning electron microscope (SEM), respectively. The deposited vanadium oxide thin films make the possibility of combining in one processing step an antireflection coating deposition along with efficient surface state passivation, as compared to a reference wafer. Silicon solar cells based on untreated and treated mc-Si wafers were achieved. We showed that mc-silicon solar cells, subjected to the above treatment, have better short circuit currents and open-circuit voltages than those made from untreated wafers. Thus, the efficiency of obtained solar cells has been improved.

  14. Efficiency improvement of multicrystalline silicon solar cells after surface and grain boundaries passivation using vanadium oxide

    International Nuclear Information System (INIS)

    Derbali, L.; Ezzaouia, H.

    2012-01-01

    Highlights: ► Evaporation of vanadium pentoxide onto the front surface leads to reduce the surface reflectivity considerably. ► An efficient surface passivation can be obtained after thermal treatment of obtained films. ► Efficiency of the obtained solar cells has been improved noticeably after thermal treatment of deposited thin films. - Abstract: The aim of this work is to investigate the effect of vanadium oxide deposition onto the front surface of multicrystalline silicon (mc-Si) substrat, without any additional cost in the fabrication process and leading to an efficient surface and grain boundaries (GBs) passivation that have not been reported before. The lowest reflectance of mc-Si coated with vanadium oxide film of 9% was achieved by annealing the deposited film at 600 °C. Vanadium pentoxide (V 2 O 5 ) were thermally evaporated onto the surface of mc-Si substrates, followed by a short annealing duration at a temperature ranging between 600 °C and 800 °C, under O 2 atmosphere. The chemical composition of the films was analyzed by means of Fourier transform infrared spectroscopy (FTIR). Surface and cross-section morphology were determined by atomic force microscope (AFM) and a scanning electron microscope (SEM), respectively. The deposited vanadium oxide thin films make the possibility of combining in one processing step an antireflection coating deposition along with efficient surface state passivation, as compared to a reference wafer. Silicon solar cells based on untreated and treated mc-Si wafers were achieved. We showed that mc-silicon solar cells, subjected to the above treatment, have better short circuit currents and open-circuit voltages than those made from untreated wafers. Thus, the efficiency of obtained solar cells has been improved.

  15. Structural and spectroscopic characterisations of the surface oxide scales and inclusions present on edge-burst hot-rolled steel coils

    International Nuclear Information System (INIS)

    Chowdhury, Anirban; Iyyappan, Ramasamy; Majumdar, Dipanwita; Singha, Achintya

    2014-01-01

    Detailed structural and spectroscopic characterisations have been carried out on the inclusions and the surface oxides present on edge-burst hot-rolled steel coils. Surface scales were characterised through X-ray diffraction (XRD), scanning electron microscopy (SEM) and Raman spectroscopy. Evidence of different types of regular and non-stoichiometric Fe-oxides was found on the cracked surface of the steel wire. Along with the surface scales inclusions with calcium aluminate and spinel was characterized using Raman spectroscopy. The usefulness of Raman spectroscopy has been explored in detail for the characterisation of these inclusions; especially when XRD information ceases to be a limiting tool. The samples collected from the clogged nozzle area were found to be of grossite (CaO·2Al 2 O 3 ) phase and this was also observed in the inclusions in the finished coils. It was found that this particular calcium aluminate phase has a detrimental effect on casting and final finished steel products. - Highlights: • First investigation and surface study report on edge-bursting issue of steel coils. • Detailed characterisations of the inclusions and surface oxide scales in steel. • Influence of a particular type of calcium aluminate phase on process chemistry

  16. [Distribution and Diversity of Ammonium-oxidizing Archaea and Ammonium-oxidizing Bacteria in Surface Sediments of Oujiang River].

    Science.gov (United States)

    Li, Hu; Huang, Fu-yi; Su, Jian-qiang; Hong, You-wei; Yu, Shen

    2015-12-01

    Ammonia-oxidizing archaea (AOA) and ammonia-oxidizing bacteria (AOB) play important roles in the biogeochemical nitrogen cycle. Rivers are important ecosystems containing a large number of functional microbes in nitrogen cycle. In this study, denaturing gradient gel electrophoresis (DGGE ) and real-time quantitative PCR (qPCR) technology were used to analyze the distribution and diversity of AOA and AOB in sediments from Oujiang. The results showed that the AOA community structure was similar among various sites, while the AOB community structure was significantly different, in which all detected AOB sequences were classified into Nitrosospira and Nitrosomonas, and 90% affiliated to Nitrosospira. The community composition of AOA was influenced by NH₄⁺ and TS, in addition, the AOB composition was affected by NH₄⁺, EC, pH, NO₃⁻, TC and TN. Total sulfur (TS) and electrical conductivity (EC) were the major factors influencing the diversity of AOA and AOB, respectively. AOA abundance was significantly higher than that of AOB. EC, NH₄⁺-N and NO₃⁻-N were the main environmental factors affecting the abundance of AOA and AOB. This study indicated that the community composition and diversity of AOA and AOB were significantly influenced by environmental factors, and AOA might be dominant drivers in the ammonia oxidation process in Oujiang surface sediment.

  17. Strengthening of Zircaloy-4 with Oxide Particles by Surface Treatment using Laser Beam

    Energy Technology Data Exchange (ETDEWEB)

    Jung, Yang Il; Park, Jung Hwan; Park, Dong Jun; Kim, Hyun Gil; Yang, Jae Ho; Koo, Yang Hyun [KAERI, Daejeon (Korea, Republic of)

    2016-05-15

    Accident tolerant fuel (ATF) cladding is being developed globally after the Fukushima accident with the demands for the nuclear fuel having higher safety at normal operation conditions as well as even in a severe accident conditions. Korea Atomic Energy Research Institute (KAERI) is one of the leading organizations for developing ATF claddings. One concept is to form an oxidation-resistant layer on Zr cladding surface. The other is to increase high-temperature mechanical strength of Zr tube. High-power laser beam was exposed on the zirconium surface previously coated by oxides. Various oxides such as Y{sub 2}O{sub 3}, CeO{sub 2}, Gd{sub 2}O{sub 3}, Er{sub 2}O{sub 3} were used for the ODS treatment. In this study, the effect of strengthening by the ODS treatment was investigated. The oxide particles of Y{sub 2}O{sub 3} were dispersed well in the Zr matrix at the surface region.

  18. Novel Size and Surface Oxide Effects in Silicon Nanowires as Lithium Battery Anodes

    KAUST Repository

    McDowell, Matthew T.

    2011-09-14

    With its high specific capacity, silicon is a promising anode material for high-energy lithium-ion batteries, but volume expansion and fracture during lithium reaction have prevented implementation. Si nanostructures have shown resistance to fracture during cycling, but the critical effects of nanostructure size and native surface oxide on volume expansion and cycling performance are not understood. Here, we use an ex situ transmission electron microscopy technique to observe the same Si nanowires before and after lithiation and have discovered the impacts of size and surface oxide on volume expansion. For nanowires with native SiO2, the surface oxide can suppress the volume expansion during lithiation for nanowires with diameters <∼50 nm. Finite element modeling shows that the oxide layer can induce compressive hydrostatic stress that could act to limit the extent of lithiation. The understanding developed herein of how volume expansion and extent of lithiation can depend on nanomaterial structure is important for the improvement of Si-based anodes. © 2011 American Chemical Society.

  19. Rapid Surface Oxidation as a Source of Surface Degradation Factor for Bi 2 Se 3

    KAUST Repository

    Kong, Desheng; Cha, Judy J.; Lai, Keji; Peng, Hailin; Analytis, James G.; Meister, Stefan; Chen, Yulin; Zhang, Hai-Jun; Fisher, Ian R.; Shen, Zhi-Xun; Cui, Yi

    2011-01-01

    Bismuth selenide (Bi2Se3) is a topological insulator with metallic surface states (SS) residing in a large bulk bandgap. In experiments, synthesized Bi2Se3 is often heavily n-type doped due to selenium vacancies. Furthermore, it is discovered from

  20. Solid state chemistry of rare earth oxides. Final report, September 1, 1950--July 31, 1977

    International Nuclear Information System (INIS)

    Eyring, L.

    1977-07-01

    Work under Contract E(11-1)-1109 and its antecedents has been primarily for the purpose of obtaining detailed thermodynamic, kinetic and structural information on the complex rare earth oxides of praseodymium and terbium. These systems exhibit homologous series of ordered phases, order-disorder transformations, wide-range nonstoichiometric phases, chemical hysteresis in two-phase regions and many other solid state reaction phenomena. Fluorite-related materials of importance to ERDA occur as nuclear fuels, radiation power sources, insulators and solid electrolytes. The rare earth oxides serve directly as model systems for such similar materials and, in a more general sense, they serve as models of solids in general since they exhibit nearly the full range of solid state properties

  1. Friction of self-lubricating surfaces by ion beam techniques. Final technical report

    Energy Technology Data Exchange (ETDEWEB)

    Bhattacharya, R.S.; Rai, A.K.

    1992-05-01

    UES, Inc. conducted a research and development program designed to establish conditions for ion implantation/mixing of suitable additives into the surfaces of bulk ceramics and metals for obtaining self-lubricating low friction and wear characteristics. The substrates considered were ZrO{sub 2}, Al{sub 2}O{sub 3}, Si{sub 3}N{sub 4}, steel and Ni-base superalloy. The lubricant additives chosen were BaF{sub 2}/CaF{sub 2}Ag, MoS{sub 2}, WS{sub 2}and B{sub 2}O{sub 3}. The initial tasks of the program were to synthesis these lubricant compounds by co-implantation of constituent elements if sufficient beams of desired elements were obtained. The final tasks were to investigate high energy (MeV) ion mixing of deposited coatings as well as to investigate ion beam assisted deposition using low energy ion beams. It was shown that MoS{sub 2} can be synthesized by co-implantation of Mo{sup +} and S{sup +} in ceramic materials with appropriate choice of energies to obtain nearly overlapping depth profiles. The sliding life of DC magnetron sputtered MoS{sub 2} films of thicknesses {approximately}7500{Angstrom} on ceramic materials such as sapphire, Si{sub 3}N{sub 4} and ZrO{sub 3} were improved by ten to thousand fold after 2 Mev Ag{sup +} ion mixing. Ion beam assisted deposition (IBAD) and ion beam mixing were utilized to fabricate self-lubricating coatings of CaF{sub 2}/Ag and BaF/CaF{sub 2}/Ag composites.

  2. Plasma-oxidation of Ge(100)-surfaces characterized by MIES, UPS and XPS

    Energy Technology Data Exchange (ETDEWEB)

    Wegewitz, Lienhard; Dahle, Sebastian; Maus-Friedrichs, Wolfgang [Institut fuer Energieforschung und Physikalische Technologien, Technische Universitaet Clausthal, Leibnizstr. 4, 38678 Clausthal-Zellerfeld (Germany); Hoefft, Oliver; Endres, Frank [Institut fuer Mechanische Verfahrenstechnik, Technische Universitaet Clausthal, Arnold-Sommerfeld-Str. 6, 38678 Clausthal-Zellerfeld (Germany); Vioel, Wolfgang [HAWK Goettingen, Fakultaet Naturwissenschaften und Technik, Von-Ossietzky-Str. 99, 37085 Goettingen (Germany)

    2011-07-01

    Cleaning and passivation of Germanium surfaces is of tremendous technological interest. Germanium has various applications, for example in complementary metal-oxide-semiconductor elements. It turned out to be difficult to prepare contamination free Germanium surfaces by methods of wet chemistry. Several attempts have been made preparing such surfaces by different plasma treatments. We report cleaning and passivation of Ge(100)-surfaces by dielectric barrier discharge plasma at ambient temperature in oxygen and in air studied by Metastable Induced Electron Spectroscopy (MIES) and Photoelectron Spectroscopy (UPS(He I) and XPS). The plasma treatment is carried out in a special high-vacuum chamber which operates up to ambient pressure and is directly connected to the ultra-high vacuum chamber including the analysis equipment. In summary the air plasma treatment as well as the oxygen plasma treatment result in contamination free GeO{sub 2} covered surfaces.

  3. Surface State Capture Cross-Section at the Interface between Silicon and Hafnium Oxide

    Directory of Open Access Journals (Sweden)

    Fu-Chien Chiu

    2013-01-01

    Full Text Available The interfacial properties between silicon and hafnium oxide (HfO2 are explored by the gated-diode method and the subthreshold measurement. The density of interface-trapped charges, the current induced by surface defect centers, the surface recombination velocity, and the surface state capture cross-section are obtained in this work. Among the interfacial properties, the surface state capture cross-section is approximately constant even if the postdeposition annealing condition is changed. This effective capture cross-section of surface states is about 2.4 × 10−15 cm2, which may be an inherent nature in the HfO2/Si interface.

  4. Stripping scattering of fast atoms on surfaces of metal-oxide crystals and ultrathin films

    International Nuclear Information System (INIS)

    Blauth, David

    2010-01-01

    In the framework of the present dissertation the interactions of fast atoms with surfaces of bulk oxides, metals and thin films on metals were studied. The experiments were performed in the regime of grazing incidence of atoms with energies of some keV. The advantage of this scattering geometry is the high surface sensibility and thus the possibility to determine the crystallographic and electronic characteristics of the topmost surface layer. In addition to these experiments, the energy loss and the electron emission induced by scattered projectiles was investigated. The energy for electron emission and exciton excitation on Alumina/NiAl(110) and SiO 2 /Mo(112) are determined. By detection of the number of projectile induced emitted electrons as function of azimuthal angle for the rotation of the target surface, the geometrical structure of atoms forming the topmost layer of different adsorbate films on metal surfaces where determined via ion beam triangulation. (orig.)

  5. Studies of Oxidation of the Cu(100) Surface Using Low Energy Positrons

    International Nuclear Information System (INIS)

    Fazleev, N. G.; Maddox, W. B.; Nadesalingam, M.; Rajeshwar, K.; Weiss, A. H.

    2009-01-01

    Changes in the surface of an oxidized Cu(100) single crystal resulting from vacuum annealing have been investigated using positron annihilation induced Auger electron spectroscopy (PAES). PAES measurements show a large increase in the intensity of the positron annihilation induced Cu M 2,3 VV Auger peak as the sample is subjected to a series of isochronal anneals in vacuum up to annealing temperature 300 deg. C. The intensity then decreases monotonically as the annealing temperature is increased to ∼600 deg. C. Experimental PAES results are analyzed by performing calculations of positron surface states and annihilation probabilities of surface-trapped positrons with relevant core electrons taking into account the charge redistribution at the surface, surface reconstructions, and electron-positron correlations effects. Possible explanation for the observed behavior of the intensity of positron annihilation induced Cu M 2,3 VV Auger peak with changes of the annealing temperature is proposed.

  6. Electric-Loading Enhanced Kinetics in Oxide Ceramics: Pore Migration, Sintering and Grain Growth: Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Chen, I-Wei [Univ. of Pennsylvania, Philadelphia, PA (United States). Dept. of Materials Science & Engineering

    2018-02-02

    Solid oxide fuel cells and solid oxide electrolysis cells rely on solid electrolytes in which a large ionic current dominates. This project was initiated to investigate microstructural changes in such devices under electrochemical forces, because nominally insignificant processes may couple to the large ionic current to yield non-equilibrium phenomena that alter the microstructure. Our studies had focused on yttria-stabilized cubic zirconia (YSZ) widely used in these devices. The experiments have revealed enhanced grain growth at higher temperatures, pore and gas bubble migration at all temperatures, and the latter also lead to enhanced sintering of highly porous ceramics into fully dense ceramics at unprecedentedly low temperatures. These results have shed light on kinetic processes that fall completely outside the realm of classical ceramic processing. Other fast-oxygen oxide ceramics closely related to, and often used in conjunction with zirconia ceramics, have also be investigated, as are closely related scientific problems in zirconia ceramics. These include crystal structures, defects, diffusion kinetics, oxygen potentials, low temperature sintering, flash sintering, and coarsening theory, and all have resulted in greater clarity in scientific understanding. The knowledge is leveraged to provide new insight to electrode kinetics and near-electrode mixed conductivity and to new materials. In the following areas, our research has resulted in completely new knowledge that defines the state-of-the-art of the field. (a) Electrical current driven non-equilibrium phenomena, (b) Enhanced grain growth under electrochemically reducing conditions, (c) Development of oxygen potential polarization in electrically loaded electrolyte, (d) Low temperature sintering and grain growth, and (e) Structure, defects and cation kinetics of fluorite-structured oxides. Our research has also contributed to synthesis of new energy-relevant electrochemical materials and new understanding

  7. Kinetics and mechanism of heterogeneous oxidation of sulfur dioxide by ozone on surface of calcium carbonate

    Directory of Open Access Journals (Sweden)

    L. Li

    2006-01-01

    Full Text Available Sulfate particles play a key role in the air quality and the global climate, but the heterogeneous formation mechanism of sulfates on surfaces of atmospheric particles is not well established. Carbonates, which act as a reactive component in mineral dust due to their special chemical properties, may contribute significantly to the sulfate formation by heterogeneous processes. This paper presents a study on the oxidation of SO2 by O3 on CaCO3 particles. Using Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS, the formation of sulfite and sulfate on the surface was identified, and the roles of O3 and water in oxidation processes were determined. The results showed that in the presence of O3, SO2can be oxidized to sulfate on the surface of CaCO3 particles. The reaction is first order in SO2 and zero order in O3. The reactive uptake coefficient for SO2 [(0.6–9.8×1014 molecule cm-3] oxidation by O3 [(1.2–12×1014 molecule cm-3] was determined to be (1.4±0.3×10-7 using the BET area as the reactive area and (7.7±1.6×10-4 using the geometric area. A two-stage mechanism that involves adsorption of SO2 followed by O3 oxidation is proposed and the adsorption of SO2 on the CaCO3 surface is the rate-determining step. The proposed mechanism can well explain the experiment results. The atmospheric implications were explored based on a box model calculation. It was found that the heterogeneous reaction might be an important pathway for sulfate formation in the atmosphere.

  8. Prediction of iodide adsorption on oxides by surface complexation modeling with spectroscopic confirmation.

    Science.gov (United States)

    Nagata, Takahiro; Fukushi, Keisuke; Takahashi, Yoshio

    2009-04-15

    A deficiency in environmental iodine can cause a number of health problems. Understanding how iodine is sequestered by materials is helpful for evaluating and developing methods for minimizing human health effects related to iodine. In addition, (129)I is considered to be strategically important for safety assessment of underground radioactive waste disposal. To assess the long-term stability of disposed radioactive waste, an understanding of (129)I adsorption on geologic materials is essential. Therefore, the adsorption of I(-) on naturally occurring oxides is of environmental concern. The surface charges of hydrous ferric oxide (HFO) in NaI electrolyte solutions were measured by potentiometric acid-base titration. The surface charge data were analyzed by means of an extended triple-layer model (ETLM) for surface complexation modeling to obtain the I(-) adsorption reaction and its equilibrium constant. The adsorption of I(-) was determined to be an outer-sphere process from ETLM analysis, which was consistent with independent X-ray absorption near-edge structure (XANES) observation of I(-) adsorbed on HFO. The adsorption equilibrium constants for I(-) on beta-TiO(2) and gamma-Al(2)O(3) were also evaluated by analyzing the surface charge data of these oxides in NaI solution as reported in the literature. Comparison of these adsorption equilibrium constants for HFO, beta-TiO(2), and gamma-Al(2)O(3) based on site-occupancy standard states permitted prediction of I(-) adsorption equilibrium constants for all oxides by means of the Born solvation theory. The batch adsorption data for I(-) on HFO and amorphous aluminum oxide were reasonably reproduced by ETLM with the predicted equilibrium constants, confirming the validity of the present approach. Using the predicted adsorption equilibrium constants, we calculated distribution coefficient (K(d)) values for I(-) adsorption on common soil minerals as a function of pH and ionic strength.

  9. Role of surface chemistry in modified ACF (activated carbon fiber)-catalyzed peroxymonosulfate oxidation

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Shiying, E-mail: ysy@ouc.edu.cn [Key Laboratory of Marine Environment and Ecology, Ministry of Education, Qingdao 266100 (China); College of Environmental Science and Engineering, Ocean University of China, Qingdao 266100 (China); Shandong Provincial Key Laboratory of Marine Environment and Geological Engineering (MEGE), Qingdao 266100 (China); Li, Lei [College of Environmental Science and Engineering, Ocean University of China, Qingdao 266100 (China); Xiao, Tuo [College of Environmental Science and Engineering, Ocean University of China, Qingdao 266100 (China); China City Environment Protection Engineering Limited Company, Wuhan 430071 (China); Zheng, Di; Zhang, Yitao [College of Environmental Science and Engineering, Ocean University of China, Qingdao 266100 (China)

    2016-10-15

    Highlights: • ACF can efficiently activate peroxymonosulfate to degrade organic pollutants. • Basic functional groups may mainly increase the adsorption capacity of ACF. • C1, N1, N2 have promoting effect on the ACF catalyzed PMS oxidation. • Modification by heat after nitric acid is also a way of ACF regeneration. - Abstract: A commercial activated carbon fiber (ACF-0) was modified by three different methods: nitration treatment (ACF-N), heat treatment (ACF-H) and heat treatment after nitration (ACF-NH), and the effects of textural and chemical properties on the ability of the metal-free ACF-catalyzed peroxymonosulfate (PMS) oxidation of Reactive Black 5 (RB5), an azo dye being difficultly adsorbed onto ACF, in aqueous solution were investigated in this work. Surface density of functional groups, surface area changes, surface morphology and the chemical state inside ACF samples were characterized by Boehm titration, N{sub 2} adsorption, scanning electron microscopy in couple with energy dispersive spectroscopy (SEM-EDS) and X-ray photoelectron spectroscopy (XPS), respectively. XPS spectra deconvolution was applied to figure out the importance of surface nitrogen-containing function groups. We found that π-π, pyridine and amine have promoting effect on the catalytic oxidation while the −NO{sub 2} has inhibitory effect on the ACF/PMS systems for RB5 destroy. Sustainability and renewability of the typical ACF-NH for catalytic oxidation of RB5 were also discussed in detail. Information about our conclusions are useful to control and improve the performance of ACF-catalyzed PMS oxidation for organic pollutants in wastewater treatment.

  10. Enhancement of the oxidation resistance of carbon fibres in C/C composites via surface treatments

    Energy Technology Data Exchange (ETDEWEB)

    Labruquere, S.; Pailler, R.; Naslain, R. [Bordeaux Univ., Pessac (France). Lab. des Composites Thermostructuraux; Desbat, B. [Lab. de Spectroscopie Moleculaire et Cristalline, Univ. of Bordeaux, Talence (France)

    1997-12-31

    Carbon-carbon (C/C) composites are commonly used in rockets and braking systems. However, the carbon reacts with oxygen, burning away rapidly at temperatures as low as 450 C. This work deals with the protection of carbon fibres from oxidation between 600 and 1000 C. Two kinds of methods were investigated to protect carbon fibres: (i) surface treatment with aqueous solutions (e.g. of H3PO4) and (ii) chemical vapour deposition (CVD) of SiC coatings. Oxidation resistance of the as treated preforms was studied under dry air atmosphere. (orig.) 2 refs.

  11. NO oxidation on Zeolite Supported Cu Catalysts: Formation and Reactivity of Surface Nitrates

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Hai-Ying; Wei, Zhehao; Kollar, Marton; Gao, Feng; Wang, Yilin; Szanyi, Janos; Peden, Charles HF

    2016-04-18

    The comparative activities of a small-pore Cu-CHA and a large-pore Cu-BEA catalyst for the selective catalytic reduction (SCR) of NOx with NH3, and for the oxidation of NO to NO2 and the subsequent formation of surface nitrates were investigated. Although both catalysts are highly active in SCR reactions, they exhibit very low NO oxidation activity. Furthermore, Cu-CHA is even less active than Cu-BEA in catalyzing NO oxidation but is clearly more active for SCR reactions. Temperature-programed desorption (TPD) experiments following the adsorption of (NO2 + NO + O2) with different NO2:NO ratios reveal that the poor NO oxidation activity of the two catalysts is not due to the formation of stable surface nitrates. On the contrary, NO is found to reduce and decompose the surface nitrates on both catalysts. To monitor the reaction pathways, isotope exchange experiments were conducted by using 15NO to react with 14N-nitrate covered catalyst surfaces. The evolution of FTIR spectra during the isotope exchange process demonstrates that 14N-nitrates are simply displaced with no formation of 15N-nitrates on the Cu-CHA sample, which is clearly different from that observed on the Cu-BEA sample where formation of 15N-nitrates is apparent. The results suggest that the formal oxidation state of N during the NO oxidation on Cu-CHA mainly proceeds from its original +2 to a +3 oxidation state, whereas reaching a higher oxidation state for N, such as +4 or +5, is possible on Cu-BEA. The authors at PNNL gratefully acknowledge the US Department of Energy (DOE), Energy Efficiency and Renewable Energy, Vehicle Technologies Office for the support of this work. The research described in this paper was performed at the Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the DOE’s Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). PNNL is operated for the US DOE by Battelle.

  12. A microbial-mineralization approach for syntheses of iron oxides with a high specific surface area.

    Science.gov (United States)

    Yagita, Naoki; Oaki, Yuya; Imai, Hiroaki

    2013-04-02

    Of minerals and microbes: A microbial-mineralization-inspired approach was used to facilitate the syntheses of iron oxides with a high specific surface area, such as 253 m(2)g(-1) for maghemite (γ-Fe(2)O(3)) and 148 m(2)g(-1) for hematite (α-Fe(2)O(3)). These iron oxides can be applied to electrode material of lithium-ion batteries, adsorbents, and catalysts. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Structure and nano-mechanical characteristics of surface oxide layers on a metallic glass.

    Science.gov (United States)

    Caron, A; Qin, C L; Gu, L; González, S; Shluger, A; Fecht, H-J; Louzguine-Luzgin, D V; Inoue, A

    2011-03-04

    Owing to their low elastic moduli, high specific strength and excellent processing characteristics in the undercooled liquid state, metallic glasses are promising materials for applications in micromechanical systems. With miniaturization of metallic mechanical components down to the micrometer scale, the importance of a native oxide layer on a glass surface is increasing. In this work we use TEM and XPS to characterize the structure and properties of the native oxide layer grown on Ni(62)Nb(38) metallic glass and their evolution after annealing in air. The thickness of the oxide layer almost doubled after annealing. In both cases the oxide layer is amorphous and consists predominantly of Nb oxide. We investigate the friction behavior at low loads and in ambient conditions (i.e. at T = 295 K and 60% air humidity) of both as-cast and annealed samples by friction force microscopy. After annealing the friction coefficient is found to have significantly increased. We attribute this effect to the increase of the mechanical stability of the oxide layer upon annealing.

  14. The growth and evolution of thin oxide films on delta-plutonium surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Garcia Flores, Harry G [Los Alamos National Laboratory; Pugmire, David L [Los Alamos National Laboratory

    2009-01-01

    The common oxides of plutonium are the dioxide (PuO{sub 2}) and the sesquioxide (Pu{sub 2}O{sub 3}). The structure of an oxide on plutonium metal under air at room temperature is typically described as a thick PuO{sub 2} film at the gas-oxide interface with a thinner PuO{sub 2} film near the oxide-metal substrate interface. In a reducing environment, such as ultra high vacuum, the dioxide (Pu{sup 4+}; O/Pu = 2.0) readily converts to the sesquioxide (Pu{sup 3+}; O/Pu = 1.5) with time. In this work, the growth and evolution of thin plutonium oxide films is studied with x-ray photoelectron spectroscopy (XPS) under varying conditions. The results indicate that, like the dioxide, the sesquioxide is not stable on a very clean metal substrate under reducing conditions, resulting in substoichiometric films (Pu{sub 2}O{sub 3-y}). The Pu{sub 2}O{sub 3-y} films prepared exhibit a variety of stoichiometries (y = 0.2-1) as a function of preparation conditions, highlighting the fact that caution must be exercised when studying plutonium oxide surfaces under these conditions and interpreting resulting data.

  15. Structural and surface changes of cobalt modified manganese oxide during activation and ethanol steam reforming reaction

    Science.gov (United States)

    Gac, Wojciech; Greluk, Magdalena; Słowik, Grzegorz; Turczyniak-Surdacka, Sylwia

    2018-05-01

    Surface and structural changes of unmodified manganese and cobalt-manganese oxide during activation and ethanol steam reforming reaction conditions (ESR) were studied by means of X-ray diffraction, X-ray photoelectron spectroscopy, temperature-programmed reduction/oxidation (TPR/TPO) and transmission electron microscopy. It was shown that synthesis of cobalt manganese oxide by the redox precipitation method led to the formation of strongly dispersed cobalt ionic species within cryptomelane-based manganese oxide structure. Development of large cube-like MnO nanoparticles with spherical cobalt metallic crystallites decorated by manganese oxide on the high oxidation state and potassium species was observed during reduction. Cobalt manganese catalyst showed high initial activity and selectivity to H2 and CO2 in ethanol stem reforming reaction in the range of 390-480 °C. The drop of ethanol conversion and changes of selectivity with the time-on-stream were observed. An increase of reaction temperature led to intensification of deactivation phenomena. TEM studies evidenced coexistence of Co and CoOx nanoparticles formed under ethanol steam reforming conditions, partially covered by filamentous and encapsulating carbonaceous deposits.

  16. New roots to formation of nanostructures on glass surface through anodic oxidation of sputtered aluminum

    Directory of Open Access Journals (Sweden)

    Satoru Inoue, Song-Zhu Chu, Kenji Wada, Di Li and Hajime Haneda

    2003-01-01

    Full Text Available New processes for the preparation of nanostructure on glass surfaces have been developed through anodic oxidation of sputtered aluminum. Aluminum thin film sputtered on a tin doped indium oxide (ITO thin film on a glass surface was converted into alumina by anodic oxidation. The anodic alumina gave nanometer size pore array standing vertically on the glass surface. Kinds of acids used in the anodic oxidation changed the pore size drastically. The employment of phosphoric acid solution gave several tens nanometer size pores. Oxalic acid cases produced a few tens nanometer size pores and sulfuric acid solution provided a few nanometer size pores. The number of pores in a unit area could be changed with varying the applied voltage in the anodization and the pore sizes could be increased by phosphoric acid etching. The specimen consisting of a glass substrate with the alumina nanostructures on the surface could transmit UV and visible light. An etched specimen was dipped in a TiO2 sol solution, resulting in the impregnation of TiO2 sol into the pores of alumina layer. The TiO2 sol was heated at ~400 °C for 2 h, converting into anatase phase TiO2. The specimens possessing TiO2 film on the pore wall were transparent to the light in UV–Visible region. The electro deposition technique was applied to the introduction of Ni metal into pores, giving Ni nanorod array on the glass surface. The removal of the barrier layer alumina at the bottom of the pores was necessary to attain smooth electro deposition of Ni. The photo catalytic function of the specimens possessing TiO2 nanotube array was investigated in the decomposition of acetaldehyde gas under the irradiation of UV light, showing that the rate of the decomposition was quite large.

  17. Narrow titanium oxide nanowires induced by femtosecond laser pulses on a titanium surface

    Energy Technology Data Exchange (ETDEWEB)

    Li, Hui; Li, Xian-Feng [Laboratory of Nanophotonic Functional Materials and Devices, School of Information and Optoelectronic Science and Engineering, South China Normal University, Guangzhou 510006 (China); Zhang, Cheng-Yun [School of Physics and Electronic Engineering, Guangzhou University, Guangzhou 510006 (China); Tie, Shao-Long [School of Chemistry and Environment, South China Normal University, Guangzhou 510006 (China); Lan, Sheng, E-mail: slan@scnu.edu.cn [Laboratory of Nanophotonic Functional Materials and Devices, School of Information and Optoelectronic Science and Engineering, South China Normal University, Guangzhou 510006 (China)

    2017-02-28

    Highlights: • Titanium oxide nanowires with a feature width as narrow as ∼20 nm were induced on a titanium surface by using femtosecond laser pulses at 400 nm. • An evolution of the surface structure from a high spatial frequency laser-induced periodic structure parallel to the laser polarization to a low spatial frequency one perpendicular to the laser polarization was observed with increasing irradiation pulse number. • The formation of the titanium oxide nanowires was confirmed by the energy dispersive spectroscopy measurements and the evolution of the surface structure was successfully interpreted by using the efficacy factor theory. - Abstract: The evolution of the nanostructure induced on a titanium (Ti) surface with increasing irradiation pulse number by using a 400-nm femtosecond laser was examined by using scanning electron microscopy. High spatial frequency periodic structures of TiO{sub 2} parallel to the laser polarization were initially observed because of the laser-induced oxidation of the Ti surface and the larger efficacy factor of TiO{sub 2} in this direction. Periodically aligned TiO{sub 2} nanowires with featured width as small as 20 nm were obtained. With increasing pulse number, however, low spatial frequency periodic structures of Ti perpendicular to the laser polarization became dominant because Ti possesses a larger efficacy factor in this direction. The competition between the high- and low-spatial frequency periodic structures is in good agreement with the prediction of the efficacy factor theory and it should also be observed in the femtosecond laser ablation of other metals which are easily oxidized in air.

  18. Insights into the Surface Reactivity of Cermet and Perovskite Electrodes in Oxidizing, Reducing, and Humid Environments.

    Science.gov (United States)

    Paloukis, Fotios; Papazisi, Kalliopi M; Dintzer, Thierry; Papaefthimiou, Vasiliki; Saveleva, Viktoriia A; Balomenou, Stella P; Tsiplakides, Dimitrios; Bournel, Fabrice; Gallet, Jean-Jacques; Zafeiratos, Spyridon

    2017-08-02

    Understanding the surface chemistry of electrode materials under gas environments is important in order to control their performance during electrochemical and catalytic applications. This work compares the surface reactivity of Ni/YSZ and La 0.75 Sr 0.25 Cr 0.9 Fe 0.1 O 3 , which are commonly used types of electrodes in solid oxide electrochemical devices. In situ synchrotron-based near-ambient pressure photoemission and absorption spectroscopy experiments, assisted by theoretical spectral simulations and combined with microscopy and electrochemical measurements, are used to monitor the effect of the gas atmosphere on the chemical state, the morphology, and the electrical conductivity of the electrodes. It is shown that the surface of both electrode types readjusts fast to the reactive gas atmosphere and their surface composition is notably modified. In the case of Ni/YSZ, this is followed by evident changes in the oxidation state of nickel, while for La 0.75 Sr 0.25 Cr 0.9 Fe 0.1 O 3 , a fine adjustment of the Cr valence and strong Sr segregation is observed. An important difference between the two electrodes is their capacity to maintain adsorbed hydroxyl groups on their surface, which is expected to be critical for the electrocatalytic properties of the materials. The insight gained from the surface analysis may serve as a paradigm for understanding the effect of the gas environment on the electrochemical performance and the electrical conductivity of the electrodes.

  19. Photocatalytic oxidation of NOx gases using TiO2: a surface spectroscopic approach

    International Nuclear Information System (INIS)

    Dalton, J.S.; Janes, P.A.; Jones, N.G.; Nicholson, J.A.; Hallam, K.R.; Allen, G.C.

    2002-01-01

    X-ray photoelectron spectroscopy (XPS) and Raman spectroscopy were used to study surface reactions between nitrogen oxides and TiO 2 on surfaces. - The bandgap of solid-state TiO 2 (3.2 eV) enables it to be a useful photocatalyst in the ultraviolet (λ 2 surface in the presence of sunlight therefore enables the removal of harmful NO x gases from the atmosphere by oxidation to nitrates. These properties, in addition to the whiteness, relative cheapness and non-toxicity, make TiO 2 ideal for the many de-NOX catalysts that are currently being commercially exploited both in the UK and Japan for concrete paving materials in inner cities. There is need, however, for further academic understanding of the surface reactions involved. Hence, we have used surface specific techniques, including X-ray photoelectron spectroscopy and Raman spectroscopy, to investigate the NO x adsorbate reaction at the TiO 2 substrate surface

  20. Effect of dew point on the formation of surface oxides of twinning-induced plasticity steel

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Yunkyum [Department of Materials Science and Engineering, Korea University, Anam-Dong, Seongbuk-Gu, Seoul 136–713 (Korea, Republic of); Lee, Joonho, E-mail: joonholee@korea.ac.kr [Department of Materials Science and Engineering, Korea University, Anam-Dong, Seongbuk-Gu, Seoul 136–713 (Korea, Republic of); Shin, Kwang-Soo [Research Institute of Industrial Science and Technology, Pohang 790–600 (Korea, Republic of); Jeon, Sun-Ho; Chin, Kwang-Geun [POSCO Technical Research Laboratories, Gwangyang 545–090 (Korea, Republic of)

    2014-03-01

    The surface oxides of twinning-induced plasticity (TWIP) steel annealed at 800 °C for 43 s were investigated using transmission electron microscopy. During the annealing process, the oxygen potential was controlled by adjusting the dew point in a 15%H{sub 2}–N{sub 2} gas atmosphere. It was found that the type of surface oxides formed and the thickness of the oxide layer were determined by the dew point. In a gas mixture with a dew point of − 20 °C, a MnO layer with a thickness of ∼ 100 nm was formed uniformly on the steel surface. Under the MnO layer, a MnAl{sub 2}O{sub 4} layer with a thickness of ∼ 15 nm was formed with small Mn{sub 2}SiO{sub 4} particles that measured ∼ 70 nm in diameter. Approximately 500 nm below the MnAl{sub 2}O{sub 4} layer, Al{sub 2}O{sub 3} was formed at the grain boundaries. On the other hand, in a gas mixture with a dew point of − 40 °C, a MnAl{sub 2}O{sub 4} layer with a thickness of ∼ 5 nm was formed on most parts of the surface. On some parts of the surface, Mn{sub 2}SiO{sub 4} particles were formed irregularly up to a thickness of ∼ 50 nm. Approximately 200 nm below the MnAl{sub 2}O{sub 4} layer, Al{sub 2}O{sub 3} was found at the grain boundaries. Thermodynamic calculations were performed to explain the experimental results. The calculations showed that when a{sub O2} > ∼ 1.26 × 10{sup −28}, MnO, MnAl{sub 2}O{sub 4}, and Mn{sub 2}SiO{sub 4} can be formed together, and the major oxide is MnO. When a{sub O2} is in the range of 1.26 × 10{sup −28}–2.51 × 10{sup −31}, MnO is not stable but MnAl{sub 2}O{sub 4} is the major oxide. When a{sub O2} < ∼ 2.51 × 10{sup −31}, only Al{sub 2}O{sub 3} is stable. Consequently, the effective activity of oxygen is considered the dominant factor in determining the type and shape of surface oxides of TWIP steel. - Highlights: • The surface oxides of TWIP steel annealed at 800 °C were investigated using TEM. • The surface oxides were determined by the dew point

  1. Surface oxidation of porous ZrB2-SiC ceramic composites by continuous-wave ytterbium fibre laser

    International Nuclear Information System (INIS)

    Mahmod, Dayang Salyani Abang; Glandut, Nicolas; Khan, Amir Azam; Labbe, Jean-Claude

    2015-01-01

    Highlights: • Surface oxidation of ZrB 2 -SiC ceramic composites by Yb-fibre laser. • Round spiral laser pattern created for the surface oxidation. • Presence of laser-formed oxide scale and unaffected beneath regions. • Crazed but uncracked surface oxide. • A dense glassy SiO 2 -rich layer exhibited enhances oxidation resistance. - Abstract: Surface treatment of ceramic substrates by a laser beam can allow to incorporate interesting properties to these ceramics. In the present work, surface oxidation of ca. 30% porous ZrB 2 -SiC ceramic composites by using an ytterbium fibre laser was conducted. Oxidation of ceramic substrates through this process under ambient conditions has certain advantages compared to the classical oxidation method. A particular spiral laser pattern was created in order to produce an oxidized structure on ZrB 2 -SiC porous substrates. The laser parameters were as follows i.e., laser power of 50, 60 and 70 W, a beam diameter of 1.25 mm, velocity of 2 mm/s, acceleration and deceleration of 1 mm/s 2 . The microstructural and morphological changes in the laser-treated region was examined using scanning electron microscopy, energy dispersive X-ray spectroscopy, and X-ray diffraction. At laser power of 70 W, the sample exhibits uniform oxidation. It revealed that the very porous bulk beneath remained unaffected and unoxidized because this laser-formed oxide scale protects the substrate from oxidation. The presence of oxidized and unaffected regions indicated a high degree of heat localization. The dense glassy SiO 2 -rich layer prevents the inward oxygen diffusion into the inner bulk hence enhances the oxidation resistance.

  2. Partial catalytic oxidation of CH{sub 4} to synthesis gas for power generation - Final report

    Energy Technology Data Exchange (ETDEWEB)

    Mantzaras, I.; Schneider, A.

    2006-03-15

    The partial oxidation of methane to synthesis gas over rhodium catalysts has been investigated experimentally and numerically in the pressure range of 4 to 10 bar. The methane/oxidizer feed has been diluted with large amounts of H{sub 2}O and CO{sub 2} (up to 70% vol.) in order to simulate new power generation cycles with large exhaust gas recycle. Experiments were carried out in an optically accessible channel-flow reactor that facilitated laser-based in situ measurements, and also in a subscale gas-turbine catalytic reactor. Full-elliptic steady and transient two-dimensional numerical codes were used, which included elementary hetero-/homogeneous chemical reaction schemes. The following are the key conclusions: a) Heterogeneous (catalytic) and homogeneous (gas-phase) schemes have been validated for the partial catalytic oxidation of methane with large exhaust gas recycle. b) The impact of added H{sub 2}O and CO{sub 2} has been elucidated. The added H{sub 2}O increased the methane conversion and hydrogen selectivity, while it decreased the CO selectivity. The chemical impact of CO{sub 2} (dry reforming) was minimal. c) The numerical model reproduced the measured catalytic ignition times. It was further shown that the chemical impact of H{sub 2}O and CO{sub 2} on the catalytic ignition delay times was minimal. d) The noble metal dispersion increased with different support materials, in the order Rh/{alpha}-Al{sub 2}O{sub 3}, Rh/ZrO{sub 2}, and Rh/Ce-ZrO{sub 2}. An evident relationship was established between the noble metal dispersion and the catalytic behavior. (authors)

  3. Adsorption behavior of oxidized galactomannans onto amino terminated surfaces and their interaction with bovine serum albumin

    International Nuclear Information System (INIS)

    Sierakowski, M.-R; Silva, Maria R.V. da; Freitas, R.A.; Moreira, Jose S.R.; Fujimoto, J.; Petri, D.F.S.; Cordeiro, Paulo R.D.; Andrade, Fabiana D.

    2001-01-01

    A galactomannan (CF) extracted from Cassia fastuosa seeds was purified and oxidized with (2,2,6,6- tetramethylpiperidine-1-oxyl) to form a uronic acid-containing polysaccharide (CFOX) with a degree of oxidation (DO) of 0.22. The chemical structures of CF and CFOX were characterized. The adsorption behavior of CF and CFOX onto amino-terminated surfaces was studied by means of ellipsometric measurements. The influence of p H and ionic strength on the adsorption was also investigated. At p H 4, there was a maximum in the adsorbed amount caused by strong electrostatic attraction between the substrate and the oxidized galactomannans. There was no ionic strength effect on the adsorption behavior. The immobilization of bovine serum albumin onto CF and CFOX was studied as a function of p H. At the isoelectric point a maximum in the adsorbed amount was found. (author)

  4. Adsorption behavior of oxidized galactomannans onto amino terminated surfaces and their interaction with bovine serum albumin

    Energy Technology Data Exchange (ETDEWEB)

    Sierakowski, M.-R; Silva, Maria R.V. da [Universidade Federal do Parana, Curitiba, PR (Brazil). Dept. de Quimica. Lab. de Biopolimeros]. E-mail: mrbiopol@quimica.ufpr.br; Freitas, R.A.; Moreira, Jose S.R. [Universidade Federal do Parana, Curitiba, PR (Brazil). Dept. de Bioquimica; Fujimoto, J.; Petri, D.F.S.; Cordeiro, Paulo R.D. [Sao Paulo Univ., SP (Brazil). Inst. de Quimica]. E-mail: dfsp@quim.iq.usp.br; Andrade, Fabiana D

    2001-07-01

    A galactomannan (CF) extracted from Cassia fastuosa seeds was purified and oxidized with (2,2,6,6- tetramethylpiperidine-1-oxyl) to form a uronic acid-containing polysaccharide (CFOX) with a degree of oxidation (DO) of 0.22. The chemical structures of CF and CFOX were characterized. The adsorption behavior of CF and CFOX onto amino-terminated surfaces was studied by means of ellipsometric measurements. The influence of p H and ionic strength on the adsorption was also investigated. At p H 4, there was a maximum in the adsorbed amount caused by strong electrostatic attraction between the substrate and the oxidized galactomannans. There was no ionic strength effect on the adsorption behavior. The immobilization of bovine serum albumin onto CF and CFOX was studied as a function of p H. At the isoelectric point a maximum in the adsorbed amount was found. (author)

  5. Experimental simulations of oxidizing conditions and organic decomposition on the surface of Mars

    International Nuclear Information System (INIS)

    Stoker, C.R.; Mancinelli, R.L.; Mckay, C.P.

    1988-01-01

    One important scientific objective of a Mars Rover Sample Return mission would be to look for traces of living and extinct life on Mars. An instrument to search for organic carbon may be the simplest instrument that could screen samples which are interesting from a biological point of view. An experimental program is described which would help to understand the nature of the oxidizing soil on Mars and the mechanism responsible for organic degradation on the Martian surface. This is approached by lab simulations of the actual conditions that occur on Mars, particularly the oxidant production by atmospheric photochemistry, and the combined effects of UV light and oxidants in decomposing organic compounds. The results will be used to formulate models of the photochemistry of the atmospheric, the atmosphere-soil interaction, and the diffusion of reactive compounds into the soils. This information will provide insights and constraints on the design of a sampling strategy to search for organic compounds on Mars

  6. Oxidation and Metal-Insertion in Molybdenite Surfaces: Evaluation of Charge-Transfer Mechanisms and Dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Ramana, Chintalapalle V.; Becker, U.; Shutthanandan, V.; Julien, C. M.

    2008-06-05

    Molybdenum sulfide (MoS2), an important representative member of the layered transition-metal dichalcogenides, has been of special importance to the research community of geochemistry, materials and environmental chemistry, and industrial science and technology. Understanding the oxidation behavior and charge-transfer mechanisms in MoS2 is important to gain better insight into the degradation of this mineral in the environment. On the other hand understanding the insertion of metals into molybdenite and evaluation of charge-transfer mechanism and dynamics is quite important to utilize these minerals in technological applications. Furthermore, such a detailed investigation of thermal oxidation behavior and intercalation process will provide a basis to further explore and model the mechanism of adsorption of metal ions on to geomedia. Therefore, the present work was performed to understand the oxidation and intercalation processes of molybdenite surfaces. The results obtained, using a wide variety of analytical techniques, are presented and discussed in this paper.

  7. High Density, Insensitive Oxidizer With RDX Performance Final Report CRADA No. TC02178.0

    Energy Technology Data Exchange (ETDEWEB)

    Pagoria, P. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Preda, D. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2017-08-25

    This was a collaborative effort between Lawrence Livermore National Security, LLC as manager and operator of Lawrence Livermore National Laboratory (LLNL) and Physical Sciences, Inc. (PSI), to develop a synthesis and evaluate a novel high density, insensitive oxidizer with RDX performance. This CRADA resulted from the award of a Phase I STTR ("STTR") from DOD. In recent years, the synthesis of new energetic heterocyclic compounds to replace the energetic materials currently in the stockpile has received a great amount of attention. The Office of the Secretary of Defense has identified that there is a need to incorporate new energetic materials in current and future weapon systems in an effort to increase performance and decrease sensitivity. For many of the future weapon systems, incorporation of energetic compounds currently in the stockpile will not provide the desired performance and sensitivity goals. The success of this CRADA may lead to a Phase I option STTR from DOD and to a Phase II STTR from DOD. The goal of this CRADA was to produce and test a novel oxidizer, 2,5,8-trinitroheptazine (TNH).

  8. Obesity-Associated Oxidative Stress: Strategies Finalized to Improve Redox State

    Directory of Open Access Journals (Sweden)

    Valeria Gasperi

    2013-05-01

    Full Text Available Obesity represents a major risk factor for a plethora of severe diseases, including diabetes, cardiovascular disease, non-alcoholic fatty liver disease, and cancer. It is often accompanied by an increased risk of mortality and, in the case of non-fatal health problems, the quality of life is impaired because of associated conditions, including sleep apnea, respiratory problems, osteoarthritis, and infertility. Recent evidence suggests that oxidative stress may be the mechanistic link between obesity and related complications. In obese patients, antioxidant defenses are lower than normal weight counterparts and their levels inversely correlate with central adiposity; obesity is also characterized by enhanced levels of reactive oxygen or nitrogen species. Inadequacy of antioxidant defenses probably relies on different factors: obese individuals may have a lower intake of antioxidant- and phytochemical-rich foods, such as fruits, vegetables, and legumes; otherwise, consumption of antioxidant nutrients is normal, but obese individuals may have an increased utilization of these molecules, likewise to that reported in diabetic patients and smokers. Also inadequate physical activity may account for a decreased antioxidant state. In this review, we describe current concepts in the meaning of obesity as a state of chronic oxidative stress and the potential interventions to improve redox balance.

  9. Obesity-Associated Oxidative Stress: Strategies Finalized to Improve Redox State

    Science.gov (United States)

    Savini, Isabella; Catani, Maria Valeria; Evangelista, Daniela; Gasperi, Valeria; Avigliano, Luciana

    2013-01-01

    Obesity represents a major risk factor for a plethora of severe diseases, including diabetes, cardiovascular disease, non-alcoholic fatty liver disease, and cancer. It is often accompanied by an increased risk of mortality and, in the case of non-fatal health problems, the quality of life is impaired because of associated conditions, including sleep apnea, respiratory problems, osteoarthritis, and infertility. Recent evidence suggests that oxidative stress may be the mechanistic link between obesity and related complications. In obese patients, antioxidant defenses are lower than normal weight counterparts and their levels inversely correlate with central adiposity; obesity is also characterized by enhanced levels of reactive oxygen or nitrogen species. Inadequacy of antioxidant defenses probably relies on different factors: obese individuals may have a lower intake of antioxidant- and phytochemical-rich foods, such as fruits, vegetables, and legumes; otherwise, consumption of antioxidant nutrients is normal, but obese individuals may have an increased utilization of these molecules, likewise to that reported in diabetic patients and smokers. Also inadequate physical activity may account for a decreased antioxidant state. In this review, we describe current concepts in the meaning of obesity as a state of chronic oxidative stress and the potential interventions to improve redox balance. PMID:23698776

  10. MIS High-Purity Plutonium Oxide Hydride Product 5501579 (SSR124): Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Veirs, Douglas Kirk [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Stroud, Mary Ann [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Berg, John M. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Narlesky, Joshua Edward [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Worl, Laura Ann [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Martinex, Max A. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Carillo, Alex [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2018-02-08

    A high-purity plutonium dioxide material from the Material Identification and Surveillance (MIS) Program inventory has been studied with regard to gas generation and corrosion in a storage environment. Sample 5501579 represents process plutonium oxides from hydride oxide from Rocky Flats that are currently stored in 3013 containers. After calcination to 950°C, the material contained 87.42% plutonium with no major impurities. This study followed over time, the gas pressure of a sample with nominally 0.5 wt% water in a sealed container with an internal volume scaled to 1/500th of the volume of a 3013 container. Gas compositions were measured periodically over a six year period. The maximum observed gas pressure was 124 kPa. The increase over the initial pressure of 70 kPa was primarily due to generation of nitrogen and carbon dioxide gas. Hydrogen and oxygen were minor components of the headspace gas. At the completion of the study, the internal components of the sealed container showed signs of corrosion.

  11. Effect of surface oxide on the melting behavior of lead-free solder nanowires and nanorods

    International Nuclear Information System (INIS)

    Gao Fan; Rajathurai, Karunaharan; Cui, Qingzhou; Zhou, Guangwen; NkengforAcha, Irene; Gu Zhiyong

    2012-01-01

    Lead-free nanosolders have shown promise in nanowire and nanoelectronics assembly. Among various important parameters, melting is the most fundamental property affecting the assembly process. Here we report that the melting behavior of tin and tin/silver nanowires and nanorods can be significantly affected by the surface oxide of nanosolders. By controlling the nanosolder reflow atmosphere using a flux, the surface oxide of the nanowires/nanorods can be effectively removed and complete nanosolder melting can be achieved. The complete melting of the nanosolders leads to the formation of nanoscale to microscale spherical solder balls, followed by Ostwald ripening phenomenon. The contact angle of the microscale solder balls formed on Si substrate was measured by direct electron microscopic imaging. These results provide new insights into micro- and nanoscale phase transition and liquid droplet coalescence from nanowires/nanorods to spheroids, and are relevant to nanoscale assembly and smaller ball grid array formation.

  12. Surface modification of iron oxide nanoparticles and their conjuntion with water soluble polymers for biomedical application

    International Nuclear Information System (INIS)

    Nguyen Thanh Huong; Lam Thi Kieu Giang; Nguyen Thanh Binh; Le Quoc Minh

    2009-01-01

    Superparamagnetic iron oxide nanoparticles (SPION) coated with suitable bio-compatible substances have been used in biomedicine, particularly in magnetic resonance imaging (MRI), tissue engineering, and hyperthermia and drug delivery. In this study, we describe the synthesis of SPION and its surface modification for in-vitro experiments. The particle diameter and structure were estimated by FESEM, TEM, XRD analyses. The saturation magnetization was characterized. SPION with a mean size of 12 nm have been prepared under N 2 atmosphere, with support of natural polymeric starch, by controlling chemical coprecipitation of magnetite phase from aqueous solutions containing suitable salts ratios of Fe 2+ and Fe 3+ . The surface of SPION-nanoparticles was treated with a coordinatable agent for higher dispersion ability in water and remaining the superparamagnetic behavior. The prepared iron oxide nanoparticles were coated with starch, dextran, PEG or MPEG to extend the application potential in the quite different engineering field of nano biomedicine.

  13. Evaluation of electro-oxidation of biologically treated landfill leachate using response surface methodology

    International Nuclear Information System (INIS)

    Zhang Hui; Ran Xiaoni; Wu Xiaogang; Zhang Daobin

    2011-01-01

    Box-Behnken statistical experiment design and response surface methodology were used to investigate electrochemical oxidation of mature landfill leachate pretreated by sequencing batch reactor (SBR). Titanium coated with ruthenium dioxide (RuO 2 ) and iridium dioxide (IrO 2 ) was used as the anode in this study. The variables included current density, inter-electrode gap and reaction time. Response factors were ammonia nitrogen removal efficiency and COD removal efficiency. The response surface methodology models were derived based on the results. The predicted values calculated with the model equations were very close to the experimental values and the models were highly significant. The organic components before and after electrochemical oxidation were determined by GC-MS.

  14. Metal release behavior of surface oxidized stainless steels into flowing high temperature pure water

    International Nuclear Information System (INIS)

    Fujiwara, Kazuo; Tomari, Haruo; Nakayama, Takenori; Shimogori, Kazutoshi; Ishigure, Kenkichi; Matsuura, Chihiro; Fujita, Norihiko; Ono, Shoichi.

    1987-01-01

    In order to clarify the effect of oxidation treatment of Type 304 SS on the inhibition of metal release into high temperature pure water, metal release rate of individual alloying element into flowing deionized water containing 50 ppb dissolved oxygen was measured as the function of exposure time on representative specimens oxidized in air and steam. The behavior of metal release was also discussed in relation to the structure of surface films. Among the alloying elements the amount of Fe ion, Cr ion and Fe crud in high temperature pure water tended to saturate with the exposure time and that of Ni ion and Co ion tended to increase monotonously with the exposure time for all specimens tested. And the treatment of steam-oxidation was the most effective to decrease the metal release of alloying elements and the treatment by air-oxidation also decreased the metal release. These tendencies were confirmed to correlate well with the structure of the surface films as it was in the results in the static autoclave test. (author)

  15. Inhibition of methane oxidation in slurry surface crust by inorganic nitrogen

    DEFF Research Database (Denmark)

    Duan, Yun-Feng; Elsgaard, Lars; Petersen, Søren O

    2013-01-01

    Livestock slurry is an important source of methane (CH4). Depending on dry matter content, a floating crust may form where methane-oxidizing bacteria (MOB) and CH4 oxidation activity have been found, suggesting that surface crusts may reduce CH4 emissions from slurry. However, it is not known how...... MOB in this environment interact with inorganic nitrogen (N). We studied inhibitory effects of ammonium (NH4+), nitrate (NO3–) and nitrite (NO2–) on potential CH4 oxidation in a cattle slurry surface crust. Methane oxidation was assayed at salt concentrations up to 500 mM at 100 and 10,000 ppmv...... headspace CH4. First-order rate constants were used to evaluate the strength of inhibition. Nitrite was the most potent inhibitor, reducing methanotrophic activity by up to 70% at only 1 mM NO2–. MOB were least sensitive to NO3–, tolerating up to 30 mM NO3– at 100 ppmv CH4 and 50 mM NO3– at 10,000 ppmv CH4...

  16. Data-driven exploration of copper mineralogy and its application to Earth's near-surface oxidation

    Science.gov (United States)

    Morrison, S. M.; Eleish, A.; Runyon, S.; Prabhu, A.; Fox, P. A.; Ralph, J.; Golden, J. J.; Downs, R. T.; Liu, C.; Meyer, M.; Hazen, R. M.

    2017-12-01

    Earth's atmospheric composition has changed radically throughout geologic history.1,2 The oxidation of our atmosphere, driven by biology, began with the Great Oxidation Event (GOE) 2.5 Ga and has heavily influenced Earth's near surface mineralogy. Therefore, temporal trends in mineral occurrence elucidate large and small scale geologic and biologic processes. Cu, and other first-row transition elements, are of particular interest due to their variation in valance state and sensitivity to ƒO2. Widespread formation of oxidized Cu mineral species (Cu2+) would not have been possible prior to the GOE and we have found that the proportion of oxidized Cu minerals increased steadily with the increase in atmospheric O2 on Earth's surface (see Fig. 1). To better characterize the changes in Cu mineralogy through time, we have employed advanced analytical and visualization methods. These techniques rely on large and growing mineral databases (e.g., rruff.info, mindat.org, earthchem.org, usgs.gov) and allow us to quantify and visualize multi-dimensional trends.5

  17. Partial oxidation of landfill leachate in supercritical water: Optimization by response surface methodology

    International Nuclear Information System (INIS)

    Gong, Yanmeng; Wang, Shuzhong; Xu, Haidong; Guo, Yang; Tang, Xingying

    2015-01-01

    Highlights: • Partial oxidation of landfill leachate in supercritical water was investigated. • The process was optimized by Box–Behnken design and response surface methodology. • GY H2 , TRE and CR could exhibit up to 14.32 mmol·gTOC −1 , 82.54% and 94.56%. • Small amounts of oxidant can decrease the generation of tar and char. - Abstract: To achieve the maximum H 2 yield (GY H2 ), TOC removal rate (TRE) and carbon recovery rate (CR), response surface methodology was applied to optimize the process parameters for supercritical water partial oxidation (SWPO) of landfill leachate in a batch reactor. Quadratic polynomial models for GY H2 , CR and TRE were established with Box–Behnken design. GY H2 , CR and TRE reached up to 14.32 mmol·gTOC −1 , 82.54% and 94.56% under optimum conditions, respectively. TRE was invariably above 91.87%. In contrast, TC removal rate (TR) only changed from 8.76% to 32.98%. Furthermore, carbonate and bicarbonate were the most abundant carbonaceous substances in product, whereas CO 2 and H 2 were the most abundant gaseous products. As a product of nitrogen-containing organics, NH 3 has an important effect on gas composition. The carbon balance cannot be reached duo to the formation of tar and char. CR increased with the increase of temperature and oxidation coefficient

  18. Adsorption of the diazo dye Direct Red 23 onto a zinc oxide surface: A spectroscopic study

    Science.gov (United States)

    Lucilha, Adriana Campano; Bonancêa, Carlos Eduardo; Barreto, Wagner José; Takashima, Keiko

    2010-01-01

    The adsorption of the diazo dye Direct Red 23 onto a zinc oxide surface at 30 °C in the dark was investigated. The color reduction was monitored by spectrophotometry at 503 nm. The FTIR and Raman spectra of the Direct Red 23 adsorption as a function of ZnO concentration were registered. From the PM3 semi-empirical calculations of the atomic charge density and dipole moment of the Direct Red 23 molecule, it was demonstrated that the azo dye molecule may be adsorbed onto the ZnO surface through molecule geometry modifications, enhancing the interfacial area causing a variation in the bonding frequencies.

  19. Removal of carbonaceous deposits from the surface of cobalt-molybdate catalyst via oxidative regeneration

    Energy Technology Data Exchange (ETDEWEB)

    Yoshimura, Y.; Furimsky, E.

    1986-10-01

    The oxidative regeneration of cobalt-molybdate catalyst used during the hydrodeoxygenation of a phenol solution and for hydrotreatment of Athabasca bitumen was carried out in a fixed-bed reactor. SO/sub 2/, CO and CO/sub 2/ were analysed as the major products. The surface area of the spent catalysts was the main factor influencing the initial rate of regeneration, i.e. the greater the surface area the higher the initial rate. A mechanism proposed includes 12 reactions which may play an important role in the overall burn-off of hydrotreatment catalysts. 10 refs., 4 figs., 3 tabs.

  20. Surface nanostructuring by ion-induced localized plasma expansion in zinc oxide

    Energy Technology Data Exchange (ETDEWEB)

    El-Said, A. S., E-mail: elsaid@kfupm.edu.sa, E-mail: a.s.el-said@hzdr.de [Physics Department, King Fahd University of Petroleum and Minerals, Dhahran 31261 (Saudi Arabia); Institute of Ion Beam Physics and Materials Research, Helmholtz-Zentrum Dresden-Rossendorf (HZDR), 01328 Dresden (Germany); Physics Department, Faculty of Science, Mansoura University, 35516 Mansoura (Egypt); Moslem, W. M. [Department of Physics, Faculty of Science, Port Said University, Port Said 42521 (Egypt); Centre for Theoretical Physics, British University in Egypt (BUE), El-Shorouk City, Cairo (Egypt); Djebli, M. [Theoretical Physics Laboratory, Faculty of Physics USTHB, B.P. 32 Bab Ezzour, 16079 Algiers (Algeria)

    2014-06-09

    Creation of hillock-like nanostructures on the surface of zinc oxide single crystals by irradiation with slow highly charged ions is reported. At constant kinetic energy, the nanostructures were only observed after irradiation with ions of potential energies above a threshold between 19.1 keV and 23.3 keV. The size of the nanostructures increases as a function of potential energy. A plasma expansion approach is used to explain the nanostructures creation. The calculations showed that the surface nanostructures became taller with the increase of ionic temperature. The influence of charged cluster formation and the relevance of their polarity are discussed.

  1. Surface nanostructuring by ion-induced localized plasma expansion in zinc oxide

    International Nuclear Information System (INIS)

    El-Said, A. S.; Moslem, W. M.; Djebli, M.

    2014-01-01

    Creation of hillock-like nanostructures on the surface of zinc oxide single crystals by irradiation with slow highly charged ions is reported. At constant kinetic energy, the nanostructures were only observed after irradiation with ions of potential energies above a threshold between 19.1 keV and 23.3 keV. The size of the nanostructures increases as a function of potential energy. A plasma expansion approach is used to explain the nanostructures creation. The calculations showed that the surface nanostructures became taller with the increase of ionic temperature. The influence of charged cluster formation and the relevance of their polarity are discussed.

  2. Electronic detection of surface plasmon polaritons by metal-oxide-silicon capacitor

    Directory of Open Access Journals (Sweden)

    Robert E. Peale

    2016-09-01

    Full Text Available An electronic detector of surface plasmon polaritons (SPPs is reported. SPPs optically excited on a metal surface using a prism coupler are detected by using a close-coupled metal-oxide-silicon (MOS capacitor. Incidence-angle dependence is explained by Fresnel transmittance calculations, which also are used to investigate the dependence of photo-response on structure dimensions. Electrodynamic simulations agree with theory and experiment and additionally provide spatial intensity distributions on and off the SPP excitation resonance. Experimental dependence of the photoresponse on substrate carrier type, carrier concentration, and back-contact biasing is qualitatively explained by simple theory of MOS capacitors.

  3. Silver-graphene oxide based plasmonic spacer for surface plasmon-coupled fluorescence emission enhancements

    Science.gov (United States)

    Badiya, Pradeep Kumar; Srinivasan, Venkatesh; Sathish Ramamurthy, Sai

    2017-06-01

    We report the application of single layered graphene oxide (SLGO) and silver decorated SLGO (Ag-SLGO) as plasmonic spacer material for obtaining enhanced fluorescence from a Rhodamine 6G (Rh6G) radiating dipole in a surface plasmon-coupled emission platform. To this end, we have decorated SLGO with biphasic silver nanoparticles using an in situ deposition technique to achieve 112-fold fluorescence enhancements.

  4. Catalytic Activity and Stability of Oxides: The Role of Near-Surface Atomic Structures and Compositions

    KAUST Repository

    Feng, Zhenxing; Hong, Wesley T.; Fong, Dillon D.; Lee, Yueh-Lin; Yacoby, Yizhak; Morgan, Dane; Shao-Horn, Yang

    2016-01-01

    electrochemical operating conditions give additional insights into cation migration. Direct COBRA and APXPS evidence for surface Sr segregation was found for La1–xSrxCoO3−δ and (La1–ySry)2CoO4±δ/La1–xSrxCoO3−δ oxide thin films, and the physical origin

  5. Poly(organo phosphazene) nanoparticles surface modified with poly(ethylene oxide).

    Science.gov (United States)

    Vandorpe, J; Schacht, E; Stolnik, S; Garnett, M C; Davies, M C; Illum, L; Davis, S S

    1996-10-05

    The use of biodegradable derivatives of poly(organo phosphazenes) for the preparation of nanoparticles and their surface modification with the novel poly(ethylene oxide) derivative of poly(organo phosphazene) has been assessed using a range of in vitro characterization methods. The nanoparticles were produced by the precipitation solvent evaporation method from the derivative co-substituted with phenylalanine and glycine ethyl ester side groups. A reduction in particle size to less than 200 nm was achieved by an increase in pH of the preparation medium. The formation (and colloidal stability) of these nanoparticles seems to be controlled by two opposite effects: attractive hydrophobic interactions between phenylalanine ester groups and electrostatic repulsions arising from the carboxyl groups formed due to (partial) hydrolysis of the ester bond(s) at the high pH of the preparation medium. The poly[(glycine ethyl ester)phosphazene] derivative containing 5000-Da poly(ethylene oxide) as 5% of the side groups was used for the surface modification of nanoparticles. Adsorbed onto the particles, the polymer produced a thick coating layer of approximately 35 nm. The coated nanoparticles exhibited reduced surface negative potential and improved colloidal stability toward electrolyte-induced flocculation, relative to the uncoated system. However, the steric stabilization provided was less effective than that of a Poloxamine 908 coating. This difference in effectiveness of the steric stabilization might indicate that, although both the stabilizing polymers possess a 5000-Da poly(ethylene oxide) moiety, there is a difference in the arrangements of these poly(ethylene oxide) chains at the particle surface. (c) 1996 John Wiley & Sons, Inc.

  6. Surface conductivity of the single crystal aluminum oxide in vacuum and caesium vapors

    International Nuclear Information System (INIS)

    Vasilchenko, A.V.; Izhvanov, O.L.

    1996-01-01

    Results of measurements of surface conductivity of single-crystal aluminum oxide samples in vacuum and cesium vapors at T=620 endash 830 K and P Cs =0.13 endash 2 Pa are shown in the paper. Analysis of caesium vapor influence is carried out and ultimate characteristics of samples conductivity under operation conditions in thermionic nuclear power system (NPP) TFE are estimated. copyright 1996 American Institute of Physics

  7. Micromechanism of oxygen transport during initial stage oxidation in Si(100) surface: A ReaxFF molecular dynamics simulation study

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Yu, E-mail: yu.sun@xjtu.edu.cn [State Key Laboratory for Manufacturing Systems Engineering, School of Mechanical Engineering, Xi’an Jiaotong University, Xi’an 710049 (China); Institute for Computational Mechanics and Its Applications, Northwestern Polytechnical University, Xi’an 710072 (China); Liu, Yilun [State Key Laboratory for Strength and Vibration of Mechanical Structures, School of Aerospace Engineering, Xi’an Jiaotong University, Xi’an 710049 (China); Chen, Xuefeng; Zhai, Zhi [State Key Laboratory for Manufacturing Systems Engineering, School of Mechanical Engineering, Xi’an Jiaotong University, Xi’an 710049 (China); Xu, Fei [Institute for Computational Mechanics and Its Applications, Northwestern Polytechnical University, Xi’an 710072 (China); Liu, Yijun [Institute for Computational Mechanics and Its Applications, Northwestern Polytechnical University, Xi’an 710072 (China); Mechanical Engineering, University of Cincinnati, Cincinnati, OH 45221-0072 (United States)

    2017-06-01

    Highlights: • A competition mechanism between thermal actuation and compressive stress blocking was found for the oxygen transport. • At low temperature, a compressive stress was generated in the oxide layer which blocked oxygen transport into the deeper region. • O atoms gained larger possibility to go deeper inward as temperature increase. • The related film quality was well explained by the competition mechanism. - Abstract: The early stage oxidation in Si(100) surface has been investigated in this work by a reactive force field molecular dynamics (ReaxFF MD) simulation, manifesting that the oxygen transport acted as a dominant issue for initial oxidation process. Due to the oxidation, a compressive stress was generated in the oxide layer which blocked the oxygen transport perpendicular to the Si(100) surface and further prevented oxidation in the deeper layer. In contrast, thermal actuation was beneficial to the oxygen transport into deeper layer as temperature increases. Therefore, a competition mechanism was found for the oxygen transport during early stage oxidation in Si(100) surface. At room temperature, the oxygen transport was governed by the blocking effect of compressive stress, so a better quality oxide film with more uniform interface and more stoichiometric oxide structure was obtained. Indeed, the mechanism presented in this work is also applicable for other self-limiting oxidation (e.g. metal oxidation) and is helpful for the design of high-performance electronic devices.

  8. Micromechanism of oxygen transport during initial stage oxidation in Si(100) surface: A ReaxFF molecular dynamics simulation study

    International Nuclear Information System (INIS)

    Sun, Yu; Liu, Yilun; Chen, Xuefeng; Zhai, Zhi; Xu, Fei; Liu, Yijun

    2017-01-01

    Highlights: • A competition mechanism between thermal actuation and compressive stress blocking was found for the oxygen transport. • At low temperature, a compressive stress was generated in the oxide layer which blocked oxygen transport into the deeper region. • O atoms gained larger possibility to go deeper inward as temperature increase. • The related film quality was well explained by the competition mechanism. - Abstract: The early stage oxidation in Si(100) surface has been investigated in this work by a reactive force field molecular dynamics (ReaxFF MD) simulation, manifesting that the oxygen transport acted as a dominant issue for initial oxidation process. Due to the oxidation, a compressive stress was generated in the oxide layer which blocked the oxygen transport perpendicular to the Si(100) surface and further prevented oxidation in the deeper layer. In contrast, thermal actuation was beneficial to the oxygen transport into deeper layer as temperature increases. Therefore, a competition mechanism was found for the oxygen transport during early stage oxidation in Si(100) surface. At room temperature, the oxygen transport was governed by the blocking effect of compressive stress, so a better quality oxide film with more uniform interface and more stoichiometric oxide structure was obtained. Indeed, the mechanism presented in this work is also applicable for other self-limiting oxidation (e.g. metal oxidation) and is helpful for the design of high-performance electronic devices.

  9. Surface Properties of PAN-based Carbon Fibers Modified by Electrochemical Oxidization in Organic Electrolyte Systems

    Directory of Open Access Journals (Sweden)

    WU Bo

    2016-09-01

    Full Text Available PAN-based carbon fibers were modified by electrochemical oxidization using fatty alcohol polyoxyethylene ether phosphate (O3P, triethanolamine (TEOA and fatty alcohol polyoxyethylene ether ammonium phosphate (O3PNH4 as organic electrolyte respectively. Titration analysis, single fiber fracture strength measurement and field emission scanning electron microscopy (FE-SEM were used to evaluate the content of acidic functional group on the surface, mechanical properties and surface morphology of carbon fiber. The optimum process of electrochemical treatment obtained is at 50℃ for 2min and O3PNH4 (5%, mass fraction as the electrolyte with current density of 2A/g. In addition, the surface properties of modified carbon fibers were characterized by X-ray photoelectron spectroscopy (XPS and single fiber contact angle test. The results show that the hydrophilic acidic functional groups on the surface of carbon fiber which can enhance the surface energy are increased by the electrochemical oxidation using O3PNH4 as electrolyte, almost without any weakening to the mechanical properties of carbon fiber.

  10. Processing surface sizing starch using oxidation, enzymatic hydrolysis and ultrasonic treatment methods--Preparation and application.

    Science.gov (United States)

    Brenner, Tobias; Kiessler, Birgit; Radosta, Sylvia; Arndt, Tiemo

    2016-03-15

    The surface application of starch is a well-established method for increasing paper strength. In surface sizing, a solution of degraded starch is applied to the paper. Two procedures have proved valuable for starch degradation in the paper mill: enzymatic and thermo-oxidative degradation. The objective of this study was to determine achievable efficiencies of cavitation in preparing degraded starch for surface application on paper. It was found that ultrasonic-assisted starch degradation can provide a starch solution that is suitable for surface sizing. The molecular composition of starch solutions prepared by ultrasonic treatment differed from that of starch solutions degraded by enzymes or by thermo-oxidation. Compared to commercial degradation processes, this resulted in intensified film formation and in greater penetration during surface sizing and ultimately in a higher starch content of the paper. Paper sized with ultrasonically treated starch solutions show the same strength properties compared to commercially sized paper. Copyright © 2015 Elsevier Ltd. All rights reserved.

  11. Mg-Fe-mixed oxides derived from layered double hydroxides: A study of the surface properties

    Directory of Open Access Journals (Sweden)

    Marinković-Nedučin Radmila P.

    2011-01-01

    Full Text Available The influence of surface properties on the selectivity of the synthesized catalysts was studied, considering that their selectivity towards particular hydrocarbons is crucial for their overall activity in the chosen Fischer- -Tropsch reaction. Magnesium- and iron-containing layered double hydroxides (LDH, with the general formula: [Mg1-xFex(OH2](CO3x/2?mH2O, x = = n(Fe/(n(Mg+n(Fe, synthesized with different Mg/Fe ratio and their thermally derived mixed oxides were investigated. Magnesium was chosen because of its basic properties, whereas iron was selected due to its well-known high Fischer-Tropsch activity, redox properties and the ability to form specific active sites in the layered LDH structure required for catalytic application. The thermally less stable multiphase system (synthesized outside the optimal single LDH phase range with additional Fe-phase, having a lower content of surface acid and base active sites, a lower surface area and smaller fraction of smaller mesopores, showed higher selectivity in the Fischer-Tropsch reaction. The results of this study imply that the metastability of derived multiphase oxides structure has a greater influence on the formation of specific catalyst surface sites than other investigated surface properties.

  12. Determination of the specific surface energy of oxides and glasses in the solid-state

    International Nuclear Information System (INIS)

    Andryushechkin, S.; Karpman, M.

    2000-01-01

    The production and application of coatings on glasses are used widely in technology. The coatings on glass are used for the regulation of optical, decorative, conducting and other technological and physical properties of glass. In particular, it is important to mention the application of glass fibres for the development of composite materials. However, the specific surface energy of glass and, consequently, its adhesion characteristics are relatively low. The values of these characteristics can be changed by the application of different metallic and nonmetallic coatings is characterised by high surface energy. To produce metallic coatings with the required adhesion strength of glass, it is necessary to have information on the specific surface energy of inorganic glass of different chemical composition. The determination of the relationships between the properties and composition of glass is one of the fundamental problems. At present, a large amount of investigations have been carried out into the investigations of the properties of glass in relation to its composition. However, the problem of establishment of relationships between the properties and composition of glass are especially difficult when examining multicomponent systems (technical glass). It is therefore, in to analyse in each case the properties of not the entire system has a whole but the variation of the properties with temperature of the individual components included in the system, the subsequent application of the additivity principle. The large majority of the glasses represent combinations of oxides of the elements of groups I-III and oxides of the transition metals, forming the mixtures, solid solutions of chemical compounds in the glass production process. Thus, analysis of the characteristics of oxides of the alkali, alkali-earth and transition metals makes it possible to obtain initial data for the evaluation of the surface energy, density, molecular mass of glass containing these oxides

  13. Effect of passive film on electrochemical surface treatment for indium tin oxide

    International Nuclear Information System (INIS)

    Wu, Yung-Fu; Chen, Chi-Hao

    2013-01-01

    Highlights: ► Oxalic, tartaric, and citric acid baths accompanying with applied voltages were used to treat the ITO surface. ► We investigated the changes in ITO surfaces by examining the potentiodynamic behavior of ITO films. ► AFM analysis showed the formation of a passive layer could assist to planarize surface. ► XPS analysis indicated this passive layer was mainly composed of SnO 2. ► A better planarization was obtained by treating in 3.0 wt.% tartaric acid at 0.5 V due to weak complexation strength. - Abstract: Changes in indium tin oxide (ITO) film surface during electrochemical treatment in oxalic acid, tartaric acid, and citric acid were investigated. Controlling the voltage applied on ITO film allows the formation of a passive layer, effectively protecting the film surface. X-ray photoelectron spectrometry showed that the passive layer composition was predominantly SnO 2 in tartaric acid, while a composite of tin oxide and tin carboxylate in citric or oxalic acid. Even though the passive films on ITO surface generated in these organic acids, the indium or tin could complex with the organic acid anions, enhancing the dissolution of ITO films. The experimental results show that the interaction between the dissolution and passivation could assist to planarize the ITO surface. We found that the optimal treatment at 0.5 V in 3 wt.% tartaric acid could provide the ITO surface with root-mean-squared roughness less than 1.0 nm, due to the weak complexing characteristics of tartaric acid.

  14. Influence of steam generator surface state on corrosion and oxide formation

    International Nuclear Information System (INIS)

    Mazenc, Arnaud; Leclercq, Stephanie; Seyeux, Antoine; Galtayries, Anouk; Marcus, Philippe

    2012-09-01

    The corrosion and release of nickel-based alloy Steam Generator tubes are partly due to their surface state. Among the most important parameters influencing the corrosion, the effect of grain size and the effect of grain crystallographic orientation have been chosen to be studied. The aim of this study is to determine how these parameters have an impact on the corrosion of Steam Generator tubes. Thermal treatments (700 deg. C and 1050 deg. C) have been performed on several samples in Alloy 690 to obtain homogeneous grain sizes, varying from 25 μm to 110 μm. Two samples have been oxidised for four days in a recirculating autoclave, reproducing primary conditions. The changes of oxide composition and thickness were examined by ToF-SIMS on samples exposed to primary water conditions. The intensity profiles versus thicknesses of characteristic oxide anions, such as CrO - , NiO - or FeO - enable us to evaluate the effect of grain size and crystallographic orientation on the formation of an enriched inner chromium layer. As regards to the grain size, there was no effect on the growth, but smaller grains led to a chromium-rich oxide layer. The effect of crystallographic orientation was observed on the oxidation kinetics and the composition of oxide scales. (authors)

  15. A CEMS study of surface oxidation of Fe-Ni alloys

    International Nuclear Information System (INIS)

    Cruz, B.; Tabares, J.A.; Bohorquez, A.; Perez Alcazar, G.A.

    1997-01-01

    A study by conversion electron Moessbauer spectroscopy (CEMS) carried out by using a parallel plate avalanche counter with samples of Fe-Ni alloys (50 and 65 at.% Fe) is reported. Each sample was analyzed without oxidation and after heating it under an oxygen atmosphere at 200 C. All CEMS measurements were carried out at room temperature. In both samples (50 and 65 at.% Fe), without oxidation and after oxidation, the Moessbauer spectra showed a six line magnetic spectrum according to their ferromagnetic character, with a broad hyperfine field distribution (HFD), according to the disordered character of the alloys. The obtained mean hyperfine field (MHF) for the sample 50 at.% Fe was 30.9 T, meanwhile for the invar composition (65 at.% Fe) was 25.5 T, which is close to values previously reported by transmission Moessbauer spectroscopy (TMS). Results from the treated samples (with oxidation at 200 C) showed a difference in the surface composition as a result of this process. In the 50 at.% Fe sample, additionally appeared a double that could be assigned to an oxihydroxide of Fe 3+ . Otherwise, the 65 at.% Fe sample (invar) presented ferromagnetic oxides (α-Fe 2 O 3 and Fe 3 O 4 ) with a large relative area (82.5%). (orig.)

  16. Femtosecond laser surface structuring and oxidation of chromium thin coatings: Black chromium

    Energy Technology Data Exchange (ETDEWEB)

    Kotsedi, L., E-mail: Kotsedi@tlabs.ac.za [UNESCO-UNISA Africa Chair in Nanosciences-Nanotechnology, College of Graduate Studies, University of South Africa, Muckleneuk Ridge, P.O. Box 392, Pretoria (South Africa); Nanosciences African Network (NANOAFNET), iThemba LABS-National Research Foundation, 1 Old Faure Road, Somerset West 7129, P.O. Box 722, Somerset West, Western Cape (South Africa); Nuru, Z.Y. [UNESCO-UNISA Africa Chair in Nanosciences-Nanotechnology, College of Graduate Studies, University of South Africa, Muckleneuk Ridge, P.O. Box 392, Pretoria (South Africa); Nanosciences African Network (NANOAFNET), iThemba LABS-National Research Foundation, 1 Old Faure Road, Somerset West 7129, P.O. Box 722, Somerset West, Western Cape (South Africa); Mthunzi, P. [National Laser Centre, Council for Scientific and Industrial Research, 0001 Pretoria (South Africa); Muller, T.F.G. [University of the Western Cape, Physics Department, Bellville, 7535 Cape Town (South Africa); Eaton, S.M. [Physics Department, Politecnico di Milano, Piazza Leonardo Da Vinci, 32, 20133 Milano (Italy); Julies, B. [University of the Western Cape, Physics Department, Bellville, 7535 Cape Town (South Africa); Manikandan, E. [UNESCO-UNISA Africa Chair in Nanosciences-Nanotechnology, College of Graduate Studies, University of South Africa, Muckleneuk Ridge, P.O. Box 392, Pretoria (South Africa); Nanosciences African Network (NANOAFNET), iThemba LABS-National Research Foundation, 1 Old Faure Road, Somerset West 7129, P.O. Box 722, Somerset West, Western Cape (South Africa); Ramponi, R. [Physics Department, Politecnico di Milano, Piazza Leonardo Da Vinci, 32, 20133 Milano (Italy); Maaza, M. [UNESCO-UNISA Africa Chair in Nanosciences-Nanotechnology, College of Graduate Studies, University of South Africa, Muckleneuk Ridge, P.O. Box 392, Pretoria (South Africa); Nanosciences African Network (NANOAFNET), iThemba LABS-National Research Foundation, 1 Old Faure Road, Somerset West 7129, P.O. Box 722, Somerset West, Western Cape (South Africa)

    2014-12-01

    Highlights: • Oxidation of the chromium thin film to chromium oxide by femtosecond laser with a fundamental wavelength of 1064 nm. • Solar absorber from chromium oxide that low percentage reflectance. • Femtosecond laser oxidation, with a de-focused laser. • Chromium oxide formation by femtosecond laser in normal ambient. - Abstract: In view of their potential applications as selective solar absorbers, chromium coatings on float glass substrates were nano/micro structured by femtosecond laser in air. Raman and X-rays diffraction investigations confirmed the formation of an ultra-porous α-Cr{sub 2}O{sub 3} layer at the surface; higher is the input laser power, enhanced is the crystallinity of the α-Cr{sub 2}O{sub 3} layer. The α-Cr{sub 2}O{sub 3} layer with the Cr underneath it in addition to the photo-induced porosity acted as a classical ceramic–metal nano-composite making the reflectance to decrease significantly within the spectral range of 190–1100 nm. The average reflectance decreased from 70 to 2%.

  17. Enhancement in sensitivity of graphene-based zinc oxide assisted bimetallic surface plasmon resonance (SPR) biosensor

    Science.gov (United States)

    Kumar, Rajeev; Kushwaha, Angad S.; Srivastava, Monika; Mishra, H.; Srivastava, S. K.

    2018-03-01

    In the present communication, a highly sensitive surface plasmon resonance (SPR) biosensor with Kretschmann configuration having alternate layers, prism/zinc oxide/silver/gold/graphene/biomolecules (ss-DNA) is presented. The optimization of the proposed configuration has been accomplished by keeping the constant thickness of zinc oxide (32 nm), silver (32 nm), graphene (0.34 nm) layer and biomolecules (100 nm) for different values of gold layer thickness (1, 3 and 5 nm). The sensitivity of the proposed SPR biosensor has been demonstrated for a number of design parameters such as gold layer thickness, number of graphene layer, refractive index of biomolecules and the thickness of biomolecules layer. SPR biosensor with optimized geometry has greater sensitivity (66 deg/RIU) than the conventional (52 deg/RIU) as well as other graphene-based (53.2 deg/RIU) SPR biosensor. The effect of zinc oxide layer thickness on the sensitivity of SPR biosensor has also been analysed. From the analysis, it is found that the sensitivity increases significantly by increasing the thickness of zinc oxide layer. It means zinc oxide intermediate layer plays an important role to improve the sensitivity of the biosensor. The sensitivity of SPR biosensor also increases by increasing the number of graphene layer (upto nine layer).

  18. The role of surface oxides on hydrogen sorption kinetics in titanium thin films

    Science.gov (United States)

    Hadjixenophontos, Efi; Michalek, Lukas; Roussel, Manuel; Hirscher, Michael; Schmitz, Guido

    2018-05-01

    Titanium is presently discussed as a catalyst to accelerate the hydrogenation kinetics of hydrogen storage materials. It is however known that H absorption in Ti decisively depends on the surface conditions (presence or absence of the natural surface oxide). In this work, we use Ti thin films of controlled thickness (50-800 nm) as a convenient tool for quantifying the atomic transport. XRD and TEM investigations allow us to follow the hydrogenation progress inside the film. Hydrogenation of TiO2/Ti bi-layers is studied at 300 °C, for different durations (10 s to 600 min) and at varying pressures of pure H2 atmosphere. Under these conditions, the hydrogenation is found to be linear in time. By comparing films with and without TiO2, as well as by studying the pressure dependence of hydrogenation, it is demonstrated that hydrogen transport across the oxide represents the decisive kinetic barrier rather than the splitting of H2 molecules at the surface. Hydrogenation appears by a layer-like reaction initiated by heterogeneous nucleation at the backside interface to the substrate. The linear growth constant and the H diffusion coefficient inside the oxide are quantified, as well as a reliable lower bound to the hydrogen diffusion coefficient in Ti is derived. The pressure dependence of hydrogen absorption is quantitatively modelled.

  19. Effect of a surface oxide-dispersion-strengthened layer on mechanical strength of zircaloy-4 tubes

    Directory of Open Access Journals (Sweden)

    Yang-Il Jung

    2018-03-01

    Full Text Available An oxide-dispersion-strengthened (ODS layer was formed on Zircaloy-4 tubes by a laser beam scanning process to increase mechanical strength. Laser beam was used to scan the yttrium oxide (Y2O3–coated Zircaloy-4 tube to induce the penetration of Y2O3 particles into Zircaloy-4. Laser surface treatment resulted in the formation of an ODS layer as well as microstructural phase transformation at the surface of the tube. The mechanical strength of Zircaloy-4 increased with the formation of the ODS layer. The ring-tensile strength of Zircaloy-4 increased from 790 to 870 MPa at room temperature, from 500 to 575 MPa at 380°C, and from 385 to 470 MPa at 500°C. Strengthening became more effective as the test temperature increased. It was noted that brittle fracture occurred at room temperature, which was not observed at elevated temperatures. Resistance to dynamic high-temperature bursting improved. The burst temperature increased from 760 to 830°C at a heating rate of 5°C/s and internal pressure of 8.3 MPa. The burst opening was also smaller than those in fresh Zircaloy-4 tubes. This method is expected to enhance the safety of Zr fuel cladding tubes owing to the improvement of their mechanical properties. Keywords: Laser Surface Treatment, Microstructure, Oxide Dispersion Strengthened Alloy, Tensile Strength, Zirconium Alloy

  20. Dependence of the specific surface area of the nuclear fuel with the matrix oxidation

    International Nuclear Information System (INIS)

    Gomez, F.; Quinones, J.; Iglesias, E.; Rodriguez, N.

    2008-01-01

    This paper is focused on the study of the changes in the specific surface area measured using BET techniques. The objective is to obtain a relation between this parameter and the change in the matrix stoichiometry (i.e., oxidation increase). None of the actual models used for extrapolating the behaviour of the spent fuel matrix under repository conditions have included this dependence yet. In this work the specific surface area of different uranium oxide were measured using N 2 (g) and Kr(g). The starting material was UO 2+x (s) with a size powder distribution lower than 20 μm. The results included in this paper shown a strong dependence on specific surface area with the matrix stoichiometry, i.e., and increase of more than one order of magnitude (SUO 2 = 6 m 2 *g -1 and SU 3 O 8 = 16.07 m 2 *g -1 ). Furthermore, the particle size distribution measured as a function of the thermal treatment done shows changes on the powder size related to the changes observed in the uranium oxide stoichiometry. (authors)

  1. Pilot demonstration of cerium oxide coated anodes. Final report, April 1990--October 1992

    Energy Technology Data Exchange (ETDEWEB)

    Gregg, J.S.; Frederick, M.S.; Shingler, M.J.; Alcorn, T.R.

    1992-10-01

    Cu cermet anodes were tested for 213 to 614 hours with an in-situ deposited CEROX coating in a pilot cell operated by Reynolds Manufacturing Technology Laboratory. At high bath ratio ({approximately}1.5) and low current density (0.5 A/cm{sup 2}), a {ge}1 mm thick dense CEROX coating was deposited on the anodes. At lower bath ratios and higher current density, the CEROX coating was thinner and less dense, but no change in corrosion rate was noted. Regions of low current density on the anodes and sides adjacent to the carbon anode sometimes had thin or absent CEROX coatings. Problems with cracking and oxidation of the cermet substrates led to higher corrosion rates in a pilot cell than would be anticipated from lab scale results.

  2. Final Technical Report, Oct 2004 - Nov. 2006, High Performance Flexible Reversible Solid Oxide Fuel Cell

    Energy Technology Data Exchange (ETDEWEB)

    Guan, Jie; Minh, Nguyen

    2007-02-21

    This report summarizes the work performed for the program entitled “High Performance Flexible Reversible Solid Oxide Fuel Cell” under Cooperative Agreement DE-FC36-04GO14351 for the U. S. Department of Energy. The overall objective of this project is to demonstrate a single modular stack that generates electricity from a variety of fuels (hydrogen and other fuels such as biomass, distributed natural gas, etc.) and when operated in the reverse mode, produces hydrogen from steam. This project has evaluated and selected baseline cell materials, developed a set of materials for oxygen and hydrogen electrodes, and optimized electrode microstructures for reversible solid oxide fuel cells (RSOFCs); and demonstrated the feasibility and operation of a RSOFC multi-cell stack. A 10-cell reversible SOFC stack was operated over 1000 hours alternating between fuel cell (with hydrogen and methane as fuel) and steam electrolysis modes. The stack ran very successfully with high power density of 480 mW/cm2 at 0.7V and 80% fuel utilization in fuel cell mode and >6 SLPM hydrogen production in steam electrolysis mode using about 1.1 kW electrical power. The hydrogen generation is equivalent to a specific capability of 2.59 Nm3/m2 with electrical energy demand of 3 kWh/Nm3. The performance stability in electrolysis mode was improved vastly during the program with a degradation rate reduction from 8000 to 200 mohm-cm2/1000 hrs. This was accomplished by increasing the activity and improving microstructure of the oxygen electrode. Both cost estimate and technology assessment were conducted. Besides the flexibility running under both fuel cell mode and electrolysis mode, the reversible SOFC system has the potentials for low cost and high efficient hydrogen production through steam electrolysis. The cost for hydrogen production at large scale was estimated at ~$2.7/kg H2, comparing favorably with other electrolysis techology.

  3. Optimisation of Copper Oxide Impregnation on Carbonised Oil Palm Empty Fruit Bunch for Nitric Oxide Removal using Response Surface Methodology

    Science.gov (United States)

    Ahmad, Norhidayah; Yong, Sing Hung; Ibrahim, Naimah; Ali, Umi Fazara Md; Ridwan, Fahmi Muhammad; Ahmad, Razi

    2018-03-01

    Oil palm empty fruit bunch (EFB) was successfully modified with phosphoric acid hydration followed by impregnation with copper oxide (CuO) to synthesize CuO modified catalytic carbon (CuO/EFBC) for low-temperature removal of nitric oxide (NO) from gas streams. CuO impregnation was optimised through response surface methodology (RSM) using Box-Behnken Design (BBD) in terms of metal loading (5-20%), sintering temperature (200-800˚C) and sintering time (2-6 hours). The model response for the variables was NO adsorption capacity, which was obtained from an up-flow column adsorption experiment with 100 mL/min flow of 500 ppm NO/He at different operating conditions. The optimum operating variables suggested by the model were 20% metal loading, 200˚C sintering temperature and 6 hours sintering time. A good agreement (R2 = 0.9625) was achieved between the experimental data and model prediction. ANOVA analysis indicated that the model terms (metal loading and sintering temperature) are significant (Prob.>F less than 0.05).

  4. Optimisation of Copper Oxide Impregnation on Carbonised Oil Palm Empty Fruit Bunch for Nitric Oxide Removal using Response Surface Methodology

    Directory of Open Access Journals (Sweden)

    Ahmad Norhidayah

    2018-01-01

    Full Text Available Oil palm empty fruit bunch (EFB was successfully modified with phosphoric acid hydration followed by impregnation with copper oxide (CuO to synthesize CuO modified catalytic carbon (CuO/EFBC for low-temperature removal of nitric oxide (NO from gas streams. CuO impregnation was optimised through response surface methodology (RSM using Box-Behnken Design (BBD in terms of metal loading (5-20%, sintering temperature (200-800˚C and sintering time (2-6 hours. The model response for the variables was NO adsorption capacity, which was obtained from an up-flow column adsorption experiment with 100 mL/min flow of 500 ppm NO/He at different operating conditions. The optimum operating variables suggested by the model were 20% metal loading, 200˚C sintering temperature and 6 hours sintering time. A good agreement (R2 = 0.9625 was achieved between the experimental data and model prediction. ANOVA analysis indicated that the model terms (metal loading and sintering temperature are significant (Prob.>F less than 0.05.

  5. UO{sub 2} surface oxidation by mixtures of water vapor and hydrogen as a function of temperature

    Energy Technology Data Exchange (ETDEWEB)

    Espriu-Gascon, A., E-mail: alexandra.espriu@upc.edu [Department of Chemical Engineering, Universitat Politècnica Catalunya-Barcelona Tech, Diagonal 647, E-08028 Barcelona (Spain); Llorca, J.; Domínguez, M. [Institut de Tècniques Energètiques (INTE), Universitat Politècnica Catalunya-Barcelona Tech, Diagonal 647, E-08028 Barcelona (Spain); Centre for Research in NanoEngineering (CRNE), Universitat Politècnica Catalunya-Barcelona Tech, Diagonal 647, E-08028 Barcelona (Spain); Giménez, J.; Casas, I. [Department of Chemical Engineering, Universitat Politècnica Catalunya-Barcelona Tech, Diagonal 647, E-08028 Barcelona (Spain); Pablo, J. de [Department of Chemical Engineering, Universitat Politècnica Catalunya-Barcelona Tech, Diagonal 647, E-08028 Barcelona (Spain); Fundació CTM Centre Tecnològic, Plaça de la Ciència 2, E-08243 Manresa (Spain)

    2015-12-15

    In the present work, X-Ray Photoelectron Spectroscopy (XPS) was used to study the effect of water vapor on the UO{sub 2} surface as a function of temperature. The experiments were performed in situ inside a high pressure chamber attached to the XPS instrument. UO{sub 2} samples were put in contact with either hydrogen or argon streams, saturated with water at room temperature, and the sample surface evolution was analyzed by XPS. In the case of the water vapor/argon experiments, one experiment at 350 °C was performed and, in the case of the water vapor/hydrogen experiments, the temperatures used inside the reactor were 60, 120, 200 and 350 °C. On one hand, in presence of argon, the results obtained showed that the water vapor in the argon stream oxidized 93% of the U(IV) in the sample surface. On the other hand, the degree of UO{sub 2} surface oxidation showed a different dependence on the temperature in the experiments performed in the presence of hydrogen: the maximum surface oxidation occurred at 120 °C, where 65.4% of U(IV) in the sample surface was oxidized, while at higher temperatures, the surface oxidation decreased. This observation is attributed to the increase of hydrogen reducing effect when temperature increases which prevents part of the oxidation of the UO{sub 2} surface by the water vapor. - Highlights: • UO{sub 2} surface has been oxidized by water vapor in an argon stream at 350 °C. • H{sub 2} reduced more uranium oxidation produced by water at 350 °C when compared to Ar. • In H{sub 2} presence, the uranium oxidation produced by water depends on the temperature.

  6. Suppression of Magnetoresistance in Thin WTe2 Flakes by Surface Oxidation.

    Science.gov (United States)

    Woods, John M; Shen, Jie; Kumaravadivel, Piranavan; Pang, Yuan; Xie, Yujun; Pan, Grace A; Li, Min; Altman, Eric I; Lu, Li; Cha, Judy J

    2017-07-12

    Recent renewed interest in layered transition metal dichalcogenides stems from the exotic electronic phases predicted and observed in the single- and few-layer limit. Realizing these electronic phases requires preserving the desired transport properties down to a monolayer, which is challenging. Surface oxides are known to impart Fermi level pinning or degrade the mobility on a number of different systems, including transition metal dichalcogenides and black phosphorus. Semimetallic WTe 2 exhibits large magnetoresistance due to electron-hole compensation; thus, Fermi level pinning in thin WTe 2 flakes could break the electron-hole balance and suppress the large magnetoresistance. We show that WTe 2 develops an ∼2 nm thick amorphous surface oxide, which shifts the Fermi level by ∼300 meV at the WTe 2 surface. We also observe a dramatic suppression of the magnetoresistance for thin flakes. However, due to the semimetallic nature of WTe 2 , the effects of Fermi level pinning are well screened and are not the dominant cause for the suppression of magnetoresistance, supported by fitting a two-band model to the transport data, which showed the electron and hole carrier densities are balanced down to ∼13 nm. However, the fitting shows a significant decrease of the mobilities of both electrons and holes. We attribute this to the disorder introduced by the amorphous surface oxide layer. Thus, the decrease of mobility is the dominant factor in the suppression of magnetoresistance for thin WTe 2 flakes. Our study highlights the critical need to investigate often unanticipated and sometimes unavoidable extrinsic surface effects on the transport properties of layered dichalcogenides and other 2D materials.

  7. Molecular simulation insights on the in vacuo adsorption of amino acids on graphene oxide surfaces with varying surface oxygen densities

    Energy Technology Data Exchange (ETDEWEB)

    Rahmani, Farzin; Nouranian, Sasan, E-mail: sasan@olemiss.edu; Mahdavi, Mina [University of Mississippi, Department of Chemical Engineering (United States); Al-Ostaz, Ahmed [University of Mississippi, Department of Civil Engineering (United States)

    2016-11-15

    In this fundamental study, a series of molecular dynamics simulations were performed in vacuo to investigate the energetics and select geometries of 20 standard amino acids (AAs) on pristine graphene (PG) and graphene oxide (GO) surfaces as a function of graphene surface oxygen density. These interactions are of key interest to graphene/biomolecular systems. Our results indicate that aromatic AAs exhibit the strongest total interactions with the PG surfaces due to π-π stacking. Tryptophan (Trp) has the highest aromaticity due to its indole side chain and, hence, has the strongest interaction among all AAs (−16.66 kcal/mol). Aliphatic, polar, and charged AAs show various levels of affinity to the PG sheets depending on the strength of their side chain hydrophobic interactions. For example, arginine (Arg) with its guanidinium side chain exhibits the strongest interaction with the PG sheets (−13.81 kcal/mol) following aromatic AAs. Also, glycine (Gly; a polar AA) has the weakest interaction with the PG sheets (−7.29 kcal/mol). When oxygen-containing functional groups are added to the graphene sheets, the π-π stacking in aromatic AAs becomes disrupted and perfect parallelism of the aromatic rings is lost. Moreover, hydrogen bonding and/or electrostatic interactions become more pronounced. Charged AAs exhibit the strongest interactions with the GO surfaces. In general, the AA-GO interactions increase with increasing surface oxygen density, and the effect is more pronounced at higher O/C ratios. This study provides a quantitative measure of AA-graphene interactions for the design and tuning of biomolecular systems suitable for biosensing, drug delivery, and gene delivery applications.

  8. Hydrophobic and optical characteristics of graphene and graphene oxide films transferred onto functionalized silica particles deposited glass surface

    Science.gov (United States)

    Yilbas, B. S.; Ibrahim, A.; Ali, H.; Khaled, M.; Laoui, T.

    2018-06-01

    Hydrophobic and optical transmittance characteristics of the functionalized silica particles on the glass surface prior and after transfer of graphene and graphene oxide films on the surface are examined. Nano-size silica particles are synthesized and functionalized via chemical grafting and deposited onto a glass surface. Graphene film, grown on copper substrate, was transferred onto the functionalized silica particles surface through direct fishing method. Graphene oxide layer was deposited onto the functionalized silica particles surface via spin coating technique. Morphological, hydrophobic, and optical characteristics of the functionalized silica particles deposited surface prior and after graphene and graphene oxide films transfer are examined using the analytical tools. It is found that the functionalized silica particles are agglomerated at the surface forming packed structures with few micro/nano size pores. This arrangement gives rise to water droplet contact angle and contact angle hysteresis in the order of 163° and 2°, respectively, and remains almost uniform over the entire surface. Transferring graphene and depositing graphene oxide films over the functionalized silica particles surface lowers the water droplet contact angle slightly (157-160°) and increases the contact angle hysteresis (4°). The addition of the graphene and graphene oxide films onto the surface of the deposited functionalized silica particles improves the optical transmittance.

  9. Vanadium and molybdenum oxide thin films on Au(111). Growth and surface characterization

    Energy Technology Data Exchange (ETDEWEB)

    Guimond, Sebastien

    2009-06-04

    The growth and the surface structure of well-ordered V{sub 2}O{sub 3}, V{sub 2}O{sub 5} and MoO{sub 3} thin films have been investigated in this work. These films are seen as model systems for the study of elementary reaction steps occurring on vanadia and molybdena-based selective oxidation catalysts. It is shown that well-ordered V{sub 2}O{sub 3}(0001) thin films can be prepared on Au(111). The films are terminated by vanadyl groups which are not part of the V{sub 2}O{sub 3} bulk structure. Electron irradiation specifically removes the oxygen atoms of the vanadyl groups, resulting in a V-terminated surface. The fraction of removed vanadyl groups is controlled by the electron dose. Such surfaces constitute interesting models to probe the relative role of both the vanadyl groups and the undercoordinated V ions at the surface of vanadia catalysts. The growth of well-ordered V{sub 2}O{sub 5}(001) and MoO{sub 3}(010) thin films containing few point defects is reported here for the first time. These films were grown on Au(111) by oxidation under 50 mbar O{sub 2} in a dedicated high pressure cell. Contrary to some of the results found in the literature, the films are not easily reduced by annealing in UHV. This evidences the contribution of radiation and surface contamination in some of the reported thermal reduction experiments. The growth of ultrathin V{sub 2}O{sub 5} and MoO{sub 3} layers on Au(111) results in formation of interface-specific monolayer structures. These layers are coincidence lattices and they do not correspond to any known oxide bulk structure. They are assumed to be stabilized by electronic interaction with Au(111). Their formation illustrates the polymorphic character and the ease of coordination units rearrangement which are characteristic of both oxides. The formation of a second layer apparently precedes the growth of bulk-like crystallites for both oxides. This observation is at odds with a common assumption that crystals nucleate as soon as a

  10. Vanadium and molybdenum oxide thin films on Au(111). Growth and surface characterization

    International Nuclear Information System (INIS)

    Guimond, Sebastien

    2009-01-01

    The growth and the surface structure of well-ordered V 2 O 3 , V 2 O 5 and MoO 3 thin films have been investigated in this work. These films are seen as model systems for the study of elementary reaction steps occurring on vanadia and molybdena-based selective oxidation catalysts. It is shown that well-ordered V 2 O 3 (0001) thin films can be prepared on Au(111). The films are terminated by vanadyl groups which are not part of the V 2 O 3 bulk structure. Electron irradiation specifically removes the oxygen atoms of the vanadyl groups, resulting in a V-terminated surface. The fraction of removed vanadyl groups is controlled by the electron dose. Such surfaces constitute interesting models to probe the relative role of both the vanadyl groups and the undercoordinated V ions at the surface of vanadia catalysts. The growth of well-ordered V 2 O 5 (001) and MoO 3 (010) thin films containing few point defects is reported here for the first time. These films were grown on Au(111) by oxidation under 50 mbar O 2 in a dedicated high pressure cell. Contrary to some of the results found in the literature, the films are not easily reduced by annealing in UHV. This evidences the contribution of radiation and surface contamination in some of the reported thermal reduction experiments. The growth of ultrathin V 2 O 5 and MoO 3 layers on Au(111) results in formation of interface-specific monolayer structures. These layers are coincidence lattices and they do not correspond to any known oxide bulk structure. They are assumed to be stabilized by electronic interaction with Au(111). Their formation illustrates the polymorphic character and the ease of coordination units rearrangement which are characteristic of both oxides. The formation of a second layer apparently precedes the growth of bulk-like crystallites for both oxides. This observation is at odds with a common assumption that crystals nucleate as soon as a monolayer is formed dur-ing the preparation of supported vanadia

  11. 12th International workshop on Inelastic Ion-Surface Collisions.Final report

    International Nuclear Information System (INIS)

    Rabalais, J.W.; Nordlander, P.

    1999-01-01

    The twelfth international workshop on inelastic ion surface collisions was held at the Bahia Mar Resort and Conference Center on South Padre Island, Texas (USA) from January 24-29, 1999. The workshop brought together most of the leading researchers from around the world to focus on both the theoretical and experimental aspects of particle - surface interactions and related topics

  12. SUPERCRITICAL WATER PARTIAL OXIDATION PHASE I - PILOT-SCALE TESTING / FEASIBILITY STUDIES FINAL REPORT

    Energy Technology Data Exchange (ETDEWEB)

    SPRITZER,M; HONG,G

    2005-01-01

    Under Cooperative Agreement No. DE-FC36-00GO10529 for the Department of Energy, General Atomics (GA) is developing Supercritical Water Partial Oxidation (SWPO) as a means of producing hydrogen from low-grade biomass and other waste feeds. The Phase I Pilot-scale Testing/Feasibility Studies have been successfully completed and the results of that effort are described in this report. The Key potential advantages of the SWPO process is the use of partial oxidation in-situ to rapidly heat the gasification medium, resulting in less char formation and improved hydrogen yield. Another major advantage is that the high-pressure, high-density aqueous environment is ideal for reaching and gasifying organics of all types. The high water content of the medium encourages formation of hydrogen and hydrogen-rich products and is especially compatible with high water content feeds such as biomass materials. The high water content of the medium is also effective for gasification of hydrogen-poor materials such as coal. A versatile pilot plant for exploring gasification in supercritical water has been established at GA's facilities in San Diego. The Phase I testing of the SWPO process with wood and ethanol mixtures demonstrated gasification efficiencies of about 90%, comparable to those found in prior laboratory-scale SCW gasification work carreid out at the University of Hawaii at Manoa (UHM) as well as other biomass gasification experience with conventional gasifiers. As in the prior work at UHM, a significant amount of the hydrogen found in the gas phase products is derived from the water/steam matrix. The studies at UHM utilized an indirectly heated gasifier with an acitvated carbon catalyst. In contrast, the GA studies utilized a directly heated gasifier without catalyst, plus a surrogate waste fuel. Attainment of comparable gasification efficiencies without catalysis is an important advancement for the GA process, and opens the way for efficient hydrogen production from low

  13. Modification of the surface energy in isovalent nano-oxides prepared by chemical synthesis

    International Nuclear Information System (INIS)

    Miagava, J.; Gouvea, D.

    2011-01-01

    The phase stability of the nano-oxides depends on the bulk energy but it also depends on the surface energy. The difference of surface energy of the rutile and anatase phases result in a change of phase stability: TiO_2 without additives is stable as anatase when particles have nanometric size and a high specific surface area whereas rutile is stable when particles are larger. But this stability can be modified through the use of additives. Different studies demonstrate that additives segregate on the particle surface modifying the surface energy. In this work (1-X)TiO_2-XSnO_2 powders were synthesized by the polymeric precursor method with concentrations of 0 ≤ X ≤ 1. The specific surface area measurements demonstrate that the modification of the composition change the specific surface areas and it reaches a maximum at X = 0.005. The Raman spectroscopy demonstrates that a modification on the stability of the TiO_2 polymorphs occurs and the phase rutile is stabilized when SnO_2 is added to the nano powders.(author)

  14. Enhanced oxygen reduction activity on surface-decorated perovskite thin films for solid oxide fuel cells

    KAUST Repository

    Mutoro, Eva; Crumlin, Ethan J.; Biegalski, Michael D.; Christen, Hans M.; Shao-Horn, Yang

    2011-01-01

    Surface-decoration of perovskites can strongly affect the oxygen reduction activity, and therefore is a new and promising approach to improve SOFC cathode materials. In this study, we demonstrate that a small amount of secondary phase on a (001) La 0.8Sr 0.2CoO 3-δ (LSC) surface can either significantly activate or passivate the electrode. LSC (001) microelectrodes prepared by pulsed laser deposition on a (001)-oriented yttria-stabilized zirconia (YSZ) substrate were decorated with La-, Co-, and Sr-(hydr)oxides/carbonates. "Sr"-decoration with nanoparticle coverage in the range from 50% to 80% of the LSC surface enhanced the surface exchange coefficient, k q, by an order of magnitude while "La"- decoration and "Co"-decoration led to no change and reduction in k q, respectively. Although the physical origin for the enhancement is not fully understood, results from atomic force microscopy, X-ray diffraction, and X-ray photoelectron spectroscopy suggest that the observed k q enhancement for "Sr"-decorated surfaces can be attributed largely to catalytically active interface regions between surface Sr-enriched particles and the LSC surface. © 2011 The Royal Society of Chemistry.

  15. Plasma Electrolytic Oxidation of Titanium Implant Surfaces: Microgroove-Structures Improve Cellular Adhesion and Viability.

    Science.gov (United States)

    Hartjen, Philip; Hoffmann, Alexia; Henningsen, Anders; Barbeck, Mike; Kopp, Alexander; Kluwe, Lan; Precht, Clarissa; Quatela, Olivia; Gaudin, Robert; Heiland, Max; Friedrich, Reinhard E; Knipfer, Christian; Grubeanu, Daniel; Smeets, Ralf; Jung, Ole

    2018-01-01

    Plasma electrolytic oxidation (PEO) is an established electrochemical treatment technique that can be used for surface modifications of metal implants. In this study we to treated titanium implants with PEO, to examine the resulting microstructure and to characterize adhesion and viability of cells on the treated surfaces. Our aim was to identify an optimal surface-modification for titanium implants in order to improve soft-tissue integration. Three surface-variants were generated on titanium alloy Ti6Al4V by PEO-treatment. The elemental composition and the microstructures of the surfaces were characterized using energy dispersive X-ray spectroscopy, scanning electron microscopy and profilometry. In vitro cytocompatibility of the surfaces was assessed by seeding L929 fibroblasts onto them and measuring the adhesion, viability and cytotoxicity of cells by means of live/dead staining, XTT assay and LDH assay. Electron microscopy and profilometry revealed that the PEO-surface variants differed largely in microstructure/topography, porosity and roughness from the untreated control material as well as from one another. Roughness was generally increased after PEO-treatment. In vitro, PEO-treatment led to improved cellular adhesion and viability of cells accompanied by decreased cytotoxicity. PEO-treatment provides a promising strategy to improve the integration of titanium implants with surrounding tissues. Copyright© 2018, International Institute of Anticancer Research (Dr. George J. Delinasios), All rights reserved.

  16. Surface modification and characterization of indium-tin oxide for organic light-emitting devices.

    Science.gov (United States)

    Zhong, Z Y; Jiang, Y D

    2006-10-15

    In this work, we used different treatment methods (ultrasonic degreasing, hydrochloric acid treatment, and oxygen plasma) to modify the surfaces of indium-tin oxide (ITO) substrates for organic light-emitting devices. The surface properties of treated ITO substrates were studied by atomic force microscopy (AFM), X-ray photoelectron spectroscopy (XPS), sheet resistance, contact angle, and surface energy measurements. Experimental results show that the ITO surface properties are closely related to the treatment methods, and the oxygen plasma is more efficient than the other treatments since it brings about smoother surfaces, lower sheet resistance, higher work function, and higher surface energy and polarity of the ITO substrate. Moreover, polymer light-emitting electrochemical cells (PLECs) with differently treated ITO substrates as device electrodes were fabricated and characterized. It is found that surface treatments of ITO substrates have a certain degree of influence upon the injection current, brightness, and efficiency, but hardly upon the turn-on voltages of current injection and light emission, which are in agreement with the measured optical energy gap of the electroluminescent polymer. The oxygen plasma treatment on the ITO substrate yields the best performance of PLECs, due to the improvement of interface formation and electrical contact of the ITO substrate with the polymer blend in the PLECs.

  17. A summary of the sources of input parameter values for the Waste Isolation Pilot Plant final porosity surface calculations

    International Nuclear Information System (INIS)

    Butcher, B.M.

    1997-08-01

    A summary of the input parameter values used in final predictions of closure and waste densification in the Waste Isolation Pilot Plant disposal room is presented, along with supporting references. These predictions are referred to as the final porosity surface data and will be used for WIPP performance calculations supporting the Compliance Certification Application to be submitted to the U.S. Environmental Protection Agency. The report includes tables and list all of the input parameter values, references citing their source, and in some cases references to more complete descriptions of considerations leading to the selection of values

  18. A summary of the sources of input parameter values for the Waste Isolation Pilot Plant final porosity surface calculations

    Energy Technology Data Exchange (ETDEWEB)

    Butcher, B.M.

    1997-08-01

    A summary of the input parameter values used in final predictions of closure and waste densification in the Waste Isolation Pilot Plant disposal room is presented, along with supporting references. These predictions are referred to as the final porosity surface data and will be used for WIPP performance calculations supporting the Compliance Certification Application to be submitted to the U.S. Environmental Protection Agency. The report includes tables and list all of the input parameter values, references citing their source, and in some cases references to more complete descriptions of considerations leading to the selection of values.

  19. Final Report: Optimal Model Complexity in Geological Carbon Sequestration: A Response Surface Uncertainty Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Ye [Univ. of Wyoming, Laramie, WY (United States)

    2018-01-17

    The critical component of a risk assessment study in evaluating GCS is an analysis of uncertainty in CO2 modeling. In such analyses, direct numerical simulation of CO2 flow and leakage requires many time-consuming model runs. Alternatively, analytical methods have been developed which allow fast and efficient estimation of CO2 storage and leakage, although restrictive assumptions on formation rock and fluid properties are employed. In this study, an intermediate approach is proposed based on the Design of Experiment and Response Surface methodology, which consists of using a limited number of numerical simulations to estimate a prediction outcome as a combination of the most influential uncertain site properties. The methodology can be implemented within a Monte Carlo framework to efficiently assess parameter and prediction uncertainty while honoring the accuracy of numerical simulations. The choice of the uncertain properties is flexible and can include geologic parameters that influence reservoir heterogeneity, engineering parameters that influence gas trapping and migration, and reactive parameters that influence the extent of fluid/rock reactions. The method was tested and verified on modeling long-term CO2 flow, non-isothermal heat transport, and CO2 dissolution storage by coupling two-phase flow with explicit miscibility calculation using an accurate equation of state that gives rise to convective mixing of formation brine variably saturated with CO2. All simulations were performed using three-dimensional high-resolution models including a target deep saline aquifer, overlying caprock, and a shallow aquifer. To evaluate the uncertainty in representing reservoir permeability, sediment hierarchy of a heterogeneous digital stratigraphy was mapped to create multiple irregularly shape stratigraphic models of decreasing geologic resolutions: heterogeneous (reference), lithofacies, depositional environment, and a (homogeneous) geologic formation. To ensure model

  20. Spectra investigation on surface characteristics of graphene oxide nanosheets treated with tartaric, malic and oxalic acids.

    Science.gov (United States)

    Teng, Xiyao; Yan, Manqing; Bi, Hong

    2014-01-24

    The surface characteristics of graphene oxide nanosheets (GO) treated respectively with tartaric acid, malic acid and oxalic acid, have been investigated by mainly using optical spectroscopic methods including Fourier transform infrared spectroscopy (FT-IR), Ultraviolet-visible (UV-Vis) absorption and Raman spectroscopy. Additionally, the electrochemical property of the products has also been studied. The data revealed that oxygen-containing groups such as OH, COOH and CO on the GO surface have been almost removed and thus reduced graphene oxide nanosheets (RGN) were obtained. Interestingly, the number of sp(2) domains of RGN increases as treated by tartaric acidsurface conjugated degree alteration. We claim that the difference i