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Sample records for surface oxygen groups

  1. Tunable Oxygen Functional Groups as Electrocatalysts on Graphite Felt Surfaces for All-Vanadium Flow Batteries

    Energy Technology Data Exchange (ETDEWEB)

    Estevez, Luis [Pacific Northwest National Laboratory, 902 Battelle Boulevard, P.O. Box 999 Richland WA 99352 USA; Reed, David [Pacific Northwest National Laboratory, 902 Battelle Boulevard, P.O. Box 999 Richland WA 99352 USA; Nie, Zimin [Pacific Northwest National Laboratory, 902 Battelle Boulevard, P.O. Box 999 Richland WA 99352 USA; Schwarz, Ashleigh M. [Pacific Northwest National Laboratory, 902 Battelle Boulevard, P.O. Box 999 Richland WA 99352 USA; Nandasiri, Manjula I. [Pacific Northwest National Laboratory, 902 Battelle Boulevard, P.O. Box 999 Richland WA 99352 USA; Kizewski, James P. [Pacific Northwest National Laboratory, 902 Battelle Boulevard, P.O. Box 999 Richland WA 99352 USA; Wang, Wei [Pacific Northwest National Laboratory, 902 Battelle Boulevard, P.O. Box 999 Richland WA 99352 USA; Thomsen, Edwin [Pacific Northwest National Laboratory, 902 Battelle Boulevard, P.O. Box 999 Richland WA 99352 USA; Liu, Jun [Pacific Northwest National Laboratory, 902 Battelle Boulevard, P.O. Box 999 Richland WA 99352 USA; Zhang, Ji-Guang [Pacific Northwest National Laboratory, 902 Battelle Boulevard, P.O. Box 999 Richland WA 99352 USA; Sprenkle, Vincent [Pacific Northwest National Laboratory, 902 Battelle Boulevard, P.O. Box 999 Richland WA 99352 USA; Li, Bin [Pacific Northwest National Laboratory, 902 Battelle Boulevard, P.O. Box 999 Richland WA 99352 USA

    2016-05-17

    We decorated the surfaces of graphite felts with some oxygen-containing functional groups, such as C-OH, O=C and HO-C=O. And the mole ratios and amounts of these functional groups were effectively adjusted on the graphite surface by a particular method. The catalytic effects of amounts and mole ratio of different kinds of functional groups on VRB electrode performances were investigated in detail.

  2. Effect of the surface oxygen groups on methane adsorption on coals

    Energy Technology Data Exchange (ETDEWEB)

    Hao Shixiong [Department of Chemical Engineering, Sichuan University, Chengdu 610065 (China); Department of Chemical Engineering, Sichuan University of Science and Engineering, Zigong 643000 (China); Wen Jie [Department of Chemical Engineering, Sichuan University, Chengdu 610065 (China); Yu Xiaopeng [Department of Chemical Engineering, Sichuan University, Chengdu 610065 (China); Department of Chemical Engineering, Sichuan University of Science and Engineering, Zigong 643000 (China); Chu Wei, E-mail: chuwei1965_scu@yahoo.com [Department of Chemical Engineering, Sichuan University, Chengdu 610065 (China)

    2013-01-01

    Highlights: Black-Right-Pointing-Pointer We modified one coal with H{sub 2}O{sub 2}, (NH{sub 4}){sub 2}S{sub 2}O{sub 8} and HNO{sub 3} respectively, to prepare coal samples with different surface properties. Black-Right-Pointing-Pointer The oxygen groups on coal surface were characterized by XPS. Black-Right-Pointing-Pointer The textures of the coal samples were investigated by N{sub 2} adsorption at 77 K. Black-Right-Pointing-Pointer The adsorption behaviors were measured by volumetric method. Black-Right-Pointing-Pointer There was a negative correlation between methane saturated adsorption capacity and the O{sub total}/C{sub total}. - Abstract: To investigate the influence of surface oxygen groups on methane adsorption on coals, one bituminous coal was modified with H{sub 2}O{sub 2}, (NH{sub 4}){sub 2}S{sub 2}O{sub 8} and HNO{sub 3} respectively, to prepare coal samples with different surface properties. The oxygen groups on coal surface were characterized by X-ray photoelectron spectroscopy (XPS). The textures of the coal samples were investigated by N{sub 2} adsorption at 77 K. Their surface morphologies were analyzed by scanning electron microscopy (SEM). The methane adsorption behaviors of these coal samples were measured at 303 K in pressure range of 0-5.3 MPa by volumetric method. The adsorption data of methane were fitted to the Langmuir model and Dubinin-Astakhov (D-A) model. The fitting results showed that the D-A model fitted the isotherm data better than the Langmuir model. It was observed that there was, in general, a positive correlation between the methane saturated adsorption capacity and the micropore volume of coals while a negative correlation between methane saturated adsorption capacity and the O{sub total}/C{sub total}. The methane adsorption capacity was determined by the coal surface chemistry when the microporosity parameters of two samples were similar. Coal with a higher amount of oxygen surface groups, and consequently with a less

  3. Tunable Oxygen Functional Groups as Electrocatalysts on Graphite Felt Surfaces for All-Vanadium Flow Batteries.

    Science.gov (United States)

    Estevez, Luis; Reed, David; Nie, Zimin; Schwarz, Ashleigh M; Nandasiri, Manjula I; Kizewski, James P; Wang, Wei; Thomsen, Edwin; Liu, Jun; Zhang, Ji-Guang; Sprenkle, Vincent; Li, Bin

    2016-06-22

    A dual oxidative approach using O2 plasma followed by treatment with H2 O2 to impart oxygen functional groups onto the surface of a graphite felt electrode. When used as electrodes for an all-vanadium redox flow battery (VRB) system, the energy efficiency of the cell is enhanced by 8.2 % at a current density of 150 mA cm(-2) compared with one oxidized by thermal treatment in air. More importantly, by varying the oxidative techniques, the amount and type of oxygen groups was tailored and their effects were elucidated. It was found that O-C=O groups improve the cells performance whereas the C-O and C=O groups degrade it. The reason for the increased performance was found to be a reduction in the cell overpotential after functionalization of the graphite felt electrode. This work reveals a route for functionalizing carbon electrodes to improve the performance of VRB cells. This approach can lower the cost of VRB cells and pave the way for more commercially viable stationary energy storage systems that can be used for intermittent renewable energy storage. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. The influence of surface oxygen and hydroxyl groups on the dehydrogenation of ethylene, acetic acid and hydrogenated vinyl acetate on pure Pd(1 0 0): A DFT study

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Yanping [Key Laboratory for Green Chemical Technology of Ministry of Education, R& D Center for Petrochemical Technology, Tianjin University, Tianjin (China); Collaborative Innovation Center of Chemical Science and Engineering, Tianjin 300072 (China); Dong, Xiuqin [Key Laboratory for Green Chemical Technology of Ministry of Education, R& D Center for Petrochemical Technology, Tianjin University, Tianjin (China); Yu, Yingzhe, E-mail: yzhyu@tju.edu.cn [Key Laboratory for Green Chemical Technology of Ministry of Education, R& D Center for Petrochemical Technology, Tianjin University, Tianjin (China); Zhang, Minhua, E-mail: mhzhangtj@163.com [Key Laboratory for Green Chemical Technology of Ministry of Education, R& D Center for Petrochemical Technology, Tianjin University, Tianjin (China)

    2016-12-01

    Highlights: • All dehydrogenation reactions in vinyl acetate synthesis on Pd(1 0 0) were studied. • The energy barriers of the transition state of the three reactions were calculated. • The influence of surface Os and OHs on all dehydrogenation actions was discussed. - Abstract: On the basis of a Langmuir–Hinshelwood-type mechanism, the dehydrogenation of ethylene, acetic acid and hydrogenated vinyl acetate (VAH) on pure Pd(1 0 0) with surface oxygen atoms (Os) and hydroxyl groups (OHs) was studied with density functional theory (DFT) method. Our calculation results show that both Os and OHs can consistently reduce the activation energies of dehydrogenation of ethylene, acetic acid and VAH to some degree with only one exception that OHs somehow increase the activation energy of VAH. Based on Langmuir–Hinshelwood mechanism, the three dehydrogenation reactions in presence of surface Os and OHs are almost consistently favored, compared with the corresponding processes on clean Pd(1 0 0) surfaces, and thus a Langmuir–Hinshelwood-type mechanism may not be excluded beforehand when investigating the microscopic performance of the oxygen-assisted vinyl acetate synthesis on Pd(1 0 0) catalysts.

  5. Towards a highly-efficient fuel-cell catalyst: optimization of Pt particle size, supports and surface-oxygen group concentration.

    Science.gov (United States)

    Muthuswamy, Navaneethan; de la Fuente, Jose Luis Gomez; Ochal, Piotr; Giri, Rajiv; Raaen, Steinar; Sunde, Svein; Rønning, Magnus; Chen, De

    2013-03-21

    In the present work, methanol oxidation reaction was investigated on Pt particles of various diameters on carbon-nanofibers and carbon-black supports with different surface-oxygen concentrations, aiming for a better understanding of the relationship between the catalyst properties and the electrochemical performance. The pre-synthesized Pt nanoparticles in ethylene glycol, prepared by the polyol method without using any capping agents, were deposited on different carbon supports. Removal of oxygen-groups from the carbon supports had profound positive effects on not only the Pt dispersion but also the specific activity. The edge structures on the stacked graphene sheets in the platelet carbon-nanofibers provided a strong interaction with the Pt particles, significantly reconstructing them in the process. Such reconstruction resulted in the formation of more plated Pt particles on the CNF than on the carbon-black and exposure of more Pt atoms with relatively high co-ordination numbers, and thereby higher specific activity. Owing to the combined advantages of optimum Pt particle diameter, an oxygen-free surface and the unique properties of CNFs, Pt supported on heat-treated CNFs exhibited a higher mass activity twice of that of its commercial counterpart.

  6. Atomic geometry and STM simulations of a TiO.sub.2./sub.(110) surface upon formation of an oxygen vacancy and hydroxyl group

    Czech Academy of Sciences Publication Activity Database

    Mutombo, Pingo; Kiss, A.M.; Berkó, A.; Cháb, Vladimír

    2008-01-01

    Roč. 16, - (2008), 025007/1-025007/9 ISSN 0965-0393 R&D Projects: GA AV ČR IAA1010413 Grant - others:MŠMT(CZ) 9/2004 KONTAKT Institutional research plan: CEZ:AV0Z10100521 Source of funding: V - iné verejné zdroje Keywords : vacance * Oxygen * OH group * STM Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.388, year: 2008

  7. Interaction of oxygen with zirconia surface

    International Nuclear Information System (INIS)

    Ivankiv, L.I.; Ketsman, I.V.

    1999-01-01

    The influence of surface heat treatment, electron (50-800) eV irradiation and UV (180-300) nM illumination of adsorption system on the state of oxygen adsorbed on zirconia surface have been investigated. On the basis of experimental results obtained by investigation of photon emission accompanying oxygen adsorption (AL) and TPD data existence of adsorption sites on the surface is suggested on which irreversible dissociative adsorption of oxygen occurs. These very sites are associated with emission processes Conclusion is made that the only type of adsorption sites connected with anion vacancy is present on zirconia surface and this is its charge state that determines the state of adsorbed oxygen. One of the important mechanisms by which the electron and UV photon excitation affects the adsorption interaction is the change of the charge state of the adsorption site

  8. Density functional theory study the effects of oxygen-containing functional groups on oxygen molecules and oxygen atoms adsorbed on carbonaceous materials.

    Science.gov (United States)

    Qi, Xuejun; Song, Wenwu; Shi, Jianwei

    2017-01-01

    Density functional theory was used to study the effects of different types of oxygen-containing functional groups on the adsorption of oxygen molecules and single active oxygen atoms on carbonaceous materials. During gasification or combustion reactions of carbonaceous materials, oxygen-containing functional groups such as hydroxyl(-OH), carbonyl(-CO), quinone(-O), and carboxyl(-COOH) are often present on the edge of graphite and can affect graphite's chemical properties. When oxygen-containing functional groups appear on a graphite surface, the oxygen molecules are strongly adsorbed onto the surface to form a four-member ring structure. At the same time, the O-O bond is greatly weakened and easily broken. The adsorption energy value indicates that the adsorption of oxygen molecules changes from physisorption to chemisorption for oxygen-containing functional groups on the edge of a graphite surface. In addition, our results indicate that the adsorption energy depends on the type of oxygen-containing functional group. When a single active oxygen atom is adsorbed on the bridge site of graphite, it gives rise to a stable epoxy structure. Epoxy can cause deformation of the graphite lattice due to the transition of graphite from sp2 to sp3 after the addition of an oxygen atom. For quinone group on the edge of graphite, oxygen atoms react with carbon atoms to form the precursor of CO2. Similarly, the single active oxygen atoms of carbonyl groups can interact with edge carbon atoms to form the precursor of CO2. The results show that oxygen-containing functional groups on graphite surfaces enhance the activity of graphite, which promotes adsorption on the graphite surface.

  9. Boehm Titration Revisited (Part II: A Comparison of Boehm Titration with Other Analytical Techniques on the Quantification of Oxygen-Containing Surface Groups for a Variety of Carbon Materials

    Directory of Open Access Journals (Sweden)

    Jan Schönherr

    2018-04-01

    Full Text Available The use of the Boehm titration (BT method as an analytical tool for the quantification of oxygen-containing surface groups is systematically investigated for oxidized carbon black, carbon nanotubes and two active carbons with specific surface areas between 60 and 1750 m2 g−1. The accuracy of the BT method is quantitatively compared with results from elemental analysis (EA, temperature programmed desorption (TPD, and X-ray photoelectron spectroscopy (XPS. Overall, the results from TPD are in line with the values obtained by BT. Both show the equal ratio of the oxygen groups to each other. Within the series of carbon samples, all methods provide similar trends for the total oxygen content yet the absolute numbers are deviating significantly. Reasons for these discrepancies are discussed and linked to the specific characteristics of the different methods. As the BT method is a solution based method, it only probes the surface fraction of the carbon that is accessible to the base solution. That means, it probes the relevant fraction for applications where carbon is in contact to aqueous solutions. Overall, the BT method can be conveniently applied to a broad range of carbon materials as long as the samples are sufficiently hydrophilic and of the enough sample amount is provided.

  10. Graphs, groups and surfaces

    CERN Document Server

    White, AT

    1985-01-01

    The field of topological graph theory has expanded greatly in the ten years since the first edition of this book appeared. The original nine chapters of this classic work have therefore been revised and updated. Six new chapters have been added, dealing with: voltage graphs, non-orientable imbeddings, block designs associated with graph imbeddings, hypergraph imbeddings, map automorphism groups and change ringing.Thirty-two new problems have been added to this new edition, so that there are now 181 in all; 22 of these have been designated as ``difficult'''' and 9 as ``unsolved''''. Three of the four unsolved problems from the first edition have been solved in the ten years between editions; they are now marked as ``difficult''''.

  11. Beauville Surfaces and Groups 2012

    CERN Document Server

    Garion, Shelly; Vdovina, Alina

    2015-01-01

    This collection of surveys and research articles explores a fascinating class of varieties: Beauville surfaces. It is the first time that these objects are discussed from the points of view of algebraic geometry as well as group theory. The book also includes various open problems and conjectures related to these surfaces. Beauville surfaces are a class of rigid regular surfaces of general type, which can be described in a purely algebraic combinatoric way. They play an important role in different fields of mathematics like algebraic geometry, group theory and number theory. The notion of Beauville surface was introduced by Fabrizio Catanese in 2000 and, after the first systematic study of these surfaces by Ingrid Bauer, Fabrizio Catanese and Fritz Grunewald, there has been an increasing interest in the subject. These proceedings reflect the topics of the lectures presented during the workshop ‘Beauville Surfaces and Groups 2012’, held at Newcastle University, UK in June 2012. This conference brought toge...

  12. Late Archean Surface Ocean Oxygenation (Invited)

    Science.gov (United States)

    Kendall, B.; Reinhard, C.; Lyons, T. W.; Kaufman, A. J.; Anbar, A. D.

    2009-12-01

    Oxygenic photosynthesis must have evolved by 2.45-2.32 Ga, when atmospheric oxygen abundances first rose above 0.001% present atmospheric level (Great Oxidation Event; GOE). Biomarker evidence for a time lag between the evolution of cyanobacterial oxygenic photosynthesis and the GOE continues to be debated. Geochemical signatures from sedimentary rocks (redox-sensitive trace metal abundances, sedimentary Fe geochemistry, and S isotopes) represent an alternative tool for tracing the history of Earth surface oxygenation. Integrated high-resolution chemostratigraphic profiles through the 2.5 Ga Mt. McRae Shale (Pilbara Craton, Western Australia) suggest a ‘whiff’ of oxygen in the surface environment at least 50 M.y. prior to the GOE. However, the geochemical data from the Mt. McRae Shale does not uniquely constrain the presence or extent of Late Archean ocean oxygenation. Here, we present high-resolution chemostratigraphic profiles from 2.6-2.5 Ga black shales (upper Campbellrand Subgroup, Kaapvaal Craton, South Africa) that provide the earliest direct evidence for an oxygenated ocean water column. On the slope beneath the Campbellrand - Malmani carbonate platform (Nauga Formation), a mildly oxygenated water column (highly reactive iron to total iron ratios [FeHR/FeT] ≤ 0.4) was underlain by oxidizing sediments (low Re and Mo abundances) or mildly reducing sediments (high Re but low Mo abundances). After drowning of the carbonate platform (Klein Naute Formation), the local bottom waters became anoxic (FeHR/FeT > 0.4) and intermittently sulphidic (pyrite iron to highly reactive iron ratios [FePY/FeHR] > 0.8), conducive to enrichment of both Re and Mo in sediments, followed by anoxic and Fe2+-rich (ferruginous) conditions (high FeT, FePY/FeHR near 0). Widespread surface ocean oxygenation is suggested by Re enrichment in the broadly correlative Klein Naute Formation and Mt. McRae Shale, deposited ~1000 km apart in the Griqualand West and Hamersley basins

  13. Invited: Tailoring Platinum Group Metals Towards Optimal Activity for Oxygen Electroreduction to H2o and H2O2: From Extended Surfaces to Nanoparticles

    DEFF Research Database (Denmark)

    Stephens, Ifan

    2014-01-01

    fuel cell technology could be scaled up.(1) The most widely used strategy towards decreasing the Pt loading is to alloy Pt with other late transition metals, in particular Ni or Co. (2-5) However, when tested in a fuel cell, these alloys are often susceptible towards degradation via dealloying.(6, 7......The slow kinetics of the 4-electron reduction of oxygen to H2O imposes a bottleneck against the widespread uptake of low temperature fuel cells in automotive vehicles. High loadings of platinum are required to drive the reaction; the limited supply of this precious metal limits the extent to which......, so that they can be implemented in fuel cells. In most fuel cell applications, the production of H2O2 during oxygen reduction is an unwanted side reaction, to be avoided at all cost. However, H2O2 is a very useful chemical in its own right, whose annual global production exceeds 3 M tons. At present...

  14. Invited: Tailoring Platinum Group Metals Towards Optimal Activity for Oxygen Electroreduction to H2o and H2O2: From Extended Surfaces to Nanoparticles

    DEFF Research Database (Denmark)

    Stephens, Ifan

    2014-01-01

    The slow kinetics of the 4-electron reduction of oxygen to H2O imposes a bottleneck against the widespread uptake of low temperature fuel cells in automotive vehicles. High loadings of platinum are required to drive the reaction; the limited supply of this precious metal limits the extent to which......, so that they can be implemented in fuel cells. In most fuel cell applications, the production of H2O2 during oxygen reduction is an unwanted side reaction, to be avoided at all cost. However, H2O2 is a very useful chemical in its own right, whose annual global production exceeds 3 M tons. At present...... fuel cell technology could be scaled up.(1) The most widely used strategy towards decreasing the Pt loading is to alloy Pt with other late transition metals, in particular Ni or Co. (2-5) However, when tested in a fuel cell, these alloys are often susceptible towards degradation via dealloying.(6, 7...

  15. Oxygen status during haemodialysis. The Cord-Group

    DEFF Research Database (Denmark)

    Nielsen, A L; Jensen, H Æ; Hegbrant, J

    1995-01-01

    Hypoxia during haemodialysis, mainly acetate, has been reported several times. In our study we have monitored oxygen status during 258 bicarbonate haemodialyses. A significant drop below 80 mmHg in mean oxygen tension occurred. Mean oxygen saturation reflected this drop but did not reach levels...... below 90%. The mean oxygen concentration was on the whole critical low, though slightly increasing during each haemodialysis session due to ultrafiltration. It is concluded that both hypoxia and hypoxaemia do occur during bicarbonate haemodialysis. To a group of patients generally having limited cardiac...... reserves, a poor oxygen status is a potentially serious complication to haemodialysis. Monitoring oxygen status is thus advisable....

  16. The determination of oxygen in molybdenum and tungsten monocrystals taking into account the surface oxygen contribution

    International Nuclear Information System (INIS)

    Aleksandrov, V.D.; Egiazarov, B.G.; Polyakova, I.S.; Sel'dyakov, Yu.P.; Chernyavskij, V.T.

    1977-01-01

    The method has been developed for determining oxygen content in molybdenum and tungsten usign the neutron activation analysis. The sensitivity is 1.6X10 -5 and 1.3x10 -3 wt.% for molybdenum and tungsten, respectively. The density of oxygen distribution in surface layers has been experimentally evaluated. It is shown that the oxygen presence in a surface layer of molybdenum and tungsten does not impede oxygen determination in the bulk of the sample, when the oxygen content is >5x10 -5 wt.%. If oxygen content is -3 wt.%, the presence of oxygen in the surface layer should be taken into account

  17. Effects of Oxygen-Containing Functional Groups on Supercapacitor Performance

    Energy Technology Data Exchange (ETDEWEB)

    Kerisit, Sebastien N.; Schwenzer, Birgit; Vijayakumar, M.

    2014-07-03

    Molecular dynamics (MD) simulations of the interface between graphene and the ionic liquid 1-butyl-3-methylimidazolium trifluoromethanesulfonate (BMIM OTf) were carried out to gain molecular-level insights into the performance of graphene-based supercapacitors and, in particular, determine the effects of the presence of oxygen-containing defects at the graphene surface on their integral capacitance. The MD simulations predict that increasing the surface coverage of hydroxyl groups negatively affects the integral capacitance, whereas the effect of the presence of epoxy groups is much less significant. The calculated variations in capacitance are found to be directly correlated to the interfacial structure. Indeed, hydrogen bonding between hydroxyl groups and SO3 anion moieties prevents BMIM+ and OTf- molecules from interacting favorably in the dense interfacial layer and restrains the orientation and mobility of OTf- ions, thereby reducing the permittivity of the ionic liquid at the interface. The results of the molecular simulations can facilitate the rational design of electrode materials for supercapacitors.

  18. The surface chemistry of metal-oxygen interactions

    DEFF Research Database (Denmark)

    Stokbro, Kurt; Baroni, Stefano

    1997-01-01

    We report on a computational study of the clean and oxygen-covered Rh(110) surface, based on density-functional theory within the local-density approximation. We have used plane-wave basis sets and Vanderbilt ultra-soft pseudopotentials. For the clean surface, we present results for the equilibrium...... structure, surface energy and surface stress of the unreconstructed and (1 x 2) reconstructed structures. For the oxygen-covered surface we have performed a geometry optimization at 0.5, 1, and 2 monolayer oxygen coverages, and we present results for the equilibrium configurations, workfunctions and oxygen...

  19. Work function modifications of graphite surface via oxygen plasma treatment

    Science.gov (United States)

    Duch, J.; Kubisiak, P.; Adolfsson, K. H.; Hakkarainen, M.; Golda-Cepa, M.; Kotarba, A.

    2017-10-01

    The surface modification of graphite by oxygen plasma was investigated experimentally (X-ray diffraction, nanoparticle tracking analysis, laser desorption ionization mass spectrometry, thermogravimetry, water contact angle) and by molecular modelling (Density Functional Theory). Generation of surface functional groups (mainly sbnd OHsurf) leads to substantial changes in electrodonor properties and wettability gauged by work function and water contact angle, respectively. The invoked modifications were analyzed in terms of Helmholtz model taking into account the theoretically determined surface dipole moment of graphite-OHsurf system (μ = 2.71 D) and experimentally measured work function increase (from 0.75 to 1.02 eV) to determine the sbnd OH surface coverage (from 0.70 to 1.03 × 1014 groups cm-2). Since the plasma treatment was confined to the surface, the high thermal stability of the graphite material was preserved as revealed by the thermogravimetric analysis. The obtained results provide a suitable quantitative background for tuning the key operating parameters of carbon electrodes: electronic properties, interaction with water and thermal stability.

  20. Osteoblast response to oxygen functionalised plasma polymer surfaces

    CERN Document Server

    Kelly, J M

    2001-01-01

    Thin organic films with oxygen-carbon functionalities were deposited from plasmas containing vapour of the small organic compounds: allyI alcohol, methyl vinyl ketone and acrylic acid with octadiene. Characterisation of the deposits was carried out using X-ray photoelectron spectroscopy, in conjunction with chemical derivatisation, and this showed that plasma polymers retained high levels of original monomer functionality when the plasmas were sustained at low power for a given monomer vapour flow rate. High levels of attachment of rat osteosarcoma (ROS 17/2.8) cells were observed on surfaces that had high concentrations of hydroxyl and carbonyl functionalities and intermediate concentrations of carboxyl functionality. Cells did not attach to the octadiene plasma polymer. Cell attachment to carboxyl and methyl functionalised self-assembled monolayers increased with increasing concentration of surface carboxyl groups. Adsorption of the extracellular matrix protein fibronectin to acrylic acid/octadiene plasma c...

  1. Oxygen groups in coals and alginite-rich kerogen revisited

    Energy Technology Data Exchange (ETDEWEB)

    Petersen, Henrik I.; Rosenberg, Per; Nytoft, Hans P. [Geological Survey of Denmark and Greenland (GEUS), Oester Voldgade 10, DK-1350 Copenhagen K (Denmark)

    2008-04-03

    Detailed Fourier Transform Infrared Spectroscopy (FTIR), chemical oxidation and reduction, and multivariate regression analysis have been applied to gain insight into the relative proportions and types of oxygen functional groups in coals of varying rank and in alginite-rich organic matter in oil shales and marine shale. FTIR spectra of demineralised and non-demineralised coals with a vitrinite reflectance below {proportional_to} 0.4%R{sub o} revealed that the spectra are significantly different in the carbonyl region, probably due to the configuration of weak conjugated oxygen bonds into a more rigid form during demineralisation. In coals and lignin, the relative FTIR response from oxygen groups occurs in the order hydroxyl {>=} ether > ketone/ester > carboxyl > quinone, where ester groups are related to cutinite and sporinite. A pronounced decrease in oxygen content occurs from {proportional_to} 0.43-0.50%R{sub o}, but the oxygen groups show different evolutionary trends during initial thermal maturation: (i) carboxyl group absorption increases significantly up to lignite/subbituminous C rank, followed by a rapid decrease and disappearance at {proportional_to} 0.45%R{sub o}, (ii) ketone (carbonyl) group absorption is prominent at maturities < 0.45%R{sub o}, but at higher maturities the response declines gradually, (iii) ether group absorption increases to a maximum at {proportional_to} 0.45-0.50%R{sub o}, from where it decreases gradually, (iv) at atomic O/C ratios > 0.2 (approximately < 0.45%R{sub o}) hydroxyl group (principally phenolic) absorption is highly variable, but at increasing thermal maturity significant dehydroxylation occurs. Elimination of oxygen groups in the coaly organic matter thus occurs in the order quinone, carboxyl, ketone/ester, hydroxyl and ether. Both ether and hydroxyl are still present at an O/C ratio of 0.05. Oxygen in the alginite-dominated kerogen of the shales is entirely bound as ether, carbonyl (mainly ester) and hydroxyl. The

  2. Effect of surface strain on oxygen adsorption on Zr (0001) surface

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Xing [Univ. of Wisconsin-Madison, Madison, WI (United States). Dept. of Engineering Physics; Khafizov, Marat [Idaho National Laboratory (INL), Idaho Falls, ID (United States); Szlufarska, Izabela [Univ. of Wisconsin-Madison, Madison, WI (United States). Dept. of Engineering Physics; Univ. of Wisconsin-Madison, Madison, WI (United States). Dept. of Materials Science and Engineering

    2014-02-01

    The effect of surface strain on oxygen adsorption on Zr (0 0 0 1) surface is investigated by density functional theory (DFT) calculations. It is demonstrated that both surface strain and interactions between oxygen adsorbates influence the adsorption process. Oxygen binding to zirconium becomes stronger as the strain changes from compressive to tensile. When oxygen coverage is low and the oxygen interactions are negligible, surface face-centered cubic sites are the most stable for O binding. At high coverage and under compression, octahedral sites between second and third Zr layers become most favorable because the interactions between adsorbates are weakened by positive charge screening. Calculations with both single-layer adsorption model and multiple-layer adsorption model demonstrate that compressive strain at the Zr/oxide interface will provide a thermodynamic driving force for oxygen to incorporate from the surface into the bulk of Zr, while binding oxygen to the Zr surface will be easier when tensile strain is applied.

  3. Oxygen functional groups in graphitic carbon nitride for enhanced photocatalysis.

    Science.gov (United States)

    Liu, Shizhen; Li, Degang; Sun, Hongqi; Ang, Ha Ming; Tadé, Moses O; Wang, Shaobin

    2016-04-15

    Metal-free semiconductors offer a new opportunity for environmental photocatalysis toward a potential breakthrough in high photo efficiency with complete prevention of metal leaching. In this study, graphitic carbon nitride (GCN) modified by oxygen functional groups was synthesized by a hydrothermal treatment of pristine GCN at different temperatures with H2O2. Insights into the emerging characteristics of the modified GCN in photocatalysis were obtained by determining the optical properties, band structure, electrochemical activity and pollutant degradation efficiency. It was found that the introduction of GCN with oxygen functional groups can enhance light absorption and accelerate electron transfer so as to improve the photocatalytic reaction efficiency. The photoinduced reactive radicals and the associated photodegradation were investigated by in situ electron paramagnetic resonance (EPR). The reactive radicals, O2(-) and OH, were responsible for organic degradation. Copyright © 2016 Elsevier Inc. All rights reserved.

  4. Formation of oxygen complexes in controlled atmosphere at surface ...

    Indian Academy of Sciences (India)

    The effects of boron and phosphorus incorporation in phenolic resin precursor to the oxidation resistance of glassy carbon have been studied. In order to reveal the nature and composition of the oxygen complexes formed at the surface of doped glassy carbon, under controlled atmosphere, the surface of the samples was ...

  5. Formation of oxygen complexes in controlled atmosphere at surface ...

    Indian Academy of Sciences (India)

    Abstract. The effects of boron and phosphorus incorporation in phenolic resin precursor to the oxidation resistance of glassy carbon have been studied. In order to reveal the nature and composition of the oxygen complexes formed at the surface of doped glassy carbon, under controlled atmosphere, the surface of the ...

  6. Oxygen surface exchange and oxidative dehydrogenation on oxide ion conductors

    NARCIS (Netherlands)

    Song, C.

    2012-01-01

    The research described in this thesis mainly aims at investigation of the rate of oxygen exchange at the surface of oxide ion conductors. The introduction is given in Chapter 1. A fast and simple method, referred to as pulse 18O-16O isotopic exchange (PIE), for measurement of the rate of surface

  7. Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces

    DEFF Research Database (Denmark)

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

    2011-01-01

    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 with the c......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...... that was the same for a wide variety of oxide catalyst materials and a universal descriptor for the oxygen evolution activity, which suggests a fundamental limitation on the maximum oxygen evolution activity of planar oxide catalysts....

  8. Group Additivity Determination for Oxygenates, Oxonium Ions, and Oxygen-Containing Carbenium Ions

    Energy Technology Data Exchange (ETDEWEB)

    Dellon, Lauren D. [Department; Sung, Chun-Yi [Department; Robichaud, David J. [National Renewable Energy Laboratory, 15013 Denver West Parkway, Golden, Colorado 80401, United States; Broadbelt, Linda J. [Department

    2017-09-06

    Bio-oil produced from biomass fast pyrolysis often requires catalytic upgrading to remove oxygen and acidic species over zeolite catalysts. The elementary reactions in the mechanism for this process involve carbenium and oxonium ions. In order to develop a detailed kinetic model for the catalytic upgrading of biomass, rate constants are required for these elementary reactions. The parameters in the Arrhenius equation can be related to thermodynamic properties through structure-reactivity relationships, such as the Evans-Polanyi relationship. For this relationship, enthalpies of formation of each species are required, which can be reasonably estimated using group additivity. However, the literature previously lacked group additivity values for oxygenates, oxonium ions, and oxygen-containing carbenium ions. In this work, 71 group additivity values for these types of groups were regressed, 65 of which had not been reported previously and six of which were newly estimated based on regression in the context of the 65 new groups. Heats of formation based on atomization enthalpy calculations for a set of reference molecules and isodesmic reactions for a small set of larger species for which experimental data was available were used to demonstrate the accuracy of the Gaussian-4 quantum mechanical method in estimating enthalpies of formation for species involving the moieties of interest. Isodesmic reactions for a total of 195 species were constructed from the reference molecules to calculate enthalpies of formation that were used to regress the group additivity values. The results showed an average deviation of 1.95 kcal/mol between the values calculated from Gaussian-4 and isodesmic reactions versus those calculated from the group additivity values that were newly regressed. Importantly, the new groups enhance the database for group additivity values, especially those involving oxonium ions.

  9. The C21-formyl group in chlorophyllforiginates from molecular oxygen.

    Science.gov (United States)

    Garg, Harsh; Loughlin, Patrick C; Willows, Robert D; Chen, Min

    2017-11-24

    Chlorophylls (Chls) are the most important cofactors for capturing solar energy to drive photosynthetic reactions. Five spectral types of Chls have been identified to date, with Chl f having the most red-shifted absorption maximum because of a C2 1 -formyl group substitution of Chl f However, the biochemical provenance of this formyl group is unknown. Here, we used a stable isotope labeling technique ( 18 O and 2 H) to determine the origin of the C2 1 -formyl group of Chl f and to verify whether Chl f is synthesized from Chl a in the cyanobacterial species Halomicronema hongdechloris. In the presence of either H 2 18 O or 18 O 2 , the origin of oxygen atoms in the newly synthesized chlorophylls was investigated. The pigments were isolated with HPLC, followed by MS analysis. We found that the oxygen atom of the C2 1 -formyl group originates from molecular oxygen and not from H 2 O. Moreover, we examined the kinetics of the labeling of Chl a and Chl f from H. hongdechloris grown in 50% D 2 O-seawater medium under different light conditions. When cells were shifted from white light D 2 O-seawater medium to far-red light H 2 O-seawater medium, the observed deuteration in Chl f indicated that Chl(ide) a is the precursor of Chl f Taken together, our results advance our understanding of the biosynthesis pathway of the chlorophylls and the formation of the formyl group in Chl f . © 2017 by The American Society for Biochemistry and Molecular Biology, Inc.

  10. Mechanisms of group A Streptococcus resistance to reactive oxygen species

    Science.gov (United States)

    Henningham, Anna; Döhrmann, Simon; Nizet, Victor; Cole, Jason N.

    2015-01-01

    Streptococcus pyogenes, also known as group A Streptococcus (GAS), is an exclusively human Gram-positive bacterial pathogen ranked among the ‘top 10’ causes of infection-related deaths worldwide. GAS commonly causes benign and self-limiting epithelial infections (pharyngitis and impetigo), and less frequent severe invasive diseases (bacteremia, toxic shock syndrome and necrotizing fasciitis). Annually, GAS causes 700 million infections, including 1.8 million invasive infections with a mortality rate of 25%. In order to establish an infection, GAS must counteract the oxidative stress conditions generated by the release of reactive oxygen species (ROS) at the infection site by host immune cells such as neutrophils and monocytes. ROS are the highly reactive and toxic byproducts of oxygen metabolism, including hydrogen peroxide (H2O2), superoxide anion (O2•−), hydroxyl radicals (OH•) and singlet oxygen (O2*), which can damage bacterial nucleic acids, proteins and cell membranes. This review summarizes the enzymatic and regulatory mechanisms utilized by GAS to thwart ROS and survive under conditions of oxidative stress. PMID:25670736

  11. Mechanisms of group A Streptococcus resistance to reactive oxygen species.

    Science.gov (United States)

    Henningham, Anna; Döhrmann, Simon; Nizet, Victor; Cole, Jason N

    2015-07-01

    Streptococcus pyogenes, also known as group A Streptococcus (GAS), is an exclusively human Gram-positive bacterial pathogen ranked among the 'top 10' causes of infection-related deaths worldwide. GAS commonly causes benign and self-limiting epithelial infections (pharyngitis and impetigo), and less frequent severe invasive diseases (bacteremia, toxic shock syndrome and necrotizing fasciitis). Annually, GAS causes 700 million infections, including 1.8 million invasive infections with a mortality rate of 25%. In order to establish an infection, GAS must counteract the oxidative stress conditions generated by the release of reactive oxygen species (ROS) at the infection site by host immune cells such as neutrophils and monocytes. ROS are the highly reactive and toxic byproducts of oxygen metabolism, including hydrogen peroxide (H2O2), superoxide anion (O2•(-)), hydroxyl radicals (OH•) and singlet oxygen (O2*), which can damage bacterial nucleic acids, proteins and cell membranes. This review summarizes the enzymatic and regulatory mechanisms utilized by GAS to thwart ROS and survive under conditions of oxidative stress. © FEMS 2015.

  12. Surface analysis of long-distance oxygen plasma sterilized PTFE film

    Energy Technology Data Exchange (ETDEWEB)

    Liu Hongxia, E-mail: hxliu72@mail.xjtu.edu.cn [Department of Environmental Science and Engineering, Xi' an Jiaotong University, Xi' an 710049 (China); State Key Laboratory of Multiphase Flow in Power Engineering, Xi' an Jiaotong University, Xi' an 710049 (China); Zhang Huijun; Chen Jierong [Department of Environmental Science and Engineering, Xi' an Jiaotong University, Xi' an 710049 (China)

    2009-06-30

    The influence of long-distance oxygen plasma sterilization on surface properties of substrate material, i.e., medical poly(tetrafluoroethylene) (PTFE), and aging effect of these sterilized PTFE film surfaces were investigated by contact angle measurement, mass loss determination, scanning electron microscopy (SEM) as well as bacterial adhesion and platelet adhesion measurements in vitro, respectively. The changes in chemical structure of sterilized PTFE film were followed using X-ray photoelectron spectroscopy (XPS). As a result of plasma sterilization oxygen-containing functional groups (such as C=O and C=O), especially the C=O group are introduced into PTFE surfaces, and thus pronounced increases of surface free energy and surface wettability are presented when the sample positions are within 0-40 cm. The film surface wettability degrades little as the aging time continued as long as 190 days. At the same time, the minimal surface degradation and damage occur on the sterilized PTFE when the sample position is at 40 cm. Moreover, the antibacterial adhesion and blood compatibility of sterilized PTFE surface are enhanced and the optimal effects are also obtained at 40 cm. The essential reason may be due to the optimal equilibrium between surface wettability and surface damage, which is achieved at 40 cm. Overall, of the surface properties of long-distance oxygen plasma sterilized PTFE analyzed, the sterilization at 40 cm is optimal.

  13. Surface modification of polystyrene with atomic oxygen radical anions-dissolved solution

    International Nuclear Information System (INIS)

    Wang Lian; Yan Lifeng; Zhao Peitao; Torimoto, Yoshifumi; Sadakata, Masayoshi; Li Quanxin

    2008-01-01

    A novel approach to surface modification of polystyrene (PS) polymer with atomic oxygen radical anions-dissolved solution (named as O - water) has been investigated. The O - water, generated by bubbling of the O - (atomic oxygen radical anion) flux into the deionized water, was characterized by UV-absorption spectroscopy and electron paramagnetic resonance (EPR) spectroscopy. The O - water treatments caused an obvious increase of the surface hydrophilicity, surface energy, surface roughness and also caused an alteration of the surface chemical composition for PS surfaces, which were indicated by the variety of contact angle and material characterization by atomic force microscope (AFM) imaging, field emission scanning electron microscopy (FESEM), X-ray photoelectron spectroscopy (XPS), and attenuated total-reflection Fourier transform infrared (ATR-FTIR) measurements. Particularly, it was found that some hydrophilic groups such as hydroxyl (OH) and carbonyl (C=O) groups were introduced onto the polystyrene surfaces via the O - water treatment, leading to the increases of surface hydrophilicity and surface energy. The active oxygen species would react with the aromatic ring molecules on the PS surfaces and decompose the aromatic compounds to produce hydrophilic hydroxyl and carbonyl compounds. In addition, the O - water is also considered as a 'clean solution' without adding any toxic chemicals and it is easy to be handled at room temperature. Present method may suit to the surface modification of polymers and other heat-sensitive materials potentially

  14. Chemical Recognition of Active Oxygen Species on the Surface of Oxygen Evolution Reaction Electrocatalysts.

    Science.gov (United States)

    Yang, Chunzhen; Fontaine, Olivier; Tarascon, Jean-Marie; Grimaud, Alexis

    2017-07-17

    Owing to the transient nature of the intermediates formed during the oxygen evolution reaction (OER) on the surface of transition metal oxides, their nature remains largely elusive by the means of simple techniques. The use of chemical probes is proposed, which, owing to their specific affinities towards different oxygen species, unravel the role played by these species on the OER mechanism. For that, tetraalkylammonium (TAA) cations, previously known for their surfactant properties, are introduced, which interact with the active oxygen sites and modify the hydrogen bond network on the surface of OER catalysts. Combining chemical probes with isotopic and pH-dependent measurements, it is further demonstrated that the introduction of iron into amorphous Ni oxyhydroxide films used as model catalysts deeply modifies the proton exchange properties, and therefore the OER mechanism and activity. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Late Quaternary changes in surface productivity and oxygen ...

    Indian Academy of Sciences (India)

    Changes in the abundance of selected planktic foraminiferal species and some sedimentological parameters at ODP site 728A were examined to understand the fluctuations in the surface productivity and deep sea oxygenation in the NW Arabian Sea during last ∼540 kyr. The increased relative abundances of high fertility ...

  16. Oxygen surface exchange kinetics of erbia-stabilized bismuth oxide

    NARCIS (Netherlands)

    Yoo, C.-Y.; Boukamp, Bernard A.; Bouwmeester, Henricus J.M.

    2011-01-01

    The surface oxygen exchange kinetics of bismuth oxide stabilized with 25 mol% erbia (BE25) has been studied in the temperature and pO2 ranges 773–1,023 K and 0.1– 0.95 atm, respectively, using pulse-response 18O–16O isotope exchange measurements. The results indicate that BE25 exhibits a

  17. Oxygen Evolution at Hematite Surfaces: The Impact of Structure and Oxygen Vacancies on Lowering the Overpotential

    NARCIS (Netherlands)

    Zhang, X.; Klaver, P.; van Santen, R.; van de Sanden, M. C. M.; Bieberle, A.

    2016-01-01

    Simulations of the oxygen evolution reaction (OER) are essential for understanding the limitations of water splitting. Most research has focused so far on the OER at flat metal oxide surfaces. The structure sensitivity of the OER has, however, recently been highlighted as a promising research

  18. Surface oxygen vacancy and oxygen permeation flux limits of perovskite ion transport membranes

    KAUST Repository

    Hunt, Anton

    2015-09-01

    © 2015 Elsevier B.V. The mechanisms and quantitative models for how oxygen is separated from air using ion transport membranes (ITMs) are not well understood, largely due to the experimental complexity for determining surface exchange reactions at extreme temperatures (>800°C). This is especially true when fuels are present at the permeate surface. For both inert and reactive (fuels) operations, solid-state oxygen surface vacancies (δ) are ultimately responsible for driving the oxygen flux, JO2. In the inert case, the value of δ at either surface is a function of the local PO2 and temperature, whilst the magnitude of δ dictates both the JO2 and the inherent stability of the material. In this study values of δ are presented based on experimental measurements under inert (CO2) sweep: using a permeation flux model and local PO2 measurements, collected by means of a local gas-sampling probe in our large-scale reactor, we can determine δ directly. The ITM assessed was La0.9Ca0.1FeO3-δ (LCF); the relative resistances to JO2 were quantified using the pre-defined permeation flux model and local PO2 values. Across a temperature range from 825°C to 1056°C, δ was found to vary from 0.007 to 0.029 (<1%), safely within material stability limits, whilst the permeate surface exchange resistance dominates. An inert JO2 limit was identified owing to a maximum sweep surface δ, δmaxinert. The physical presence of δmaxinert is attributed to a rate limiting step shift from desorption to associative electron transfer steps on the sweep surface as PO2 is reduced. Permeate surface exchange limitations under non-reactive conditions suggest that reactive (fuel) operation is necessary to accelerate surface chemistry for future work, to reduce flux resistance and push δpast δmaxinert in a stable manner.

  19. Single electron detachment of carbon group and oxygen group elements incident on helium

    International Nuclear Information System (INIS)

    Huang Yongyi; Li Guangwu; Gao Yinghui; Yang Enbo; Gao Mei; Lu Fuquan; Zhang Xuemei

    2006-01-01

    The absolute single electron detachment (SED) cross sections of carbon group elements C - , Si - , Ge - in the energy range of 0.05-0.29 a.u. (5 keV-30 keV) and oxygen group elements O - and S - 0.08-0.27 a.u. (5 keV-30 keV), incident on helium are measured with growth rate method. In our energy region, the SED cross sections of C - , Si - , S - and Ge - increase with the projectiles velocity, at the same time, O - cross sections reach a conspicuous maximum at 0.18 a.u. Some abnormal behavior occurs in measurement of SED cross sections for the oxygen group collision with helium. Our results have been compared with a previous work

  20. Embeddings of graph braid and surface groups in right-angled Artin groups and braid groups

    OpenAIRE

    Crisp, John; Wiest, Bert

    2003-01-01

    We prove by explicit construction that graph braid groups and most surface groups can be embedded in a natural way in right-angled Artin groups, and we point out some consequences of these embedding results. We also show that every right-angled Artin group can be embedded in a pure surface braid group. On the other hand, by generalising to right-angled Artin groups a result of Lyndon for free groups, we show that the Euler characteristic -1 surface group (given by the relation x^2y^2=z^2) nev...

  1. Surface characterization of the chitosan membrane after oxygen plasma treatment and its aging effect

    International Nuclear Information System (INIS)

    Wang Yingjun; Yin Shiheng; Ren Li; Zhao Lianna

    2009-01-01

    Chitosan has received considerable attention for biomedical applications in recent years because of its biocompatibility and biodegradability. In this paper, angle-resolved x-ray photoelectron spectroscopy (ARXPS) was carried out to investigate the chemical groups' spatial orientation on the chitosan membrane surface. Oxygen plasma treatment was also employed to improve the surface hydrophilicity of the chitosan membrane. The results of ARXPS revealed the distribution of surface polar groups, such as-OH and O=CNH 2 toward the membrane bulk, which was the origin of the chitosan membrane surface hydrophobicity. The contact angle measurements and XPS results indicated that oxygen plasma treatment can markedly improve the surface hydrophilicity and surface energy of the chitosan membrane by incorporating oxygen-containing polar groups. With the existence of the aging process, the influence of plasma treatment was not permanent, it faded with storage time. The ARXPS result discovered that the reorientation of polar functional groups generated by plasma treatment toward the membrane bulk was primarily responsible for the aging effect.

  2. Grouping pursuit through a regularization solution surface.

    Science.gov (United States)

    Shen, Xiaotong; Huang, Hsin-Cheng

    2010-06-01

    Extracting grouping structure or identifying homogenous subgroups of predictors in regression is crucial for high-dimensional data analysis. A low-dimensional structure in particular-grouping, when captured in a regression model, enables to enhance predictive performance and to facilitate a model's interpretability Grouping pursuit extracts homogenous subgroups of predictors most responsible for outcomes of a response. This is the case in gene network analysis, where grouping reveals gene functionalities with regard to progression of a disease. To address challenges in grouping pursuit, we introduce a novel homotopy method for computing an entire solution surface through regularization involving a piecewise linear penalty. This nonconvex and overcomplete penalty permits adaptive grouping and nearly unbiased estimation, which is treated with a novel concept of grouped subdifferentials and difference convex programming for efficient computation. Finally, the proposed method not only achieves high performance as suggested by numerical analysis, but also has the desired optimality with regard to grouping pursuit and prediction as showed by our theoretical results.

  3. Binding of oxygen on vacuum fractured pyrite surfaces: Reactivity of iron and sulfur surface sites

    Science.gov (United States)

    Berlich, A. G.; Nesbitt, H. W.; Bancroft, G. M.; Szargan, R.

    2013-05-01

    Synchrotron radiation excited photoelectron spectroscopy (SXPS) has been used to study the interaction of oxygen with vacuum fractured pyrite surfaces. Especially valence band spectra obtained with 30 eV photon energy were analyzed to provide a mechanism of the incipient steps of pyrite oxidation. These spectra are far more sensitive to the oxidation than sulfur or iron core level spectra. It is shown that oxygen is adsorbed on Fe(II) surface sites restoring the octahedral coordination of the Fe(II) sites. This process leads to the removal of two surface states in the valence band which are located at the low and high binding energy sides of the outer valence band, respectively. The existence of these surface states which have been proposed by calculations is experimentally proven. Furthermore, it is shown, that the sulfur sites are more reactive than expected. Sulfite like species are already formed after the lowest oxygen exposure of 10 L. This oxidation occurs at sulfur sites neighboring the Fe(II) surface sites. Oxidation of the S2 - surface sites which were considered as the most reactive species in former studies is second. No iron(III) oxides are formed during oxygen exposure, supporting the assumption that water plays an important role in the oxidation mechanism of pyrite surfaces.

  4. Evaluation of hydrogen and oxygen impurity levels on silicon surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Kenny, M.J.; Wielunski, L.S.; Netterfield, R.P.; Martin, P.J.; Leistner, A. [Commonwealth Scientific and Industrial Research Organisation (CSIRO), Lindfield, NSW (Australia). Div. of Applied Physics

    1996-12-31

    This paper reports on surface analytical techniques used to quantify surface concentrations of impurities such as oxygen and hydrogen. The following analytical techniques were used: Rutherford and Backscattering, elastic recoil detection, time-of-flight SIMS, spectroscopic ellipsometry, x-ray photoelectron spectroscopy. The results have shown a spread in thickness of oxide layer, ranging from unmeasurable to 1.6 nm. The data must be considered as preliminary at this stage, but give some insight into the suitability of the techniques and a general idea of the significance of impurities at the monolayer level. These measurements have been carried out on a small number of silicon surfaces both semiconductor grade <111> crystalline material and silicon which has been used in sphere fabrication. 5 refs., 1 fig.

  5. Oxygen termination of homoepitaxial diamond surface by ozone and chemical methods: An experimental and theoretical perspective

    Science.gov (United States)

    Navas, Javier; Araujo, Daniel; Piñero, José Carlos; Sánchez-Coronilla, Antonio; Blanco, Eduardo; Villar, Pilar; Alcántara, Rodrigo; Montserrat, Josep; Florentin, Matthieu; Eon, David; Pernot, Julien

    2018-03-01

    Phenomena related with the diamond surface of both power electronic and biosensor devices govern their global behaviour. In particular H- or O-terminations lead to wide variations in their characteristics. To study the origins of such aspects in greater depth, different methods to achieve oxygen terminated diamond were investigated following a multi-technique approach. DFT calculations were then performed to understand the different configurations between the C and O atoms. Three methods for O-terminating the diamond surface were performed: two physical methods with ozone at different pressures, and an acid chemical treatment. X-ray photoelectron spectroscopy, spectroscopic ellipsometry, HRTEM, and EELS were used to characterize the oxygenated surface. Periodic-DFT calculations were undertaken to understand the effect of the different ways in which the oxygen atoms are bonded to carbon atoms on the diamond surface. XPS results showed the presence of hydroxyl or ether groups, composed of simple Csbnd O bonds, and the acid treatment resulted in the highest amount of O on the diamond surface. In turn, ellipsometry showed that the different treatments led to the surface having different optical properties, such as a greater refraction index and extinction coefficient in the case of the sample subjected to acid treatment. TEM analysis showed that applying temperature treatment improved the distribution of the oxygen atoms at the interface and that this generates a thinner amount of oxygen at each position and higher interfacial coverage. Finally, DFT calculations showed both an increase in the number of preferential electron transport pathways when π bonds and ether groups appear in the system, and also the presence of states in the middle of the band gap when there are π bonds, Cdbnd C or Cdbnd O.

  6. Modulating Protein Adsorption on Oxygen Plasma Modified Polysiloxane Surfaces

    International Nuclear Information System (INIS)

    Marletta, G.

    2006-01-01

    In the present paper we report the study on the adsorption behaviour of three model globular proteins, Human Serum Albumin, Lactoferrin and Egg Chicken Lysozyme onto both unmodified surfaces of a silicon-based polymer and the corresponding plasma treated surfaces. In particular, thin films of hydrophobic polysiloxane (about 90 degree of static water contact angle, WCA) were converted by oxygen plasma treatment at reduced pressure into very hydrophilic phases of SiOx (WCA less than 5 degree). The kinetics of protein adsorption processes were investigated by QCM-D technique, while the chemical structure and topography of the protein adlayer have been studied by Angular resolved-XPS and AFM respectively. It turned out that Albumin and Lysozyme exhibited the opposite preferential adsorption respectively onto the hydrophobic and hydrophilic surfaces, while Lactoferrin did not exhibit significant differences. The observed protein behaviour are discussed both in terms of surface-dependent parameters, including surface free energy and chemical structure, and in terms of protein-dependent parameters, including charge as well as the average molecular orientation in the adlayers. Finally, some examples of differential adsorption behaviour of the investigated proteins are reported onto nanopatterned polysiloxane surfaces consisting of hydrophobic nanopores surrounded by hydrophilic (plasma-treated) matrix and the reverse

  7. Surface oxygen effects in 14 MeV neutron activation analysis of oxygen in metals

    International Nuclear Information System (INIS)

    Janczyszyn, J.; Sztwiertnia, K.; Tarczanowski, S.

    1976-01-01

    To examine possible ways of reduction of the signal originating from the sample surface, the etching before and after activation and/or nitrogen transport were applied. The efficiency of post activation etching was confirmed. This procedure removes quantity of oxygen equivalent to 45μg/g for aluminium and 6μg/g for copper samples. The nitrogen transport without etching removes as much as 4μg/g in case of copper, however it turned out to be inefficient for aluminium samples. (author)

  8. Chemical analysis of surface oxygenated moieties of fluorescent carbon nanoparticles

    Science.gov (United States)

    Huang, Jie; Deming, Christopher P.; Song, Yang; Kang, Xiongwu; Zhou, Zhi-You; Chen, Shaowei

    2012-01-01

    Water-soluble carbon nanoparticles were prepared by refluxing natural gas soot in concentrated nitric acid. The surface of the resulting nanoparticles was found to be decorated with a variety of oxygenated species, as suggested by spectroscopic measurements. Back potentiometric titration of the nanoparticles was employed to quantify the coverage of carboxylic, lactonic, and phenolic moieties on the particle surface by taking advantage of their vast difference of acidity (pKa). The results were largely consistent with those reported in previous studies with other carbonaceous (nano)materials. Additionally, the presence of ortho- and para-quinone moieties on the nanoparticle surface was confirmed by selective labelling with o-phenylenediamine, as manifested in X-ray photoelectron spectroscopy, photoluminescence, and electrochemical measurements. The results further supported the arguments that the surface functional moieties that were analogous to 9,10-phenanthrenequinone were responsible for the unique photoluminescence of the nanoparticles and the emission might be regulated by surface charge state, as facilitated by the conjugated graphitic core matrix.

  9. Chemical analysis of surface oxygenated moieties of fluorescent carbon nanoparticles.

    Science.gov (United States)

    Huang, Jie; Deming, Christopher P; Song, Yang; Kang, Xiongwu; Zhou, Zhi-You; Chen, Shaowei

    2012-02-07

    Water-soluble carbon nanoparticles were prepared by refluxing natural gas soot in concentrated nitric acid. The surface of the resulting nanoparticles was found to be decorated with a variety of oxygenated species, as suggested by spectroscopic measurements. Back potentiometric titration of the nanoparticles was employed to quantify the coverage of carboxylic, lactonic, and phenolic moieties on the particle surface by taking advantage of their vast difference of acidity (pK(a)). The results were largely consistent with those reported in previous studies with other carbonaceous (nano)materials. Additionally, the presence of ortho- and para-quinone moieties on the nanoparticle surface was confirmed by selective labelling with o-phenylenediamine, as manifested in X-ray photoelectron spectroscopy, photoluminescence, and electrochemical measurements. The results further supported the arguments that the surface functional moieties that were analogous to 9,10-phenanthrenequinone were responsible for the unique photoluminescence of the nanoparticles and the emission might be regulated by surface charge state, as facilitated by the conjugated graphitic core matrix. This journal is © The Royal Society of Chemistry 2012

  10. The modification of nanocomposite hybrid polymer surfaces by exposure to oxygen containing plasmas

    Science.gov (United States)

    Figueiredo, Ashley; Zimmermann, Katherine; Augustine, Brian; Hughes, Chris; Chusuei, Charles

    2006-11-01

    The wetting properties of the surfaces of the nanocomposite hybrid polymer poly[(propylmethacryl-heptaisobutyl- polyhedral oligomeric silsequioxane)-co-(methylmethacrylate)] (POSS-PMMA)has been studied before and after exposure to plasmas containing oxygen. The contact angle of water droplets on the surface showed a substantial decrease after plasma exposure indicating an increase in the hydrophilicity of the surface. A model was developed in which the plasma preferentially removed organic material including both the PMMA backbone and isobutyl groups from the corners of the POSS cages leaving behind a surface characterized by the silicon oxide-like POSS material. Measurements of surface concentrations of oxygen, silicon, and carbon by x-ray photoelectron spectroscopy (XPS) showed an increase in the amount of oxygen and silicon compared to carbon and the appropriate chemical shifts were observed in the XPS data to support the model of Si-O enrichment on the surface. Variable angle spectroscopic ellipsometry (VASE) and atomic force microscopy (AFM) measurements also supported the model and these results will be presented.

  11. Elucidation of the Oxygen Surface Kinetics in a Coated Dual-Phase Membrane for Enhancing Oxygen Permeation Flux.

    Science.gov (United States)

    Na, Beom Tak; Park, Jeong Hwan; Park, Jong Hyuk; Yu, Ji Haeng; Joo, Jong Hoon

    2017-06-14

    The dual-phase membrane has received much attention as the solution to the instability of the oxygen permeation membrane. It has been reported that the oxygen flux of the dual-phase membrane is greatly enhanced by the active coating layer. However, there has been little discussion about the enhancement mechanism by surface coating in the dual-phase membrane. This study investigates the oxygen flux of the Ce 0.9 Gd 0.1 O 2-δ -La 0.7 Sr 0.3 MnO 3±δ (GDC 80 vol %/LSM 20 vol %) composite membrane depending on the oxygen partial pressure (P O 2 ) to elucidate the mechanism of enhanced oxygen flux by the surface modification in the fluorite-rich phase dual-phase membrane. The oxygen permeation resistances were obtained from the oxygen flux as a function of P O 2 using the oxygen permeation model. The surface exchange coefficient (k) and the bulk diffusion coefficient (D) were calculated from these resistances. According to the calculated k and D values, we concluded that the active coating layer (La 0.6 Sr 0.4 CoO 3-δ ) significantly increased the k value of the membrane. Furthermore, the surface exchange reaction on the permeate side was more sluggish than that at the feed side under operating conditions (feed: 0.21 atm/permeate side: 4.7 × 10 -4 atm). Therefore, the enhancement of the oxygen surface exchange kinetics at the permeate side is more important in improving the oxygen permeation flux of the thin film-based fluorite-rich dual-phase membrane. These results provide new insight about the function of the surface coating to enhance the oxygen permeation flux of the dual-phase membrane.

  12. The surface reactivity of acrylonitrile with oxygen atoms on an analogue of interstellar dust grains.

    Science.gov (United States)

    Kimber, Helen J.; Toscano, Jutta; Price, Stephen D.

    2018-03-01

    Experiments designed to reveal the low temperature reactivity on the surfaces of interstellar dust grains are used to probe the heterogeneous reaction between oxygen atoms and acrylonitrile (C2H3CN, H2C = CH-CN). The reaction is studied at a series of fixed surface temperatures between 14 K and 100 K. After dosing the reactants onto the surface, temperature programmed desorption, coupled with time-of-flight mass spectrometry, reveals the formation of a product with the molecular formula C3H3NO. This product results from the addition of a single oxygen atom to the acrylonitrile reactant. The oxygen atom attack appears to occur exclusively at the C = C double bond, rather than involving the cyano (-CN) group. The absence of reactivity at the cyano site hints that full saturation of organic molecules on dust grains may not always occur in the interstellar medium. Modelling the experimental data provides a reaction probability of 0.007 ± 0.003 for a Langmuir-Hinshelwood style (diffusive) reaction mechanism. Desorption energies for acrylonitrile, oxygen atoms and molecular oxygen, from the multilayer mixed ice their deposition forms, are also extracted from the kinetic model and are 22.7 ± 1.0 kJ mol-1 (2730 ± 120 K), 14.2 ± 1.0 kJ mol-1 (1710 ± 120 K) and 8.5 ± 0.8 kJ mol-1 (1020 ± 100 K) respectively. The kinetic parameters we extract from our experiments indicate that the reaction between atomic oxygen and acrylonitrile could occur on interstellar dust grains on an astrophysical time scale.

  13. 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.

  14. Near Surface CO2 Triple Oxygen Isotope Composition

    Directory of Open Access Journals (Sweden)

    Sasadhar Mahata

    2016-02-01

    Full Text Available The isotopic composition of carbon dioxide in the atmosphere is a powerful tool for constraining its sources and sinks. In particular, the 17O oxygen anomaly [Δ17O = 1000 × ln(1 + δ17O/1000 - 0.516 × 1000 × ln(1 + δ18O/1000], with a value > 0.5‰ produced in the middle atmosphere, provides an ideal tool for probing the exchange of carbon dioxide between the biosphere/hydrosphere and atmosphere. The biosphere/hydrosphere and anthropogenic emissions give values ≤ 0.3‰. Therefore, any anomaly in near surface CO2 would reflect the balance between stratospheric input and exchange with the aforementioned surface sources. We have analyzed Δ17O values of CO2 separated from air samples collected in Taipei, Taiwan, located in the western Pacific region. The obtained mean anomaly is 0.42 ± 0.14‰ (1-σ standard deviation, in good agreement with model prediction and a published decadal record. Apart from typically used δ13C and δ18O values, the Δ17O value could provide an additional tracer for constraining the carbon cycle.

  15. Voltage-sensitive styryl dyes as singlet oxygen targets on the surface of bilayer lipid membrane.

    Science.gov (United States)

    Sokolov, V S; Gavrilchik, A N; Kulagina, A O; Meshkov, I N; Pohl, P; Gorbunova, Yu G

    2016-08-01

    Photosensitizers are widely used as photodynamic therapeutic agents killing cancer cells by photooxidation of their components. Development of new effective photosensitive molecules requires profound knowledge of possible targets for reactive oxygen species, especially for its singlet form. Here we studied photooxidation of voltage-sensitive styryl dyes (di-4-ANEPPS, di-8-ANEPPS, RH-421 and RH-237) by singlet oxygen on the surface of bilayer lipid membranes commonly used as cell membrane models. Oxidation was induced by irradiation of a photosensitizer (aluminum phthalocyanine tetrasulfonate) and monitored by the change of dipole potential on the surface of the membrane. We studied the drop of the dipole potential both in the case when the dye molecules were adsorbed on the same side of the lipid bilayer as the photosensitizer (cis-configuration) and in the case when they were adsorbed on the opposite side (trans-configuration). Based on a simple model, we determined the rate of oxidation of the dyes from the kinetics of change of the potential during and after irradiation. This rate is proportional to steady-state concentration of singlet oxygen in the membrane under irradiation. Comparison of the oxidation rates of various dyes reveals that compounds of ANEPPS series are more sensitive to singlet oxygen than RH type dyes, indicating that naphthalene group is primarily responsible for their oxidation. Copyright © 2016 Elsevier B.V. All rights reserved.

  16. Depth distribution studies of carbon, oxygen and nitrogen in metal surfaces by means of neutron spectrometry

    International Nuclear Information System (INIS)

    Lorenzen, J.

    1975-03-01

    A method has been developed to reveal the depth distributions of the light elements carbon, nitrogen and oxygen in heavy matrices. For this purpose steel and zircaloy samples have been irradiated with deuterons and the neutron groups emitted in (d,n)-reactions with the different light nuclei have been measured using time-of-flight technique. The method has been applied to the study of steel samples that feature inhomogeneous carbon and nitrogen distributions and also to the measurement of diffusion profiles of oxygen in zirconium. With the present technique depth ranges of 10 to 15 μm can be analysed if the deuteron energy is chosen between 2.5 MeV and 3.5 MeV. The depth resolution improves with penetration from being of the order of 1 - 2 μm at the surface to 0.5 μm at greater depths under optimum conditions. The detection limit of the light element increases with the atomic number of the matrix and the analysed depth. For oxygen in zirconium and carbon in steel the limit of detection is of the order of 100 ppm at a depth of 10 μm. Limitations in the analysable range of the different profiles due to interfering neutron groups are discussed. The method is particularly useful for the study of oxygen profiles. It is less adequate for reactions with positive Q-values above 5 MeV. (author)

  17. Influence of surface functional groups on lithium ion intercalation of carbon cloth

    International Nuclear Information System (INIS)

    Ventosa, Edgar; Xia, Wei; Klink, Stefan; La Mantia, Fabio; Muhler, Martin; Schuhmann, Wolfgang

    2012-01-01

    Commercial carbon cloth made of PAN-based carbon fibres was used as free-standing anode for lithium intercalation. The role of surface functional groups on the specific irreversible charge loss and reversible charge during the intercalation and de-intercalation of lithium ions into carbon cloth has been investigated. Oxygen groups have been introduced by nitric acid vapour treatment and subsequently gradually removed by thermal treatment at different temperatures in He or H 2 atmosphere as confirmed by X-ray photoelectron spectroscopy. A clear correlation between the amount of surface-bound oxygen groups and the irreversible specific charge was observed. Three irreversible processes were distinguished during the first cathodic scan: (i) reduction of oxygen groups, (ii) formation of the solid electrolyte interphase (SEI) and (iii) presumably exfoliation. The latter one was only observed for samples with low surface oxygen concentration, and its contribution to the irreversible capacity was small due to the low graphitization degree of the samples. An increased specific reversible charge upon increasing the amount of oxygen-containing groups was observed with the main improvement above 1.5 V.

  18. 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.

  19. DFT studies on the heterogeneous oxidation of SO2 by oxygen functional groups on graphene.

    Science.gov (United States)

    He, Guangzhi; He, Hong

    2016-11-23

    The heterogeneous oxidation of SO 2 has been the subject of intense scrutiny in atmospheric chemistry because of the adverse effects of sulfate particles. Although it has been found that the soot particles with a graphene-like structure play an important role in the oxidation of SO 2 , little is known about the atomic-level mechanism involved. Here, we studied the oxidation of SO 2 on oxygen-functionalized graphene using density functional theory (DFT) calculation. The results showed that SO 2 is oxidized by the epoxide group via a two-step mechanism, where the C-O bond away from the SO 2 is broken first, followed by the breaking of the other C-O bond and the synchronous formation of a new S-O bond. The energy barriers are significantly decreased when solvation free energies are involved, suggesting that humidity is favorable for promoting the oxidation by reducing the reaction barrier. The energy barriers for H 2 SO 3 oxidation are much higher than that for SO 2 oxidation, indicating that the direct conversion of SO 2 to SO 3 is the main pathway for the oxidation of SO 2 by oxygen-functionalized graphene sheets in both the gas phase and solution. The reduced density gradient (RDG) analysis showed that the hydrogen bond formed between H 2 SO 3 and epoxide groups enhances the stability of the reaction complex, and is responsible for the high energy barrier that has to be overcome for the reaction to proceed. These atomistic studies proposed a two-step mechanism for the oxidation of SO 2 on the oxygen-functionalized graphene-like carbonaceous surfaces under ambient conditions.

  20. Oxygen Saturation in the Dental Pulp of Maxillary Premolars in Different Age Groups - Part 1.

    Science.gov (United States)

    Estrela, Carlos; Serpa, Giuliano C; Alencar, Ana Helena G; Bruno, Kely F; Barletta, Fernando B; Felippe, Wilson T; Estrela, Cyntia R A; Souza, João B

    2017-01-01

    The aim of this study was to determine oxygen saturation levels in the dental pulp of maxillary premolars in different age groups. A total of 120 human maxillary premolars with normal dental pulps were selected covering the following age groups: 20-24, 25-29, 30-34, 35-39 and 40-44 years (n=24 each group). Oxygen saturation was assessed using pulse oximetry. Analysis of variance was used to assess differences in oxygen saturation levels and Tukey's test was used to identify the age groups that differed from each other. Significance was set at 0.05. Mean oxygen saturation of 120 premolars was 86.20% considering all age groups. Significantly reduced levels were found in the oldest group compared to the other groups: 40 to 44 years - 80.00% vs. 89.71, 87.67, 88.71, and 84.80% for age groups 20-24, 25-29, 30-34, 35-39 years, respectively. The mean oxygen saturation levels were similar between 20 and 39 years of age (86.20%) in the whole sample, but reduced significantly in the 40-44-year age group, suggesting that older patients present lower oxygen saturation results even in the absence of pulp tissue injury.

  1. Surface Modification of C3N4through Oxygen-Plasma Treatment: A Simple Way toward Excellent Hydrophilicity.

    Science.gov (United States)

    Bu, Xiuming; Li, Jipeng; Yang, Siwei; Sun, Jing; Deng, Yuan; Yang, Yucheng; Wang, Gang; Peng, Zheng; He, Peng; Wang, Xianying; Ding, Guqiao; Yang, Junhe; Xie, Xiaoming

    2016-11-16

    We developed a universal method to prepare hydrophilic carbon nitrogen (C 3 N 4 ) nanosheets. By treating C 3 N 4 nanosheets with oxygen plasma, hydroxylamine groups (N-OH) with intense protonation could be introduced on the surface; moreover, the content of N-OH groups increased linearly with the oxygen-plasma treatment time. Thanks to the excellent hydrophilicity, uniformly dispersed C 3 N 4 solution were prepared, which was further translated into C 3 N 4 paper by simple vacuum filtration. Pure C 3 N 4 paper with good stability, excellent hydrophilicity, and biocompatibility were proved to have excellent performance in tissue repair. Further research demonstrated that the oxygen-plasma treatment method can also introduce N-OH groups into other nitrogen-containing carbon materials (NCMs) such as N-doped graphene, N-doped carbon nanotube, and C 2 N, which offers a new perspective on the surface modification and functionalization of these carbon nanomaterials.

  2. Ion implantation method for preparing polymers having oxygen erosion resistant surfaces

    Science.gov (United States)

    Lee, Eal H.; Mansur, Louis K.; Heatherly, Jr., Lee

    1995-01-01

    Hard surfaced polymers and the method for making them are generally described. Polymers are subjected to simultaneous multiple ion beam bombardment, that results in a hardening of the surface, improved wear resistance, and improved oxygen erosion resistance.

  3. Plasma-Engraved Co3 O4 Nanosheets with Oxygen Vacancies and High Surface Area for the Oxygen Evolution Reaction.

    Science.gov (United States)

    Xu, Lei; Jiang, Qianqian; Xiao, Zhaohui; Li, Xingyue; Huo, Jia; Wang, Shuangyin; Dai, Liming

    2016-04-18

    Co3 O4 , which is of mixed valences Co(2+) and Co(3+) , has been extensively investigated as an efficient electrocatalyst for the oxygen evolution reaction (OER). The proper control of Co(2+) /Co(3+) ratio in Co3 O4 could lead to modifications on its electronic and thus catalytic properties. Herein, we designed an efficient Co3 O4 -based OER electrocatalyst by a plasma-engraving strategy, which not only produced higher surface area, but also generated oxygen vacancies on Co3 O4 surface with more Co(2+) formed. The increased surface area ensures the Co3 O4 has more sites for OER, and generated oxygen vacancies on Co3 O4 surface improve the electronic conductivity and create more active defects for OER. Compared to pristine Co3 O4 , the engraved Co3 O4 exhibits a much higher current density and a lower onset potential. The specific activity of the plasma-engraved Co3 O4 nanosheets (0.055 mA cm(-2) BET at 1.6 V) is 10 times higher than that of pristine Co3 O4 , which is contributed by the surface oxygen vacancies. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. 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.

  5. Reactive-ion etching of nylon fabric meshes using oxygen plasma for creating surface nanostructures

    International Nuclear Information System (INIS)

    Salapare, Hernando S.; Darmanin, Thierry; Guittard, Frédéric

    2015-01-01

    Graphical abstract: - Highlights: • Reactive-ion etching (RIE) is employed to nylon 6,6 fabrics to achieve surface texturing and improved wettability. • FTIR spectra of the treated samples exhibited decreased transmittance of amide and carboxylic acid groups due to etching. • Etching is enhanced for higher power plasma treatments and for samples with larger mesh sizes. • Decreased crystallinity was achieved after plasma treatment. • Higher power induced higher negative DC self-bias voltage on the samples that favored anisotropic and aggressive etching. - Abstract: A facile one-step oxygen plasma irradiation in reactive ion etching (RIE) configuration is employed to nylon 6,6 fabrics with different mesh sizes to achieve surface nanostructures and improved wettability for textile and filtration applications. To observe the effects of power and irradiation time on the samples, the experiments were performed using constant irradiation time in varying power and using constant power in varying irradiation times. Results showed improved wettability after the plasma treatment. The FTIR spectra of all the treated samples exhibited decreased transmittance of the amide and carboxylic acid groups due to surface etching. The changes in the surface chemistry are supported by the SEM data wherein etching and surface nanostructures were observed for the plasma-treated samples. The etching of the surfaces is enhanced for higher power plasma treatments. The thermal analysis showed that the plasma treatment resulted in decreased crystallinity. Surface chemistry showed that the effects of the plasma treatment on the samples have no significant difference for all the mesh sizes. However, surface morphology showed that the sizes of the surface cracks are the same for all the mesh sizes but samples with larger mesh sizes exhibited enhanced etching as compared to the samples with smaller mesh sizes. Higher power induced higher negative DC self-bias voltage on the samples that

  6. Effects of Oxygen Partial Pressure on the Surface Tension of Liquid Nickel

    Science.gov (United States)

    SanSoucie, Michael P.; Rogers, Jan R.; Gowda, Vijaya Kumar Malahalli Shankare; Rodriguez, Justin; Matson, Douglas M.

    2015-01-01

    The NASA Marshall Space Flight Center's electrostatic levitation (ESL) laboratory has been recently upgraded with an oxygen partial pressure controller. This system allows the oxygen partial pressure within the vacuum chamber to be measured and controlled, theoretically in the range from 10-36 to 100 bar. The oxygen control system installed in the ESL laboratory's main chamber consists of an oxygen sensor, oxygen pump, and a control unit. The sensor is a potentiometric device that determines the difference in oxygen activity in two gas compartments (inside the chamber and the air outside of the chamber) separated by an electrolyte, which is yttria-stabilized zirconia. The pump utilizes coulometric titration to either add or remove oxygen. The system is controlled by a desktop control unit, which can also be accessed via a computer. The controller performs temperature control for the sensor and pump, PID-based current loop, and a control algorithm. Oxygen partial pressure has been shown to play a significant role in the surface tension of liquid metals. Oxide films or dissolved oxygen may lead to significant changes in surface tension. The effects of oxygen partial pressure on the surface tension of undercooled liquid nickel will be analyzed, and the results will be presented. The surface tension will be measured at several different oxygen partial pressures while the sample is undercooled. Surface tension will be measured using the oscillating drop method. While undercooled, each sample will be oscillated several times consecutively to investigate how the surface tension behaves with time while at a particular oxygen partial pressure.

  7. Adsorption of oxygen atom on MoSi{sub 2} (110) surface

    Energy Technology Data Exchange (ETDEWEB)

    Sun, S.P., E-mail: sunshunping@jsut.edu.cn [School of Materials Engineering, Jiangsu University of Technology, Changzhou 213001 (China); Li, X.P.; Wang, H.J. [School of Materials Engineering, Jiangsu University of Technology, Changzhou 213001 (China); Jiang, Y., E-mail: yjiang@csu.edu.cn [School of Materials Science and Engineering, and Key Laboratory for Non-ferrous Materials of Ministry of Education, Central South University, Changsha 410083 (China); Yi, D.Q. [School of Materials Science and Engineering, and Key Laboratory for Non-ferrous Materials of Ministry of Education, Central South University, Changsha 410083 (China)

    2016-09-30

    Highlights: • The adsorption of oxygen atom on MoSi{sub 2} (110) surface was studied systematically. • The stability of MoSi{sub 2} low-index surfaces was also investigated. • The preference adsorption site of MoSi{sub 2} (110) surface for oxygen atom was H site. - Abstract: The adsorption energy, structural relaxation and electronic properties of oxygen atom on MoSi{sub 2} (110) surface have been investigated by first-principles calculations. The energetic stability of MoSi{sub 2} low-index surfaces was analyzed, and the results suggested that MoSi{sub 2} (110) surface had energetically stability. The site of oxygen atom adsorbed on MoSi{sub 2} (110) surface were discussed, and the results indicated that the preference adsorption site of MoSi{sub 2} (110) surface for oxygen atom was H site (hollow position). Our calculated work should help to understand further the interaction between oxygen atoms and MoSi{sub 2} surfaces.

  8. Universality in Oxygen Reduction Electrocatalysis on Metal Surfaces

    DEFF Research Database (Denmark)

    Viswanathan, Venkatasubramanian; Hansen, Heine Anton; Rossmeisl, Jan

    2012-01-01

    In this work, we extend the activity volcano for oxygen reduction from the face-centered cubic (fcc) metal (111) facet to the (100) facet. Using density functional theory calculations, we show that the recent findings of constant scaling between OOH* and OH* holds on the fcc metal (100) facet, as...

  9. Surface functional group characterization using chemical derivatization X-ray photoelectron spectroscopy (CD-XPS)

    Energy Technology Data Exchange (ETDEWEB)

    Jagst, Eda

    2011-03-18

    Chemical derivatization - X-ray photolectron spectroscopy (CD-XPS) was applied successfully in order to determine different functional groups on thin film surfaces. Different amino group carrying surfaces, prepared by spin coating, self-assembly and plasma polymerization, were successfully investigated by (XPS) and near edge X-ray absorption fine structure (NEXAFS) spectroscopy. Amino groups were derivatized with the widely used primary amino group tags, pentafluorobenzaldehyde (PFB) and 4-(trifluoromethyl)-benzaldehyde (TFBA), prior to analysis. Primary amino group quantification was then carried out according to the spectroscopical data. Self-assembled monolayers (SAMs) of different terminal groups were prepared and investigated with XPS and spectra were compared with reference surfaces. An angle resolved NEXAFS measurement was applied to determine the orientation of SAMs. Plasma polymerized allylamine samples with different duty cycle, power and pressure values were prepared in order to study the effects of external plasma parameters on the primary amino group retention. CD-XPS was used to quantify the amino groups and experiments show, that the milder plasma conditions promote the retention of amino groups originating from the allylamine monomer. An interlaboratory comparison of OH group determination on plasma surfaces of polypropylene treated with oxygen plasma, was studied. The surfaces were investigated with XPS and the [OH] amount on the surfaces was calculated. (orig.)

  10. Photo-oxidation : Major sink of oxygen in the ocean surface layer

    NARCIS (Netherlands)

    Gieskes, W. W. C.; Laane, R. W. P. M.; Ruardij, P.

    2015-01-01

    Evidence is presented that the oxygen demand associated with photochemical processes in the surface layer of oceans and seas worldwide is of the same order of magnitude as the amount of oxygen released by photosynthesis of the world's marine phytoplankton. Both estimates are of necessity quite rough

  11. Photo-oxidation: Major sink of oxygen in the ocean surface layer

    NARCIS (Netherlands)

    Gieskes, W.W.C.; Laane, R.W.P.M.; Ruardij, P.

    2015-01-01

    Evidence is presented that the oxygen demand associated with photochemical processes in the surface layer of oceans and seas worldwide is of the same order of magnitude as the amount of oxygen released by photosynthesis of the world's marine phytoplankton. Both estimates are of necessity quite rough

  12. Probing adsorption phenomena on a single crystal Pt-alloy surface under oxygen reduction reaction conditions

    DEFF Research Database (Denmark)

    Bondarenko, Alexander S.; Stephens, Ifan E.L.; Bech, Lone

    2012-01-01

    The adsorption dynamics of *OH and *O species at Pt(111) and Cu/Pt(111) near-surface alloy (NSA) surfaces in oxygen-free and O2-saturated 0.1M HClO4 was investigated. Subsurface Cu modifies the electronic structure at the Pt(111) surface resulting in weaker bonding to adsorbates like *OH, *H or *...

  13. Oxygen dosing the surface of SrTiO{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-07-01

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

  14. First principles study of dissolved oxygen water adsorption on Fe (001 surfaces

    Directory of Open Access Journals (Sweden)

    Dong ZHANG

    2018-02-01

    Full Text Available In order to study the mechanism of dissolved oxygen content on the surface corrosion behavior of Fe-based heat transfer, the first principle is used to study the adsorption of O2 monomolecular, H2O monolayer and dissolved oxygen system on Fe-based heat transfer surface. The GGA/PBE approximation is used to calculate the adsorption energy, state density and population change during the adsorption process. Calculations prove that when the dissolved oxygen is adsorbed on the Fe-based surface, the water molecule tends to adsorb at the top sites, and the oxygen molecule tends to adsorb at Griffiths. When the H2O molecule adsorbs and interacts on the Fe (001 surface, the charge distribution of the interfacial double electric layer changes to cause the Fe atoms to lose electrons, resulting in the change of the surface potential. When the O2 molecule adsorbs on the Fe (001 crystal surfaces, the electrons on the Fe (001 surface are lost and the surface potential increases. O2 molecule and the surface of the Fe atoms are prone to electron transfer, in which O atom's 2p orbit for the adsorption of O2 molecule on Fe (001 crystal surface play a major role. With the increase of the proportion of O2 molecule in the dissolved oxygen water, the absolute value of the adsorption energy increases, and the interaction of the Fe-based heat transfer surface is stronger. This study explores the influence law of different dissolved oxygen on the Fe base heat exchange surface corrosion, and the base metal corrosion mechanism for experimental study provides a theoretical reference.

  15. The effect of plutonium dioxide water surface coverage on the generation of hydrogen and oxygen

    Energy Technology Data Exchange (ETDEWEB)

    Veirs, Douglas K. [Los Alamos National Laboratory; Berg, John M. [Los Alamos National Laboratory; Crowder, Mark L. [Savannah River National Laboratory

    2012-06-20

    The conditions for the production of oxygen during radiolysis of water adsorbed onto plutonium dioxide powder are discussed. Studies in the literature investigating the radiolysis of water show that both oxygen and hydrogen can be generated from water adsorbed on high-purity plutonium dioxide powder. These studies indicate that there is a threshold in the amount of water below which oxygen is not generated. The threshold is associated with the number of monolayers of adsorbed water and is shown to occur at approximately two monolayers of molecularly adsorbed water. Material in equilibrium with 50% relative humidity (RH) will be at the threshold for oxygen generation. Using two monolayers of molecularly adsorbed water as the threshold for oxygen production, the total pressure under various conditions is calculated assuming stoichiometric production of hydrogen and oxygen. The specific surface area of the oxide has a strong effect on the final partial pressure. The specific surface areas resulting in the highest pressures within a 3013 container are evaluated. The potential for oxygen generation is mitigated by reduced relative humidity, and hence moisture adsorption, at the oxide surface which occurs if the oxide is warmer than the ambient air. The potential for oxygen generation approaches zero as the temperature difference between the ambient air and the material approaches 6 C.

  16. XPS study of PBO fiber surface modified by incorporation of hydroxyl polar groups in main chains

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Tao; Hu Dayong; Jin Junhong; Yang Shenglin [State Key Laboratory for Modification of Chemical Fibers and Polymer Materials, College of Material Science and Engineering, Donghua University, Shanghai 201620 (China); Li Guang, E-mail: lig@dhu.edu.cn [State Key Laboratory for Modification of Chemical Fibers and Polymer Materials, College of Material Science and Engineering, Donghua University, Shanghai 201620 (China); Jiang Jianming [State Key Laboratory for Modification of Chemical Fibers and Polymer Materials, College of Material Science and Engineering, Donghua University, Shanghai 201620 (China)

    2010-01-15

    Dihydroxy poly(p-phenylene benzobisoxazole) (DHPBO), a modified poly(p-phenylene benzoxazole) (PBO) polymer containing double hydroxyl groups in polymer chains, was synthesized by copolymerization of 4,6-diamino resorcinol dihydrochloride (DAR), purified terephthalic acid (TA) and 2,5-dihydroxyterephthalic acid (DHTA). DHPBO fibers were prepared by dry-jet wet-spinning method. The effects of hydroxyl polar groups on the surface elemental compositions of PBO fiber were investigated by X-ray photoelectron spectroscopy (XPS). The results show that the ratio of oxygen/carbon on the surface of DHPBO fibers is higher than that on the surface of PBO fibers, which indicates the content of polar groups on the surface of DHPBO fiber increase compared with PBO fiber.

  17. The XPS study of physical and chemical forms of neptunium group on the surface of minerals

    Directory of Open Access Journals (Sweden)

    Teterin Anton Yu.

    2010-01-01

    Full Text Available The sorption behavior and the physical and chemical forms of neptunium on the surface of minerals of the two chlorate samples, biotite and kaolin, with different contents of Fe(II was studied. The liquid-liquid extraction and the X-ray photoelectron spectroscopy were employed to identify the valence forms of neptunium. On the basis of the obtained data the quantitative elemental composition of the surface of the studied minerals, as well as the ionic composition of the formed neptunium complexes was determined. It was shown that the Np(IV and Np(VI containing compounds did not form, while the complexes Np(VO+ -hydroxyl did form on the surface. The oxygen ions bonded with iron and oxygen belonging to water and/or of carboxyl were suggested to be present in the equatorial plane of the neptunyl group NpO+.

  18. Nitrogen cycling across the Peruvian oxygen minimum zone surface sediments

    Science.gov (United States)

    Sommer, S.; Bohlen, L.; Dale, A. W.; Wallmann, K.; Noffke, A.; Hensen, C.; Mosch, T.; Pfannkuche, O.

    2012-04-01

    Oxygen minimum zones (OMZ) are key regions for pelagic and benthic nitrogen turnover. During Meteor cruise M77 (Oct. - Dec. 2008) benthic nitrogen cycling along a latitudinal depth transect (85 to 1000 m) across the Peruvian OMZ at 11°S was studied involving in situ flux measurements, pore water geochemistry as well as diagenetic modeling. Along this transect bottom water oxygen levels were minor importance on the shelf and upper slope but was the dominant N sink at 1000 m. Mass balance calculations as well as modeling indicate that dissimilatory nitrate reduction to ammonium (DNRA) by sulfur bacteria and ammmonification were the main source pathways for ammonium to the bottom water, yielding release rates of up to 4.6 mmol m-2 d-1. DNRA retains DIN within the ecosystem and counteracts the removal of DIN via denitrification and/or anammox. This finding is in contrast to the current opinion that slope sediments in general represent major sinks for DIN.

  19. Improved thrombogenicity on oxygen etched Ti6Al4V surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Riedel, Nicholas A. [Department of Mechanical Engineering, Colorado State University, Fort Collins, CO 80523 (United States); Smith, Barbara S. [School of Biomedical Engineering, Colorado State University, Fort Collins, CO 80523 (United States); Williams, John D. [Department of Mechanical Engineering, Colorado State University, Fort Collins, CO 80523 (United States); Popat, Ketul C., E-mail: ketul.popat@colostate.edu [Department of Mechanical Engineering, Colorado State University, Fort Collins, CO 80523 (United States); School of Biomedical Engineering, Colorado State University, Fort Collins, CO 80523 (United States)

    2012-07-01

    Thrombus formation on blood contacting biomaterials continues to be a key factor in initiating a critical mode of failure in implantable devices, requiring immediate attention. In the interest of evaluating a solution for one of the most widely used biomaterials, titanium and its alloys, this study focuses on the use of a novel surface oxidation treatment to improve the blood compatibility. This study examines the possibility of using oblique angle ion etching to produce a high quality oxide layer that enhances blood compatibility on medical grade titanium alloy Ti6Al4V. An X-ray photoelectron spectroscopy (XPS) analysis of these oxygen-rich surfaces confirmed the presence of TiO{sub 2} peaks and also indicated increased surface oxidation as well as a reduction in surface defects. After 2 h of contact with whole human plasma, the oxygen etched substrates demonstrated a reduction in both platelet adhesion and activation as compared to bare titanium substrates. The whole blood clotting behavior was evaluated for up to 45 min, showing a significant decrease in clot formation on oxygen etched substrates. Finally, a bicinchoninic acid (BCA) total protein assay and XPS were used to evaluate the degree of key blood serum protein (fibrinogen, albumin, immunoglobulin G) adsorption on the substrates. The results showed similar protein levels for both the oxygen etched and control substrates. These results indicate that oblique angle oxygen etching may be a promising method to increase the thrombogenicity of Ti6Al4V. - Highlights: Black-Right-Pointing-Pointer Oblique angle oxygen ion etching creates a high quality, uniform oxide surface. Black-Right-Pointing-Pointer Oxygen etched substrates showed fewer adhered platelets. Black-Right-Pointing-Pointer Platelet activation was reduced by the improved oxide surface. Black-Right-Pointing-Pointer Oxygen etched substrates exhibited increased whole blood clotting times. Black-Right-Pointing-Pointer Although clotting reductions were

  20. Surface texturing of superconductors by controlled oxygen pressure

    Science.gov (United States)

    Chen, N.; Goretta, K.C.; Dorris, S.E.

    1999-01-05

    A method of manufacture of a textured layer of a high temperature superconductor on a substrate is disclosed. The method involves providing an untextured high temperature superconductor material having a characteristic ambient pressure peritectic melting point, heating the superconductor to a temperature below the peritectic temperature, establishing a reduced pO{sub 2} atmosphere below ambient pressure causing reduction of the peritectic melting point to a reduced temperature which causes melting from an exposed surface of the superconductor and raising pressure of the reduced pO{sub 2} atmosphere to cause solidification of the molten superconductor in a textured surface layer. 8 figs.

  1. Oxygen adsorption on the Al₉Co₂(001) surface: first-principles and STM study.

    Science.gov (United States)

    Villaseca, S Alarcón; Loli, L N Serkovic; Ledieu, J; Fournée, V; Gille, P; Dubois, J-M; Gaudry, E

    2013-09-04

    Atomic oxygen adsorption on a pure aluminum terminated Al9Co2(001) surface is studied by first-principle calculations coupled with STM measurements. Relative adsorption energies of oxygen atoms have been calculated on different surface sites along with the associated STM images. The local electronic structure of the most favourable adsorption site is described. The preferential adsorption site is identified as a 'bridge' type site between the cluster entities exposed at the (001) surface termination. The Al-O bonding between the adsorbate and the substrate presents a covalent character, with s-p hybridization occurring between the states of the adsorbed oxygen atom and the aluminum atoms of the surface. The simulated STM image of the preferential adsorption site is in agreement with experimental observations. This work shows that oxygen adsorption generates important atomic relaxations of the topmost surface layer and that sub-surface cobalt atoms strongly influence the values of the adsorption energies. The calculated Al-O distances are in agreement with those reported in Al2O and Al2O3 oxides and for oxygen adsorption on Al(111).

  2. Late Quaternary changes in surface productivity and oxygen ...

    Indian Academy of Sciences (India)

    The increased relative abundances of high fertility taxa, i.e., Globigerinita glutinata and Globigerina bulloides mainly during interglacial intervals indicate intense upwelling. Strong SW summer monsoon probably increased the upwelling in the western Arabian Sea during interglacial intervals and caused high surface ...

  3. ATOMIC POSITIONS ON OXYGEN-COVERED CU(110) SURFACES

    NARCIS (Netherlands)

    DORENBOS, G; BREEMAN, M; BOERMA, DO

    The reconstructed Cu(110)-p(2 x 1)O and Cu(110)-c(6 x 2)O surfaces were studied using low-energy ion scattering combined with time of flight. Azimuthal scans were measured with 6 keV Ar ions for recoiling O, scattered Ar and recoiling Cu atoms. Part of the scans were analysed using a newly developed

  4. Sorption of oxygen on Cu(111)-Ni surfaces and its reaction with hydrogen

    NARCIS (Netherlands)

    Mesters, C.M.A.M.; Koster, A. de; Gijzeman, O.L.J.; Geus, John W.

    1984-01-01

    The interaction of O2 with a Cu(111)-Ni alloy and the reaction of sorbed oxygen with H2 has been investigated with ellipsometry and AES. The surface alloys were prepared by dissociation of nickel carbonyl on a clean Cu(111) surface. Sorption of O2 can be described by a precursor state model for

  5. Spectroscopic ellipsometric investigation of clean and oxygen covered copper single crystal surfaces

    NARCIS (Netherlands)

    Hanekamp, L.J.; Lisowski, W.F.; Bootsma, G.A.

    1982-01-01

    Spectroscopic ellipsometric measurements (400–820 nm) have been performed on clean and oxygen covered Cu(110) and Cu(111) surfaces in an AES-LEED UHV system. The complex dielectric functions of the clean surfaces were calculated from measurements between room temperature and 600 K. In contrast with

  6. Evolution of Oxygen Deficiency Center on Fused Silica Surface Irradiated by Ultraviolet Laser and Posttreatment

    Directory of Open Access Journals (Sweden)

    Hai-Bing Lü

    2014-01-01

    Full Text Available Evolution of oxygen deficiency centers (ODCs on a fused silica surface irradiated using a 355 nm ultraviolet (UV laser beam in both vacuum and atmospheric conditions was quantitatively studied using photoluminescence and X-ray photoelectron spectroscopy. When the fusedsilica surface was exposed to the UV laser in vacuum, the laser damage threshold was decreased whereas the concentration of the ODCs was increased. For the fuse silica operated under the high power lasers, creation of ODCs on their surface resulted from the UV laser irradiation, and this is more severe in a high vacuum. The laser fluence and/or laser intensity have significant effects on the increase of the ODCs concentration. The ODCs can be effectively repaired using postoxygen plasma treatment and UV laser irradiation in an excessive oxygen environment. Results also demonstrated that the “gain” and “loss” of oxygen at the silica surface is a reversible and dynamic process.

  7. Intersections of adelic groups on a surface

    International Nuclear Information System (INIS)

    Budylin, R Ya; Gorchinskiy, S O

    2013-01-01

    We solve a technical problem related to adeles on an algebraic surface. Given a finite set of natural numbers, one can associate with it an adelic group. We show that this operation commutes with taking intersections if the surface is defined over an uncountable field, and we provide a counterexample otherwise. Bibliography: 12 titles

  8. Technologies for protection of the Space Station power system surfaces in atomic oxygen environment

    Science.gov (United States)

    Nahra, Henry K.; Rutledge, Sharon K.

    1988-01-01

    Technologies for protecting Space Station surfaces from degradation caused by atomic oxygen are discussed, stressing protection of the power system surfaces. The Space Station power system is described and research concerning the solar array surfaces and radiator surfaces is examined. The possibility of coating the solar array sufaces with a sputter deposited thin film of silicon oxide containing small concentrations of polytetrafluoroethylene is presented. Hexamethyldisiloxane coating for these surfaces is also considered. For the radiator surfaces, possible coatings include silver teflon thermal coating and zinc orthotitanate.

  9. Effects of chemical functional groups on elemental mercury adsorption on carbonaceous surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Liu Jing, E-mail: liujing27@mail.hust.edu.cn [State Key Laboratory of Coal Combustion, Huazhong University of Science and Technology, Wuhan 430074 (China); Cheney, Marcos A. [Department of Natural Sciences, University of Maryland Eastern Shore, Princess Anne, MD 21853 (United States); Wu Fan; Li Meng [State Key Laboratory of Coal Combustion, Huazhong University of Science and Technology, Wuhan 430074 (China)

    2011-02-15

    A systematic theoretical study using density functional theory is performed to provide molecular-level understanding of the effects of chemical functional groups on mercury adsorption on carbonaceous surfaces. The zigzag and armchair edges were used in modeling the carbonaceous surfaces to simulate different adsorption sites. The edge atoms on the upper side of the models are unsaturated to simulate active sites. All calculations (optimizations, energies, and frequencies) were made at B3PW91 density functional theory level, using RCEP60VDZ basis set for mercury and 6-31G(d) pople basis set for other atoms. The results indicate that the embedding of halogen atom can increase the activity of its neighboring site which in turn increases the adsorption capacity of the carbonaceous surface for Hg{sup 0}. The adsorption belongs to chemisorptions, which is in good agreement with the experimental results. For the effects of oxygen functional groups, lactone, carbonyl and semiquinone favor Hg{sup 0} adsorption because they increase the neighboring site's activity for mercury adsorption. On the contrary, phenol and carboxyl functional groups show a physisorption of Hg{sup 0}, and reduce Hg capture. This result can explain the seemingly conflicting experimental results reported in the literature concerning the influence of oxygen functional groups on mercury adsorption on carbonaceous surface.

  10. Surface Oxidation of AuNi Heterodimers to Achieve High Activities toward Hydrogen/Oxygen Evolution and Oxygen Reduction Reactions.

    Science.gov (United States)

    Ni, Bing; He, Peng; Liao, Wenxin; Chen, Shuangming; Gu, Lin; Gong, Yue; Wang, Kai; Zhuang, Jing; Song, Li; Zhou, Gang; Wang, Xun

    2018-04-01

    Although much attention has been paid to the exploration of highly active electrocatalysts, especially catalysts for hydrogen evolution reaction (HER), oxygen evolution reaction (OER) and oxygen reduction reaction (ORR), the development of multifunctional catalysts remains a challenge. Here, we utilize AuNi heterodimers as the starting materials to achieve high activities toward HER, OER and ORR. The HER and ORR activities in an alkali environment are similar to those of Pt catalysts, and the OER activity is very high and better than that of commercial IrO 2 . Both the experimental and calculated results suggest that the surface oxidation under oxidative conditions is the main reason for the different activities. The NiO/Ni interface which exists in the as-synthesized heterodimers contributes to high HER activity, the Ni(OH) 2 -Ni-Au interface and the surface Ni(OH) 2 obtained in electrochemical conditons gives rise to promising ORR and OER activities, respectively. As a comparison, a Au@Ni core-shell structure is also synthesized and examined. The core-shell structure shows lower activities for HER and OER than the heterodimers, and reduces O 2 selectively to H 2 O 2 . The work here allows for the development of a method to design multifunctional catalysts via the partial oxidation of a metal surface to create different active centers. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Effects of atomic oxygen irradiation on the surface properties of phenolphthalein poly(ether sulfone)

    International Nuclear Information System (INIS)

    Pei Xianqiang; Li Yan; Wang Qihua; Sun Xiaojun

    2009-01-01

    To study the effects of low earth orbit environment on the surface properties of polymers, phenolphthalein poly(ether sulfone) (PES-C) blocks were irradiated by atomic oxygen in a ground-based simulation system. The surface properties of the pristine and irradiated blocks were studied by attenuated total-reflection FTIR (FTIR-ATR), X-ray photoelectron spectroscopy (XPS), scanning electron microscope (SEM). It was found that atomic oxygen irradiation induced the destruction of PES-C molecular chains, including the scission and oxidation of PES-C molecular chains, as evidenced by FTIR and XPS results. The scission of PES-C molecular chains decreased the relative concentration of C in the surface, while the oxidation increased the relative concentration of O in the surface. The changes in surface chemical structure and composition also changed the surface morphology of the block, which shifted from smooth structure before irradiation to 'carpet-like' structure after irradiation

  12. Effects of atomic oxygen irradiation on the surface properties of phenolphthalein poly(ether sulfone)

    Energy Technology Data Exchange (ETDEWEB)

    Pei Xianqiang [State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, No. 18, Tianshui Middle Road, Lanzhou 730000 (China); Li Yan [State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, No. 18, Tianshui Middle Road, Lanzhou 730000 (China); Graduate school of the Chinese Academy of Sciences, Beijing 100039 (China); Wang Qihua [State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, No. 18, Tianshui Middle Road, Lanzhou 730000 (China)], E-mail: Wangqh@lzb.ac.cn; Sun Xiaojun [State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, No. 18, Tianshui Middle Road, Lanzhou 730000 (China)

    2009-03-15

    To study the effects of low earth orbit environment on the surface properties of polymers, phenolphthalein poly(ether sulfone) (PES-C) blocks were irradiated by atomic oxygen in a ground-based simulation system. The surface properties of the pristine and irradiated blocks were studied by attenuated total-reflection FTIR (FTIR-ATR), X-ray photoelectron spectroscopy (XPS), scanning electron microscope (SEM). It was found that atomic oxygen irradiation induced the destruction of PES-C molecular chains, including the scission and oxidation of PES-C molecular chains, as evidenced by FTIR and XPS results. The scission of PES-C molecular chains decreased the relative concentration of C in the surface, while the oxidation increased the relative concentration of O in the surface. The changes in surface chemical structure and composition also changed the surface morphology of the block, which shifted from smooth structure before irradiation to 'carpet-like' structure after irradiation.

  13. Effects of atomic oxygen irradiation on the surface properties of phenolphthalein poly(ether sulfone)

    Science.gov (United States)

    Pei, Xianqiang; Li, Yan; Wang, Qihua; Sun, Xiaojun

    2009-03-01

    To study the effects of low earth orbit environment on the surface properties of polymers, phenolphthalein poly(ether sulfone) (PES-C) blocks were irradiated by atomic oxygen in a ground-based simulation system. The surface properties of the pristine and irradiated blocks were studied by attenuated total-reflection FTIR (FTIR-ATR), X-ray photoelectron spectroscopy (XPS), scanning electron microscope (SEM). It was found that atomic oxygen irradiation induced the destruction of PES-C molecular chains, including the scission and oxidation of PES-C molecular chains, as evidenced by FTIR and XPS results. The scission of PES-C molecular chains decreased the relative concentration of C in the surface, while the oxidation increased the relative concentration of O in the surface. The changes in surface chemical structure and composition also changed the surface morphology of the block, which shifted from smooth structure before irradiation to "carpet-like" structure after irradiation.

  14. Feasibility Analysis of Liquefying Oxygen Generated from Water Electrolysis Units on Lunar Surface

    Science.gov (United States)

    Jeng, Frank F.

    2009-01-01

    Concepts for liquefying oxygen (O2) generated from water electrolysis subsystems on the Lunar surface were explored. Concepts for O2 liquefaction units capable of generating 1.38 lb/hr (0.63 kg/hr) liquid oxygen (LOX) were developed. Heat and mass balance calculations for the liquefaction concepts were conducted. Stream properties, duties of radiators, heat exchangers and compressors for the selected concepts were calculated and compared.

  15. Surface field theories of point group symmetry protected topological phases

    Science.gov (United States)

    Huang, Sheng-Jie; Hermele, Michael

    2018-02-01

    We identify field theories that describe the surfaces of three-dimensional bosonic point group symmetry protected topological (pgSPT) phases. The anomalous nature of the surface field theories is revealed via a dimensional reduction argument. Specifically, we study three different surface field theories. The first field theory is quantum electrodynamics in three space-time dimensions (QED3) with four flavors of fermions. We show this theory can describe the surfaces of a majority of bosonic pgSPT phases protected by a single mirror reflection, or by Cn v point group symmetry for n =2 ,3 ,4 ,6 . The second field theory is a variant of QED3 with charge-1 and charge-3 Dirac fermions. This field theory can describe the surface of a reflection symmetric pgSPT phase built by placing an E8 state on the mirror plane. The third field theory is an O (4 ) nonlinear sigma model with a topological theta term at θ =π , or, equivalently, a noncompact CP1 model. Using a coupled wire construction, we show this is a surface theory for bosonic pgSPT phases with U (1 ) ×Z2P symmetry. For the latter two field theories, we discuss the connection to gapped surfaces with topological order. Moreover, we conjecture that the latter two field theories can describe surfaces of more general bosonic pgSPT phases with Cn v point group symmetry.

  16. Surface-Selective Preferential Production of Reactive Oxygen Species on Piezoelectric Ceramics for Bacterial Killing

    OpenAIRE

    Tan, Guoxin; Wang, Shuangying; Zhu, Ye; Zhou, Lei; Yu, Peng; Wang, Xiaolan; He, Tianrui; Chen, Junqi; Mao, Chuanbin; Ning, Chengyun

    2016-01-01

    Reactive oxygen species (ROS) can be used to kill bacterial cells, and thus the selective generation of ROS from material surfaces is an emerging direction in antibacterial material discovery. We found the polarization of piezoelectric ceramic causes the two sides of the disk to become positively and negatively charged, which translate into cathode and anode surfaces in an aqueous solution. Because of the microelectrolysis of water, ROS are preferentially formed on the cathode surface. Conseq...

  17. Kinetic Consequences of Chemisorbed Oxygen Atoms during Methane Oxidation on Group VIII Metal Clusters

    OpenAIRE

    Chin, Ya Huei

    2011-01-01

    Molecular insights and the kinetic relevance of reaction elementary steps for methane activation on Group VIII metal and oxide clusters are established based on kinetic, isotopic, and theoretical assessments. These fundamental understandings enable accurate prediction of complex rate dependencies and cluster size effects during methane conversion reactions in catalytic partial oxidation, reforming, and combustion processes.Kinetics of methane reactions with oxygen are described by several reg...

  18. Adsorption of atomic nitrogen and oxygen on [Formula: see text] surface: a density functional theory study.

    Science.gov (United States)

    Breedon, M; Spencer, M J S; Yarovsky, I

    2009-04-08

    The adsorption of atomic nitrogen and oxygen on the ([Formula: see text]) crystal face of zinc oxide (ZnO) was studied. Binding energies, workfunction changes, vibrational frequencies, charge density differences and electron localization functions were calculated. It was elucidated that atomic oxygen binds more strongly than nitrogen, with the most stable [Formula: see text] structure exhibiting a binding energy of -2.47 eV, indicating chemisorption onto the surface. Surface reconstructions were observed for the most stable minima of both atomic species. Positive workfunction changes were calculated for both adsorbed oxygen and nitrogen if the adsorbate interacted with zinc atoms. Negative workfunction changes were calculated when the adsorbate interacted with both surface oxygen and zinc atoms. Interactions between the adsorbate and the surface zinc atoms resulted in ionic-type bonding, whereas interactions with oxygen atoms were more likely to result in the formation of covalent-type bonding. The positive workfunction changes correlate with an experimentally observed increase in resistance of ZnO conductometric sensor devices.

  19. Surface recombination of oxygen atoms in O2 plasma at increased pressure: II. Vibrational temperature and surface production of ozone

    Science.gov (United States)

    Lopaev, D. V.; Malykhin, E. M.; Zyryanov, S. M.

    2011-01-01

    Ozone production in an oxygen glow discharge in a quartz tube was studied in the pressure range of 10-50 Torr. The O3 density distribution along the tube diameter was measured by UV absorption spectroscopy, and ozone vibrational temperature TV was found comparing the calculated ab initio absorption spectra with the experimental ones. It has been shown that the O3 production mainly occurs on a tube surface whereas ozone is lost in the tube centre where in contrast the electron and oxygen atom densities are maximal. Two models were used to analyse the obtained results. The first one is a kinetic 1D model for the processes occurring near the tube walls with the participation of the main particles: O(3P), O2, O2(1Δg) and O3 molecules in different vibrational states. The agreement of O3 and O(3P) density profiles and TV calculated in the model with observed ones was reached by varying the single model parameter—ozone production probability (\\gamma_{O_{3}}) on the quartz tube surface on the assumption that O3 production occurs mainly in the surface recombination of physisorbed O(3P) and O2. The phenomenological model of the surface processes with the participation of oxygen atoms and molecules including singlet oxygen molecules was also considered to analyse \\gamma_{O_{3}} data obtained in the kinetic model. A good agreement between the experimental data and the data of both models—the kinetic 1D model and the phenomenological surface model—was obtained in the full range of the studied conditions that allowed consideration of the ozone surface production mechanism in more detail. The important role of singlet oxygen in ozone surface production was shown. The O3 surface production rate directly depends on the density of physisorbed oxygen atoms and molecules and can be high with increasing pressure and energy inputted into plasma while simultaneously keeping the surface temperature low enough. Using the special discharge cell design, such an approach opens up the

  20. Surface recombination of oxygen atoms in O2 plasma at increased pressure: II. Vibrational temperature and surface production of ozone

    International Nuclear Information System (INIS)

    Lopaev, D V; Malykhin, E M; Zyryanov, S M

    2011-01-01

    Ozone production in an oxygen glow discharge in a quartz tube was studied in the pressure range of 10-50 Torr. The O 3 density distribution along the tube diameter was measured by UV absorption spectroscopy, and ozone vibrational temperature T V was found comparing the calculated ab initio absorption spectra with the experimental ones. It has been shown that the O 3 production mainly occurs on a tube surface whereas ozone is lost in the tube centre where in contrast the electron and oxygen atom densities are maximal. Two models were used to analyse the obtained results. The first one is a kinetic 1D model for the processes occurring near the tube walls with the participation of the main particles: O( 3 P), O 2 , O 2 ( 1 Δ g ) and O 3 molecules in different vibrational states. The agreement of O 3 and O( 3 P) density profiles and T V calculated in the model with observed ones was reached by varying the single model parameter-ozone production probability (γ O 3 ) on the quartz tube surface on the assumption that O 3 production occurs mainly in the surface recombination of physisorbed O( 3 P) and O 2 . The phenomenological model of the surface processes with the participation of oxygen atoms and molecules including singlet oxygen molecules was also considered to analyse γ O 3 data obtained in the kinetic model. A good agreement between the experimental data and the data of both models-the kinetic 1D model and the phenomenological surface model-was obtained in the full range of the studied conditions that allowed consideration of the ozone surface production mechanism in more detail. The important role of singlet oxygen in ozone surface production was shown. The O 3 surface production rate directly depends on the density of physisorbed oxygen atoms and molecules and can be high with increasing pressure and energy inputted into plasma while simultaneously keeping the surface temperature low enough. Using the special discharge cell design, such an approach opens up

  1. Riemann surfaces, Clifford algebras and infinite dimensional groups

    International Nuclear Information System (INIS)

    Carey, A.L.; Eastwood, M.G.; Hannabuss, K.C.

    1990-01-01

    We introduce of class of Riemann surfaces which possess a fixed point free involution and line bundles over these surfaces with which we can associate an infinite dimensional Clifford algebra. Acting by automorphisms of this algebra is a 'gauge' group of meromorphic functions on the Riemann surface. There is a natural Fock representation of the Clifford algebra and an associated projective representation of this group of meromorphic functions in close analogy with the construction of the basic representation of Kac-Moody algebras via a Fock representation of the Fermion algebra. In the genus one case we find a form of vertex operator construction which allows us to prove a version of the Boson-Fermion correspondence. These results are motivated by the analysis of soliton solutions of the Landau-Lifshitz equation and are rather distinct from recent developments in quantum field theory on Riemann surfaces. (orig.)

  2. Atomic Oxygen Treatment for Non-Contact Removal of Organic Protective Coatings from Painting Surfaces

    Science.gov (United States)

    Rutledge, Sharon K.; Banks, Bruce A.; Cales, Michael

    1994-01-01

    Current techniques for removal of varnish (lacquer) and other organic protective coatings from paintings involve contact with the surface. This contact can remove pigment, or alter the shape and location of paint on the canvas surface. A thermal energy atomic oxygen plasma, developed to simulate the space environment in low Earth orbit, easily removes these organic materials. Uniform removal of organic protective coatings from the surfaces of paintings is accomplished through chemical reaction. Atomic oxygen will not react with oxides so that most paint pigments will not be affected by the reaction. For paintings containing organic pigments, the exposure can be carefully timed so that the removal stops just short of the pigment. Color samples of Alizarin Crimson, Sap Green, and Zinc White coated with Damar lacquer were exposed to atomic oxygen. The lacquer was easily removed from all of the samples. Additionally, no noticeable change in appearance was observed after the lacquer was reapplied. The same observations were made on a painted canvas test sample obtained from the Cleveland Museum of Art. Scanning electron microscope photographs showed a slight microscopic texturing of the vehicle after exposure. However, there was no removal or disturbance of the paint pigment on the surface. It appears that noncontact cleaning using atomic oxygen may provide a viable alternative to other cleaning techniques. It is especially attractive in cases where the organic protective surface cannot be acceptably or safely removed by conventional techniques.

  3. Water Induced Surface Reconstruction of the Oxygen (2x1) covered Ru(0001)

    Energy Technology Data Exchange (ETDEWEB)

    Maier, Sabine; Cabrera-Sanfelix, Pepa; Stass, Ingeborg; Sanchez-Portal, Daniel; Arnau, Andres; Salmeron, Miquel

    2010-08-06

    Low temperature scanning tunneling microscopy (STM) and density functional theory (DFT) were used to study the adsorption of water on a Ru(0001) surface covered with half monolayer of oxygen. The oxygen atoms occupy hcp sites in an ordered structure with (2x1) periodicity. DFT predicts that water is weakly bound to the unmodified surface, 86 meV compared to the ~;;200 meV water-water H-bond. Instead, we found that water adsorption causes a shift of half of the oxygen atoms from hcp sites to fcc sites, creating a honeycomb structure where water molecules bind strongly to the exposed Ru atoms. The energy cost of reconstructing the oxygen overlayer, around 230 meV per displaced oxygen atom, is more than compensated by the larger adsorption energy of water on the newly exposed Ru atoms. Water forms hydrogen bonds with the fcc O atoms in a (4x2) superstructure due to alternating orientations of the molecules. Heating to 185 K results in the complete desorption of the water layer, leaving behind the oxygen honeycomb structure, which is metastable relative to the original (2x1). This stable structure is not recovered until after heating to temperatures close to 260K.

  4. Systematic spatial and stoichiometric screening towards understanding the surface of ultrasmall oxygenated silicon nanocrystal

    Science.gov (United States)

    Niaz, Shanawer; Zdetsis, Aristides D.; Koukaras, Emmanuel N.; Gülseren, Oǧuz; Sadiq, Imran

    2016-11-01

    In most of the realistic ab initio and model calculations which have appeared on the emission of light from silicon nanocrystals, the role of surface oxygen has been usually ignored, underestimated or completely ruled out. We investigate theoretically, by density functional theory (DFT/B3LYP) possible modes of oxygen bonding in hydrogen terminated silicon quantum dots using as a representative case of the Si29 nanocrystal. We have considered Bridge-bonded oxygen (BBO), Doubly-bonded oxygen (DBO), hydroxyl (OH) and Mix of these oxidizing agents. Due to stoichiometry, all comparisons performed are unbiased with respect to composition whereas spatial distribution of oxygen species pointed out drastic change in electronic and cohesive characteristics of nanocrytals. From an overall perspective of this study, it is shown that bridge bonded oxygenated Si nanocrystals accompanied by Mix have higher binding energies and large electronic gap compared to nanocrystals with doubly bonded oxygen atoms. In addition, it is observed that the presence of OH along with BBO, DBO and mixed configurations further lowers electronic gaps and binding energies but trends in same fashion. It is also demonstrated that within same composition, oxidizing constituent, along with their spatial distribution substantially alters binding energy, highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) gap (up to 1.48 eV) and localization of frontier orbitals.

  5. Oxygen reduction reaction over silver particles with various morphologies and surface chemical states

    Science.gov (United States)

    Ohyama, Junya; Okata, Yui; Watabe, Noriyuki; Katagiri, Makoto; Nakamura, Ayaka; Arikawa, Hidekazu; Shimizu, Ken-ichi; Takeguchi, Tatsuya; Ueda, Wataru; Satsuma, Atsushi

    2014-01-01

    The oxygen reduction reaction (ORR) in an alkaline solution was carried out using Ag powders having various particle morphologies and surface chemical states (Size: ca. 40-110 nm in crystalline size. Shape: spherical, worm like, and angular. Surface: smooth with easily reduced AgOx, defective with AgOx, and Ag2CO3 surface layer). The various Ag powders were well characterized by X-ray diffraction, X-ray photoelectron spectroscopy, N2 adsorption, scanning electron microscopy, Raman spectroscopy, cyclic voltammetry, and stripping voltammetry of underpotential-deposited lead. Defective and oxidized surfaces enhanced the Ag active surface area during the ORR. The ORR activity was affected by the morphology and surface chemical state: Ag particles with defective and angular surfaces showed smaller electron exchange number between three and four but showed higher specific activity compared to Ag particles with smooth surfaces.

  6. Distinguishibility of Oxygen Desorption From the Surface Region with Mobility Dominant Effects in Nanocrystalline Ceria Films

    Energy Technology Data Exchange (ETDEWEB)

    Saraf, Laxmikant V; Shutthanandan, V; Zhang, Yanwen; Thevuthasan, Suntharampillai; Wang, Chong M; El-Azab, Anter; Baer, Donald R

    2004-11-15

    We present an investigation of oxygen (18Ο) uptake measurements in 1 μm thick nanocrystalline ceria films grown on single crystal Al₂O₃ (0001) by nuclear reaction analysis (NRA). Oxygen uptake measurements were carried out in the temperature range of 200°C-600°C at a background 18O pressure of 4.0 x 10-6 Torr. Average grain-size in the as-grown films, synthesized by sol-gel process was ~ 3 nm confirmed by high-resolution transmission electron microscopy (HRTEM) and X-ray diffraction (XRD) measurements. From the diffusion depth profiles, changes in intensity and slopes in surface and interface regions indicate dominating oxygen mobility effects. Oxygen desorption is clearly distinguishable in the film surface region as a result of shift in the oxygen peak intensity. It is argued that high defect density in nanocrystalline ceria which is associated with nano-grain surface combined with intermediate temperature reducing environment triggers multiple processes like diffusion, desorption and exchange interaction. The promising nature of NRA is realized as an effective tool to acquire the depth-dependent information regarding such complex reactions that exists in nanocrystalline environment.

  7. Magnetic susceptibility of oxygen adsorbed on the surface of spherical and fibrous activated carbon.

    Directory of Open Access Journals (Sweden)

    Kiyoshi Kawamura

    2009-02-01

    Full Text Available The magnetic susceptibilities of oxygen adsorbed on the surface of bead-shaped activated carbon and activated carbon fibers were evaluated as a function of temperature between 4.2 K and 300 K, and found to exhibit a sharp peak at around 50 K. This implies that the adsorbed oxygen molecules form an antiferromagnetic state. The relation between the susceptibility and the adsorbed mass suggest that the thickness of the adsorbed oxygen is thin enough to consider a two-dimensional structure for bead–shaped activated carbon and carbon fibers across the fiber axis but thick enough to regard it as three-dimensional along the fiber axis. The result is discussed with reference to the study on one-dimensional oxygen array.

  8. Systematic spatial and stoichiometric screening towards understanding the surface of ultrasmall oxygenated silicon nanocrystal

    Energy Technology Data Exchange (ETDEWEB)

    Niaz, Shanawer, E-mail: shanawersi@gmail.com [Department of Physics, Bilkent University, Ankara 06800 (Turkey); Molecular Engineering Laboratory, at the Department of Physics, University of Patras, Patras, GR-26500 (Greece); Zdetsis, Aristides D.; Koukaras, Emmanuel N. [Molecular Engineering Laboratory, at the Department of Physics, University of Patras, Patras, GR-26500 (Greece); Gülseren, Oǧuz [Department of Physics, Bilkent University, Ankara 06800 (Turkey); Sadiq, Imran [Centre of Excellence in Solid State Physics, University of the Punjab, Lahore (Pakistan)

    2016-11-30

    Highlights: • Understanding surface science of oxygenated silicon nanocrystals by means of their composition, stoichiometry and spatial distribution. • Drastic change observed in binding energy, localization of frontier orbitals and HOMO-LUMO gap up to 1.48 eV. • Might be a safe alternative of size dependent bandgap tunability. - Abstract: In most of the realistic ab initio and model calculations which have appeared on the emission of light from silicon nanocrystals, the role of surface oxygen has been usually ignored, underestimated or completely ruled out. We investigate theoretically, by density functional theory (DFT/B3LYP) possible modes of oxygen bonding in hydrogen terminated silicon quantum dots using as a representative case of the Si{sub 29} nanocrystal. We have considered Bridge-bonded oxygen (BBO), Doubly-bonded oxygen (DBO), hydroxyl (OH) and Mix of these oxidizing agents. Due to stoichiometry, all comparisons performed are unbiased with respect to composition whereas spatial distribution of oxygen species pointed out drastic change in electronic and cohesive characteristics of nanocrytals. From an overall perspective of this study, it is shown that bridge bonded oxygenated Si nanocrystals accompanied by Mix have higher binding energies and large electronic gap compared to nanocrystals with doubly bonded oxygen atoms. In addition, it is observed that the presence of OH along with BBO, DBO and mixed configurations further lowers electronic gaps and binding energies but trends in same fashion. It is also demonstrated that within same composition, oxidizing constituent, along with their spatial distribution substantially alters binding energy, highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) gap (up to 1.48 eV) and localization of frontier orbitals.

  9. Systematic spatial and stoichiometric screening towards understanding the surface of ultrasmall oxygenated silicon nanocrystal

    International Nuclear Information System (INIS)

    Niaz, Shanawer; Zdetsis, Aristides D.; Koukaras, Emmanuel N.; Gülseren, Oǧuz; Sadiq, Imran

    2016-01-01

    Highlights: • Understanding surface science of oxygenated silicon nanocrystals by means of their composition, stoichiometry and spatial distribution. • Drastic change observed in binding energy, localization of frontier orbitals and HOMO-LUMO gap up to 1.48 eV. • Might be a safe alternative of size dependent bandgap tunability. - Abstract: In most of the realistic ab initio and model calculations which have appeared on the emission of light from silicon nanocrystals, the role of surface oxygen has been usually ignored, underestimated or completely ruled out. We investigate theoretically, by density functional theory (DFT/B3LYP) possible modes of oxygen bonding in hydrogen terminated silicon quantum dots using as a representative case of the Si 29 nanocrystal. We have considered Bridge-bonded oxygen (BBO), Doubly-bonded oxygen (DBO), hydroxyl (OH) and Mix of these oxidizing agents. Due to stoichiometry, all comparisons performed are unbiased with respect to composition whereas spatial distribution of oxygen species pointed out drastic change in electronic and cohesive characteristics of nanocrytals. From an overall perspective of this study, it is shown that bridge bonded oxygenated Si nanocrystals accompanied by Mix have higher binding energies and large electronic gap compared to nanocrystals with doubly bonded oxygen atoms. In addition, it is observed that the presence of OH along with BBO, DBO and mixed configurations further lowers electronic gaps and binding energies but trends in same fashion. It is also demonstrated that within same composition, oxidizing constituent, along with their spatial distribution substantially alters binding energy, highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) gap (up to 1.48 eV) and localization of frontier orbitals.

  10. Surface-Selective Preferential Production of Reactive Oxygen Species on Piezoelectric Ceramics for Bacterial Killing.

    Science.gov (United States)

    Tan, Guoxin; Wang, Shuangying; Zhu, Ye; Zhou, Lei; Yu, Peng; Wang, Xiaolan; He, Tianrui; Chen, Junqi; Mao, Chuanbin; Ning, Chengyun

    2016-09-21

    Reactive oxygen species (ROS) can be used to kill bacterial cells, and thus the selective generation of ROS from material surfaces is an emerging direction in antibacterial material discovery. We found the polarization of piezoelectric ceramic causes the two sides of the disk to become positively and negatively charged, which translate into cathode and anode surfaces in an aqueous solution. Because of the microelectrolysis of water, ROS are preferentially formed on the cathode surface. Consequently, the bacteria are selectively killed on the cathode surface. However, the cell experiment suggested that the level of ROS is safe for normal mammalian cells.

  11. Direct quantification of negatively charged functional groups on membrane surfaces

    KAUST Repository

    Tiraferri, Alberto

    2012-02-01

    Surface charge plays an important role in membrane-based separations of particulates, macromolecules, and dissolved ionic species. In this study, we present two experimental methods to determine the concentration of negatively charged functional groups at the surface of dense polymeric membranes. Both techniques consist of associating the membrane surface moieties with chemical probes, followed by quantification of the bound probes. Uranyl acetate and toluidine blue O dye, which interact with the membrane functional groups via complexation and electrostatic interaction, respectively, were used as probes. The amount of associated probes was quantified using liquid scintillation counting for uranium atoms and visible light spectroscopy for the toluidine blue dye. The techniques were validated using self-assembled monolayers of alkanethiols with known amounts of charged moieties. The surface density of negatively charged functional groups of hand-cast thin-film composite polyamide membranes, as well as commercial cellulose triacetate and polyamide membranes, was quantified under various conditions. Using both techniques, we measured a negatively charged functional group density of 20-30nm -2 for the hand-cast thin-film composite membranes. The ionization behavior of the membrane functional groups, determined from measurements with toluidine blue at varying pH, was consistent with published data for thin-film composite polyamide membranes. Similarly, the measured charge densities on commercial membranes were in general agreement with previous investigations. The relative simplicity of the two methods makes them a useful tool for quantifying the surface charge concentration of a variety of surfaces, including separation membranes. © 2011 Elsevier B.V.

  12. Effect of Oxygen and Initiator Solubility on Admicellar Polymerization of Styrene on Silica Surfaces

    Directory of Open Access Journals (Sweden)

    Pohlee Cheah

    2017-01-01

    Full Text Available Although admicellar polymerization has been termed the surface analog of emulsion polymerization, previous reports utilizing free radical-initiated admicellar polymerization relied on high levels of the free radical initiator when compared to emulsion polymerization, likely due to the presence of oxygen in the reported admicellar polymerization systems. Admicellar polymerizations of styrene on the surface of precipitated silica initiated by either a water-soluble or a water-insoluble initiator were studied to determine the effect of dissolved oxygen and free radical initiator solubility on the kinetics, yield, and molecular weight of the polymer formed. Results show that the presence of oxygen reduces the polymer yield and limits molecular weight. The solubility of the initiator also affected the polymer formed in the admicellar polymerization of styrene. While monomer conversions and polymer yield were similar, the molecular weights of polymerizations initiated by a water-soluble initiator were higher than comparable polymerizations initiated by a water-insoluble initiator.

  13. Monte Carlo Technique Used to Model the Degradation of Internal Spacecraft Surfaces by Atomic Oxygen

    Science.gov (United States)

    Banks, Bruce A.; Miller, Sharon K.

    2004-01-01

    Atomic oxygen is one of the predominant constituents of Earth's upper atmosphere. It is created by the photodissociation of molecular oxygen (O2) into single O atoms by ultraviolet radiation. It is chemically very reactive because a single O atom readily combines with another O atom or with other atoms or molecules that can form a stable oxide. The effects of atomic oxygen on the external surfaces of spacecraft in low Earth orbit can have dire consequences for spacecraft life, and this is a well-known and much studied problem. Much less information is known about the effects of atomic oxygen on the internal surfaces of spacecraft. This degradation can occur when openings in components of the spacecraft exterior exist that allow the entry of atomic oxygen into regions that may not have direct atomic oxygen attack but rather scattered attack. Openings can exist because of spacecraft venting, microwave cavities, and apertures for Earth viewing, Sun sensors, or star trackers. The effects of atomic oxygen erosion of polymers interior to an aperture on a spacecraft were simulated at the NASA Glenn Research Center by using Monte Carlo computational techniques. A two-dimensional model was used to provide quantitative indications of the attenuation of atomic oxygen flux as a function of the distance into a parallel-walled cavity. The model allows the atomic oxygen arrival direction, the Maxwell Boltzman temperature, and the ram energy to be varied along with the interaction parameters of the degree of recombination upon impact with polymer or nonreactive surfaces, the initial reaction probability, the reaction probability dependence upon energy and angle of attack, degree of specularity of scattering of reactive and nonreactive surfaces, and the degree of thermal accommodation upon impact with reactive and non-reactive surfaces to be varied to allow the model to produce atomic oxygen erosion geometries that replicate actual experimental results from space. The degree of

  14. Roles of acidic functional groups of carbon fiber surfaces in enhancing interfacial adhesion behavior

    International Nuclear Information System (INIS)

    Park, Soo-Jin; Kim, Byung-Joo

    2005-01-01

    The gas phase ozone treatment was used as a method to bind acidic oxygen functional groups on carbon fiber surfaces. The ozone treatment on carbon fibers was varied with the ozone concentration and treatment time. Surface analyses of the carbon fibers before and after treatments were performed by FT-IR, X-ray photoelectron spectrometer (XPS), and dynamic contact angle measurements. Mechanical interfacial properties of the fibers/polymer composites were investigated by using critical stress intensity factor (K IC ) and critical energy release rate (G IC ) measurements. From the results of FT-IR and XPS, it was observed that the oxygen functional groups, such as -OH, O-C=O, C=O, and C-O, were attached on the carbon fiber surfaces after the ozone treatment. The mechanical interfacial properties of the composites also showed higher values than those of untreated composites. Ozone treatment is attributed to the increase of both the acidic functional groups and the degree of adhesion at interfaces between the fibers and polymeric resin in composites

  15. Photogeneration of singlet oxygen by the phenothiazine derivatives covalently bound to the surface-modified glassy carbon

    Energy Technology Data Exchange (ETDEWEB)

    Blacha-Grzechnik, Agata, E-mail: agata.blacha@polsl.pl [Faculty of Chemistry, Silesian University of Technology, Strzody 9, 44-100 Gliwice (Poland); Piwowar, Katarzyna; Krukiewicz, Katarzyna [Faculty of Chemistry, Silesian University of Technology, Strzody 9, 44-100 Gliwice (Poland); Koscielniak, Piotr; Szuber, Jacek [Institute of Electronics, Silesian University of Technology, Akademicka 16, 44-100 Gliwice (Poland); Zak, Jerzy K. [Faculty of Chemistry, Silesian University of Technology, Strzody 9, 44-100 Gliwice (Poland)

    2016-05-15

    Highlights: • The selected group of four NH{sub 2}-derivatives of phenothiazine was grafted to Glassy Carbon (GC) surface. • The grafted phenothiazines are able to generate {sup 1}O{sub 2} when activated by the radiation. • Such modified solid surfaces may find their application in the wastewater treatment. - Abstract: The selected group of four amine-derivatives of phenothiazine was covalently grafted to the glassy carbon surface in the four-step procedure consisting of the electrochemical reduction of the diazonium salt followed by the electrochemical and chemical post-modification steps. The proposed strategy involves the bonding of linker molecule to which the photosensitizer is attached. The synthesized organic layers were characterized by means of cyclic voltammetry, XPS and Raman Spectroscopy. It was shown that the phenothiazines immobilized via proposed strategy retain their photochemical properties and are able to generate {sup 1}O{sub 2} when activated by the laser radiation. The effectiveness of in situ singlet oxygen generation by those new solid photoactive materials was determined by means of UVVis spectroscopy. The reported, covalently modified solid surfaces may find their application as the singlet oxygen photogenerators in the fine chemicals’ synthesis or in the wastewater treatment.

  16. Surface functional groups in capacitive deionization with porous carbon electrodes

    Science.gov (United States)

    Hemmatifar, Ali; Oyarzun, Diego I.; Palko, James W.; Hawks, Steven A.; Stadermann, Michael; Santiago, Juan G.; Stanford Microfluidics Lab Team; Lawrence Livermore National Lab Team

    2017-11-01

    Capacitive deionization (CDI) is a promising technology for removal of toxic ions and salt from water. In CDI, an applied potential of about 1 V to pairs of porous electrodes (e.g. activated carbon) induces ion electromigration and electrostatic adsorption at electrode surfaces. Immobile surface functional groups play a critical role in the type and capacity of ion adsorption, and this can dramatically change desalination performance. We here use models and experiments to study weak electrolyte surface groups which protonate and/or depropotante based on their acid/base dissociation constants and local pore pH. Net chemical surface charge and differential capacitance can thus vary during CDI operation. In this work, we present a CDI model based on weak electrolyte acid/base equilibria theory. Our model incorporates preferential cation (anion) adsorption for activated carbon with acidic (basic) surface groups. We validated our model with experiments on custom built CDI cells with a variety of functionalizations. To this end, we varied electrolyte pH and measured adsorption of individual anionic and cationic ions using inductively coupled plasma mass spectrometry (ICP-MS) and ion chromatography (IC) techniques. Our model shows good agreement with experiments and provides a framework useful in the design of CDI control schemes.

  17. Simultaneous modulation of surface composition, oxygen vacancies and assembly in hierarchical Co3O4 mesoporous nanostructures for lithium storage and electrocatalytic oxygen evolution

    DEFF Research Database (Denmark)

    Sun, Hongyu; Zhao, Yanyan; Mølhave, Kristian

    2017-01-01

    in superior electrochemical properties when used as the anode materials for lithium-ion batteries and as an electrocatalyst for the oxygen evolution reaction. The excellent electrochemical performance is attributed to the synergistic effects of novel hierarchical morphology, crystal structure of the active......We developed a facile solution reductive method to simultaneously tune the surface composition, oxygen vacancies and three dimensional assembly in Co3O4 hierarchical nanostructures. The controllable surface composition, oxygen vacancies together with hierarchical micro/nanoarchitectures resulted...... materials, the improvement of intrinsic conductivity and inner surface area induced by the oxygen vacancies. The present strategy not only provides a facile method to assemble novel hierarchical architectures, but also paves a way to control surface structures (chemical composition and crystal defects...

  18. The interaction of oxygen with Ni(100) and the reduction of the surface oxide by hydrogen

    NARCIS (Netherlands)

    Bokx, P.K. de; Labohm, F.; Gijzeman, O.L.J.; Bootsma, B.A.; Geus, John W.

    The interaction of oxygen with Ni(100) has been studied with ellipsometry, Auger electron spectroscopy and low energy electron diffraction. The observations of other workers are completely confirmed. The same techniques and procedures have been used to study the reduction of the surface oxide with

  19. Sunspot Groups as Tracers of Sub-Surface Processes

    Indian Academy of Sciences (India)

    2016-01-27

    Jan 27, 2016 ... Data on sunspot groups have been quite useful for obtaining clues to several processes on global and local scales within the sun which lead to emergence of toroidal magnetic flux above the sun's surface. I present here a report on such studies carried out at Indian Institute of Astrophysics during the last ...

  20. Sunspot Groups as Tracers of Sub Surface Processes .

    Indian Academy of Sciences (India)

    tribpo

    Abstract. Data on sunspot groups have been quite useful for obtaining clues to several processes on global and local scales within the sun which lead to emergence of toroidal magnetic flux above the sun's surface. I present here a report on such studies carried out at Indian Institute of. Astrophysics during the last decade or ...

  1. Combustion of methane-oxygen and methane-oxygen-CFC mixtures initiated by a high-current slipping surface discharge

    International Nuclear Information System (INIS)

    Kossyi, I.A.; Silakov, V.P.; Tarasova, N.M.

    2001-01-01

    Results are presented from experimental studies of the destruction of chlorofluorocarbon (CF 2 Cl 2 ) molecules in a methane-oxygen (air) gas mixture whose combustion is initiated by a high-current slipping surface discharge. It is found that a three-component CH 4 + O 2 (air)+ CF 2 Cl 2 gas mixture (even with a considerable amount of the third component) demonstrates properties of explosive combustion involving chain reactions that are typical of two-component CH 4 + O 2 mixtures. Experiments show the high degree of destruction (almost complete decomposition) of chlorofluorocarbons contained in the mixture during one combustion event. The combustion dynamics is studied. It is shown that the combustion initiated by a slipping surface discharge has a number of characteristic features that make it impossible to identify the combustion dynamics with the formation of a combustion or detonation wave. The features of the effects observed can be related to intense UV radiation produced by a pulsed high-current surface discharge

  2. Quantitative measurements of ground state atomic oxygen in atmospheric pressure surface micro-discharge array

    Science.gov (United States)

    Li, D.; Kong, M. G.; Britun, N.; Snyders, R.; Leys, C.; Nikiforov, A.

    2017-06-01

    The generation of atomic oxygen in an array of surface micro-discharge, working in atmospheric pressure He/O2 or Ar/O2 mixtures, is investigated. The absolute atomic oxygen density and its temporal and spatial dynamics are studied by means of two-photon absorption laser-induced fluorescence. A high density of atomic oxygen is detected in the He/O2 mixture with up to 10% O2 content in the feed gas, whereas the atomic oxygen concentration in the Ar/O2 mixture stays below the detection limit of 1013 cm-3. The measured O density near the electrode under the optimal conditions in He/1.75% O2 gas is 4.26  ×  1015 cm-3. The existence of the ground state O (2p 4 3 P) species has been proven in the discharge at a distance up to 12 mm away from the electrodes. Dissociative reactions of the singlet O2 with O3 and deep vacuum ultraviolet radiation, including the radiation of excimer \\text{He}2\\ast , are proposed to be responsible for O (2p 4 3 P) production in the far afterglow. A capability of the surface micro-discharge array delivering atomic oxygen to long distances over a large area is considered very interesting for various biomedical applications.

  3. Cryptic oxygen oases: Hypolithic photosynthesis in hydrothermal areas and implications for Archean surface oxidation

    Science.gov (United States)

    Havig, J. R.; Hamilton, T. L.

    2017-12-01

    Mounting geochemical evidence suggests microorganisms capable of oxygenic photosynthesis (e.g., Cyanobacteria) colonized Archean continental surfaces, driving oxidative weathering of detrital pyrites prior to the 2.5 Ga great oxidation event. Modern terrestrial environments dominated by single-celled phototrophs include hydrothermal systems (e.g., Yellowstone National Park) and hypolithic communities found in arid to hyper-arid deserts (e.g., McMurdo Dry Valleys of Antarctica, Atacama Desert of Chile). Recent work indicates terrestrial hydrothermal systems date back at least as far as 3.5 Ga. Here, we explore phototrophic communities in both hypolithic (sub-sinter) and hydrothermal (subaqueous and subaerial) environments in Yellowstone National Park as potential analogs to Archean continental surfaces. Hydrothermal sub-sinter environments provide ideal conditions for phototrophic microbial communities, including blocking of harmful UV radiation, trapping and retention of moisture, and protection from erosion by rain and surface runoff. Hypolithic communities in geothermal settings were similar in both composition and carbon uptake rates to nearby hot spring communities. We hypothesize that hydrothermal area hypolithic communities represent modern analogs of phototrophic microbial communities that colonized Archean continental surfaces, producing oxygen locally and facilitating microbially-mediated pyrite oxidation prior to the presence of free oxygen in the global atmosphere. These results have implications for oxidation of the early Earth surface, the search for biosignatures in the rock record, as well as for potential harbors of past life on Mars and the search for life on Exoplanets.

  4. A general scheme for the estimation of oxygen binding energies on binary transition metal surface alloys

    DEFF Research Database (Denmark)

    Greeley, Jeffrey Philip; Nørskov, Jens Kehlet

    2005-01-01

    A simple scheme for the estimation of oxygen binding energies on transition metal surface alloys is presented. It is shown that a d-band center model of the alloy surfaces is a convenient and appropriate basis for this scheme; variations in chemical composition, strain effects, and ligand effects...... are all incorporated into the binding energy analysis through this parameter. With few exceptions, the agreement of the results from the simple model with full DFT calculations on hundreds of binary surface alloys is remarkable. The scheme should therefore provide a fast and effective method...... for the estimation of oxygen binding energies on a wide variety of transition metal alloys. (c) 2005 Elsevier B.V. All rights reserved....

  5. Surface modification effects of fluorine-doped tin dioxide by oxygen plasma ion implantation

    Science.gov (United States)

    Tang, Peng; Liu, Cai; Zhang, Jingquan; Wu, Lili; Li, Wei; Feng, Lianghuan; Zeng, Guanggen; Wang, Wenwu

    2018-04-01

    SnO2:F (FTO), as a kind of transparent conductive oxide (TCO), exhibits excellent transmittance and conductivity and is widely used as transparency electrodes in solar cells. It's very important to modifying the surface of FTO for it plays a critical role in CdTe solar cells. In this study, modifying effects of oxygen plasma on FTO was investigated systematically. Oxygen plasma treatment on FTO surface with ion accelerating voltage ranged from 0.4 kV to 1.6 kV has been processed. The O proportion of surface was increased after ion implantation. The Fermi level of surface measurement by XPS valance band spectra was lowered as the ion accelerating voltage increased to 1.2 kV and then raised as accelerating voltage was elevated to 1.6 kV. The work function measured by Kelvin probe force microscopy increased after ion implanting, and it was consistent with the variation of Fermi level. The change of energy band structure of FTO surface mainly originated from the surface composition variation. As FTO conduction was primarily due to oxyanion hole, the carrier was electron and its concentration was reduced while O proportion was elevated at the surface of FTO, as a result, the Fermi level lowered and the work function was enlarged. It was proved that oxygen plasma treatment is an effective method to modulate the energy band structure of the surface as well as other properties of FTO, which provides much more space for interface and surface modification and then photoelectric device performance promotion.

  6. Modeling the thermostability of surface functionalisation by oxygen, hydroxyl, and water on nanodiamonds.

    Science.gov (United States)

    Lai, Lin; Barnard, Amanda S

    2011-06-01

    Understanding nanodiamond functionalisation is of great importance for biological and medical applications. Here we examine the stabilities of oxygen, hydroxyl, and water functionalisation of the nanodiamonds using the self-consistent charge density functional tight-binding simulations. We find that the oxygen and hydroxyl termination are thermodynamically favourable and form strong C–O covalent bonds on the nanodiamond surface in an O2 and H2 gas reservoir, which confirms previous experiments. Yet, the thermodynamic stabilities of oxygen and hydroxyl functionalisation decrease dramatically in a water vapour reservoir. In contrast, H2O molecules are found to be physically adsorbed on the nanodiamond surface, and forced chemical adsorption results in decomposition of H2O. Moreover, the functionalisation efficiency is found to be facet dependent. The oxygen functionalisation prefers the {100} facets as opposed to alternative facets in an O2 and H2 gas reservoir. The hydroxyl functionalisation favors the {111} surfaces in an O2 and H2 reservoir and the {100} facets in a water vapour reservoir, respectively. This facet selectivity is found to be largely dependent upon the environmental temperature, chemical reservoir, and morphology of the nanodiamonds.

  7. 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.

  8. Oxygen plasma functionalization of parylene C coating for implants surface: nanotopography and active sites for drug anchoring.

    Science.gov (United States)

    Gołda, M; Brzychczy-Włoch, M; Faryna, M; Engvall, K; Kotarba, A

    2013-10-01

    The effect of oxygen plasma treatment (t=0.1-60 min, pO2=0.2 mbar, P=50 W) of parylene C implant surface coating was investigated in order to check its influence on morphology (SEM, AFM observations), chemical composition (XPS analysis), hydrophilicity (contact angle measurements) and biocompatibility (MG-63 cell line and Staphylococcus aureus 24167 DSM adhesion screening). The modification procedure leads to oxygen insertion (up to 20 at.%) into the polymer matrix and together with surface topography changes has a dramatic impact on wettability (change of contact angle from θ=78±2 to θ=33±1.9 for unmodified and 60 min treated sample, respectively). As a result, the hydrophilic surface of modified parylene C promotes MG-63 cells growth and at the same time does not influence S. aureus adhesion. The obtained results clearly show that the plasma treatment of parylene C surface provides suitable polar groups (C=O, C-O, O-C=O, C-O-O and O-C(O)-O) for further development of the coating functionality. Copyright © 2013 Elsevier B.V. All rights reserved.

  9. Microbiological investigations of oxygen plasma treated parylene C surfaces for metal implant coating.

    Science.gov (United States)

    Golda-Cepa, M; Brzychczy-Wloch, M; Engvall, K; Aminlashgari, N; Hakkarainen, M; Kotarba, A

    2015-01-01

    Parylene C surface was modified by the use of oxygen plasma treatment and characterized by microscopic and surface-sensitive techniques (E-SEM, AFM, XPS, LDI-TOF-MS, contact angle). The influence of the treatment on surface properties was investigated by calculations of surface free energy (Owens-Wendt method). Moreover, early adhesion (Culture Plate Method, Optical Microscopy Test) and biofilm formation ability (Cristal Violet Assay) on the parylene C surface was investigated. The bacteria strains which are common causative agents of medical device-associated infections (Staphylococcus aureus, Staphylococcus epidermidis and Pseudomonas aeruginosa--reference strains and clinical isolates) were used. It was concluded that chemical (oxygen insertion) and physical (nanotopography generation) changes, have a significant impact on the biocompatibility in terms of increased hydrophilicity (θ w of unmodified sample = 88° ± 2°, θ w of 60 min modified sample = 17.6° ± 0.8°) and surface free energy (SFE of unmodified sample = 42.4 mJ/m(2), and for 60 min modified sample = 70.1 mJ/m(2)). At the same time, no statistical effect on biofilm production and bacteria attachment to the modified surface of any of the tested strains was observed. Copyright © 2015 Elsevier B.V. All rights reserved.

  10. Surface Morphology and Overlayer Formation Kinetics of OXYGEN/SILVER(110) Studied by Scanning Tunneling Microscopy

    Science.gov (United States)

    Pai, Woei Wu.

    1995-01-01

    I have applied scanning tunneling microscopy (STM) to study clean and oxygen-covered vicinal Ag(110) surfaces at room temperature. Experimental results of surface morphology/stability, surface mass transport and surface chemical reactivity are presented. On clean vicinal Ag(110) surfaces, the steps distribute under the influence of step-step interactions. The terrace width distributions indicate an additional oscillatory component besides an l^{-2} interaction term. If the surface is contaminated slightly (quasi-clean), isolated "pinning sites" impede the motion of steps. The interactions between steps push the steps across the pinning site, resulting in a curved step front. When oxygen atoms adsorb on stepped Ag(110), a dramatic change in surface morphology occurs. The surface separates into two distinct phases--step bunches and large terraces (facets). The orientational instability is closely related to the linear "added-row" structure of the oxygen overlayer, as the long O chains push steps into bunches. The O chains do not push the steps effectively when O chains orient perpendicular to steps, and the faceting proceeds through nucleation. If the O chains orient near parallel to steps, however, O chains push the steps easily and the faceting proceeds through spinodal decomposition. To understand the mass transport during faceting, I quantify the thermal step fluctuations by employing a Langevin statistical analysis. The mass transport mechanism at the step edge is shown to be by atomic exchange between steps and terraces, making the step an effective source or sink for Ag adatoms. This Ag source also proves essential in O overlayer formation, since both Ag and O atoms are incorporated into the "added -row" overlayer structure. Because an Ag source must be found during the adlayer formation, I show the surface morphology is sensitive to oxygen dosing pressure. Above a critical O pressure of 10^{-5} mbar, vacancy islands on terraces provide a second source of Ag

  11. Surface strontium enrichment on highly active perovskites for oxygen electrocatalysis in solid oxide fuel cells

    KAUST Repository

    Crumlin, Ethan J.

    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.

  12. Unraveling the oxygen vacancy structures at the reduced Ce O2(111 ) surface

    Science.gov (United States)

    Han, Zhong-Kang; Yang, Yi-Zhou; Zhu, Beien; Ganduglia-Pirovano, M. Verónica; Gao, Yi

    2018-03-01

    Oxygen vacancies at ceria (Ce O2 ) surfaces play an essential role in catalytic applications. However, during the past decade, the near-surface vacancy structures at Ce O2(111 ) have been questioned due to the contradictory results from experiments and theoretical simulations. Whether surface vacancies agglomerate, and which is the most stable vacancy structure for varying vacancy concentration and temperature, are being heatedly debated. By combining density functional theory calculations and Monte Carlo simulations, we proposed a unified model to explain all conflicting experimental observations and theoretical results. We find a novel trimeric vacancy structure which is more stable than any other one previously reported, which perfectly reproduces the characteristics of the double linear surface oxygen vacancy clusters observed by STM. Monte Carlo simulations show that at low temperature and low vacancy concentrations, vacancies prefer subsurface sites with a local (2 × 2) ordering, whereas mostly linear surface vacancy clusters do form with increased temperature and degree of reduction. These results well explain the disputes about the stable vacancy structure and surface vacancy clustering at Ce O2(111 ) , and provide a foundation for the understanding of the redox and catalytic chemistry of metal oxides.

  13. Influence of Power Modulation on Ozone Production Using an AC Surface Dielectric Barrier Discharge in Oxygen

    Czech Academy of Sciences Publication Activity Database

    Šimek, Milan; Pekárek, S.; Prukner, Václav

    2010-01-01

    Roč. 30, č. 5 (2010), s. 607-617 ISSN 0272-4324 R&D Projects: GA ČR(CZ) GA202/09/0176 Institutional research plan: CEZ:AV0Z20430508 Keywords : Ozone * Surface DBD * Oxygen * Production efficiency Subject RIV: BL - Plasma and Gas Disc harge Physics Impact factor: 1.798, year: 2010 http://www.springerlink.com/content/28539775w5243513/

  14. Chemisorption of oxygen and subsequent reactions on low index surfaces of β-Mo2C

    DEFF Research Database (Denmark)

    Shi, Xue Rong; Wang, Shengguang; Wang, Jianguo

    2016-01-01

    Oxygen chemisorption on β-Mo2C surfaces, the subsequent CO/CO2 desorption and oxygen diffusion to the carbon vacancy have been investigated by density-functional theory. The most stable structures together with the energetics of oxygen stepwise adsorption, CO/CO2 desorption and oxygen diffusion...... to the carbon vacancy were identified. We examined the effect of oxygen coverage on the morphology of β-Mo2C by plotting the equilibrium crystal shape. Thermodynamic effect of temperature and reactant or product pressure on the CO/CO2 desorption were investigated. The CO/CO2 desorption is more favorable...

  15. Na-surface segregation and oxygen depletion in particle bombardment of alkaline glasses

    Energy Technology Data Exchange (ETDEWEB)

    Torrisi, A.; Marletta, G.; Licciardello, A.; Puglisi, O.

    1988-05-01

    Alkaline glass samples were bombarded by 2 keV Ar ions and neutrals and the surface modification were followed by XPS. Two main effects have been detected after bombardement: (I) a lowering of the Na/Si atomic ratio with a steady state value of about 1/2 of the initial value, and (II) an oxygen depletion. Both effects are independent of the charge state of the projectiles. The sodium concentration profile has been studied by XPS tilting angle technique and it is concluded that bombardment-induced surface segregation occurs and that it is may be responsible for the observed sodium behaviour.

  16. Oxygen Plasma Treatment of Rubber Surface by the Atmospheric Pressure Cold Plasma Torch

    DEFF Research Database (Denmark)

    Lee, Bong-ju; Kusano, Yukihiro; Kato, Nobuko

    1997-01-01

    adhesive. The adhesion property was improved by treatment of the rubber compound with plasma containing oxygen radicals. Physical and chemical changes of the rubber surface as a result of the plasma treatment were analyzed by field emission scanning electron microscopy (FE-SEM) and fourier transform......A new application of the atmospheric cold plasma torch has been investigated. Namely, the surface treatment of an air-exposed vulcanized rubber compound. The effect of plasma treatment was evaluated by the bondability of the treated rubber compound with another rubber compound using a polyurethane...

  17. Detection of submonolayer oxygen-18 on a gold surface by nuclear reaction analysis

    Energy Technology Data Exchange (ETDEWEB)

    Wielunski, L.S.; Kenny, M.J.; Wieczorek, L. [Commonwealth Scientific and Industrial Research Organisation (CSIRO), Lindfield, NSW (Australia). Div. of Applied Physics

    1993-12-31

    A gold substrate is the preferred solid surface for formation of an organic self-assembled monolayer ( SAM ). Device fabrication process may require the gold film to be exposed to photolithographic processing and plasma treatment prior to molecular assembly. It has been observed that oxygen plasma treatment prevents the formation of SAMs; however, subsequent treatment with an argon plasma allows assembly of the organic monolayers. To understand the mechanisms involved, a plasma containing 98% {sup 18}O was used and the film surface was analysed using the {sup 18}O (p,{alpha}){sup 15}N nuclear reaction. 5 refs., 1 tab., 3 figs.

  18. Synthesis of surface oxygen-deficient BiPO{sub 4} nanocubes with enhanced visible light induced photocatalytic activity

    Energy Technology Data Exchange (ETDEWEB)

    Shi, Bingtao; Yin, Haoyong; Li, Tao; Gong, Jianying; Lv, Shumei; Nie, Qiulin, E-mail: yhy@hdu.edu.cn [College of Materials & Environmental Engineering, Hangzhou Dianzi University, Hangzhou (China)

    2017-05-15

    The visible light driven BiPO{sub 4} nanocubes with sufficient surface oxygen deficiency were fabricated by a hydrothermal process and subsequently ultrasonic assistant Fe reduction process. The products were characterized by XRD, DRS, XPS, SEM and TEM which showed that the BiPO{sub 4} had cuboid-like shape with a smooth surface and clear edges and the oxygen vacancies were successfully introduced on the surface of the BiPO{sub 4} nanocubes. The as prepared oxygen-deficient BiPO{sub 4} nanocubes showed greatly enhanced visible light induced photocatalytic activity in degradation of Rhodamine B. The enhanced photocatalytic performance and expanded visible light response of BiPO{sub 4} may be due to the introduction of surface oxygen vacancies which can generate the oxygen vacancies mid-gap states lower to the conduction band of BiPO{sub 4}. (author)

  19. The Measurement and Interpretation of Surface Wave Group Arrival Times

    Science.gov (United States)

    Masters, G.; Kane, D.; Morrow, J.; Zhou, Y.; Tromp, J.

    2005-12-01

    We have recently developed an efficient technique for measuring the relative group arrival times of surface waves by using cross-correlation and cluster analysis of waveform envelope functions. Applying the analysis to minor arc Love and Rayleigh waves in the frequency band 7 to 35 mHz for all events over magnitude 5.5 results in a dataset of over 200,000 measurements at each frequency for long period Rayleigh waves (frequency less than 25 mHz) and about 100,000 measurements at the shorter periods. Analysis of transverse components results in about half as many Love wave measurements. Simple ray theory inversions of the relative arrival times for apparent group velocity produce maps which are accurate representations of the data (often over 90% variance reduction of the relative arrival times) and which show features strongly correlated with tectonics and crustal thickness. The apparent group velocity variations can be extremely large: 30% velocity variations for 20 mHz Rayleigh waves and 40% variations for 30 mHz Rayleigh waves and can have abrupt lateral changes. This raises the concern that non-ray theory effects could be important. Indeed, a recent analysis by Dahlen and Zhou (personal communication) suggests that the group arrival times should be a functions of both the group velocity AND the phase velocity. The simplest way to test the interpretation of the measurements is to perform the analysis on synthetic seismograms computed for a realistic model of the Earth. Here, we use the SEM with a model which incorporates realistic crust and mantle structure. We are currently computing synthetics for a suite of roughly 1000 events recorded globally that extend to a period of 18 seconds. We shall present the results of applying both ray-based and finite frequency inversions to the synthetic data as well as evaluating the effects of off path propagation at short periods using surface wave ray tracing.

  20. Identifying the Active Surfaces of Electrochemically Tuned LiCoO2 for Oxygen Evolution Reaction

    International Nuclear Information System (INIS)

    Lu, Zhiyi; Chen, Guangxu; Li, Yanbin; Wang, Haotian; Xie, Jin

    2017-01-01

    Identification of active sites for catalytic processes has both fundamental and technological implications for rational design of future catalysts. Herein, we study the active surfaces of layered lithium cobalt oxide (LCO) for the oxygen evolution reaction (OER) using the enhancement effect of electrochemical delithiation (De-LCO). Our theoretical results indicate that the most stable (0001) surface has a very large overpotential for OER independent of lithium content. In contrast, edge sites such as the nonpolar (1120) and polar (0112) surfaces are predicted to be highly active and dependent on (de)lithiation. The effect of lithium extraction from LCO on the surfaces and their OER activities can be understood by the increase of Co 4+ sites relative to Co 3+ and by the shift of active oxygen 2p states. Experimentally, it is demonstrated that LCO nanosheets, which dominantly expose the (0001) surface show negligible OER enhancement upon delithiation. However, a noticeable increase in OER activity (~0.1 V in overpotential shift at 10 mA cm –2 ) is observed for the LCO nanoparticles, where the basal plane is greatly diminished to expose the edge sites, consistent with the theoretical simulations. In addition, we find that the OER activity of De-LCO nanosheets can be improved if we adopt an acid etching method on LCO to create more active edge sites, which in turn provides a strong evidence for the theoretical indication.

  1. Oxygen vacancies at the surface of SrTiO{sub 3} thin films

    Energy Technology Data Exchange (ETDEWEB)

    Silva, Alexandre R., E-mail: alexandre.silva@univasf.edu.br [Colegiado de Engenharia Mecânica, Universidade Federal do Vale do São Francisco, 48902-300 Juazeiro, BA (Brazil); Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, 09210-580 Santo André, SP (Brazil); Dalpian, Gustavo M., E-mail: gustavo.dalpian@ufabc.edu.br [Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, 09210-580 Santo André, SP (Brazil)

    2014-01-21

    The two-dimensional electron gas (2DEG) observed at the surface of oxide thin films and at the interface between two oxides has been widely discussed, but the mechanism responsible for this behavior is still not well understood. In this work, we study the properties of the SrTiO{sub 3} (001) surface and show that defects are necessary in order to explain this 2DEG. We study the properties of oxygen vacancies at the TiO{sub 2} and SrO terminated surface, and conclude they can explain the metallic behavior experimentally observed. There is a strong tendency for these vacancies to be localized at the surface, where the formation energy is less than 2.92 eV.

  2. Integrable systems twistors, loop groups, and Riemann surfaces

    CERN Document Server

    Hitchin, NJ; Ward, RS

    2013-01-01

    This textbook is designed to give graduate students an understanding of integrable systems via the study of Riemann surfaces, loop groups, and twistors. The book has its origins in a series of lecture courses given by the authors, all of whom are internationally known mathematicians and renowned expositors. It is written in an accessible and informal style, and fills a gap in the existing literature. The introduction by Nigel Hitchin addresses the meaning of integrability: how do werecognize an integrable system? His own contribution then develops connections with algebraic geometry, and inclu

  3. Interaction of hydrogen and oxygen with bulk defects and surfaces of metals

    International Nuclear Information System (INIS)

    Besenbacher, F.

    1994-05-01

    The thesis deals with the interaction of hydrogen with defects in metals and the interaction of hydrogen and oxygen with metal surfaces studied by ion-beam techniques and scanning tunneling microscopy (STM), respectively. The first part of the thesis discusses the interaction of hydrogen with simple defects in transition metals. The trap-binding enthalpies and the lattice location of hydrogen trapped to vacancies have been determined, and an extremely simple and versatile picture of the hydrogen-metal interaction has evolved, in which the trap strength is mainly determined by the local electron density. Any dilution of the lattice will lead to a trap, vacancies and voids being the strongest trap. It is found that hydrogen trapped to vacancies in fcc metals is quantum-mechanically delocalized, and the excitation energies for the hydrogen in the vacancy potential are a few MeV only. The interaction of hydrogen with metal surfaces is studied by the transmission channeling (TC) technique. It is found that hydrogen chemisorbs in the highest-coordinated sites on the surfaces, and that there is a direct relationship between the hydrogen-metal bond length and the coordination number for the hydrogen. In the final part of the thesis the dynamics of the chemisorption process for oxygen and hydrogen on metal surfaces is studied by STM, a fascinating and powerful technique for exploring the atomic-scale realm of surfaces. It is found that there is a strong coupling between the chemisorption process and the distortion of the metal surface. The adsorbates induce a surface reconstruction, i.e. metal-metal bond breaks and metal-adsorbate bounds form. Whereas hydrogen interacts weakly with the metals and induces reconstructions where only nnn metals bonds are broken, oxygen interacts strongly with the metal, and the driving force for the O-induced reconstructions appears to be the formation of low-coordinated metal-O rows, formed by breaking of nn metal bonds. Finally it is shown

  4. Preparation of Carbon Nanotubes/Manganese Dioxide Composite Catalyst with Fewer Oxygen-Containing Groups for Li-O2Batteries Using Polymerized Ionic Liquids as Sacrifice Agent.

    Science.gov (United States)

    Ni, Wenpeng; Liu, Shimin; Fei, Yuqing; He, Yude; Ma, Xiangyuan; Lu, Liujin; Deng, Youquan

    2017-05-03

    Considering the significant influence of oxygen-containing groups on the surface of carbon involved electrodes, a carbon nanotube (CNT)-based MnO 2 composite catalyst was synthesized following a facile method while using polymerized ionic liquids (PIL) as sacrifice agent. Herein, the PIL (polymerized hydrophobic 1-vinyl-3-ethylimidazolium bis ((trifluoromethyl)sulfonyl)imide) wrapped CNTs were prepared. The composite was applied to support MnO 2 by the treatment of KMnO 4 solution, taking advantage of the reaction between PIL and KMnO 4 , which excludes or suppresses the oxidation of CNTs, and the as-synthesized material with fewer oxygen-containing groups acted as a cathode catalyst for Li-O 2 batteries, directly avoiding the application of binders. The catalyst shows enhanced activity compared to that of the samples without PIL, as verified by the lower overpotential during discharging and charging (0.97 V at the current density of 100 mA g -1 ). Meanwhile, the performance parameters such as Coulombic efficiency and rate capability were also improved for the Li-O 2 battery utilizing this catalyst. Further, the formation of confined Li 2 O 2 particles could be responsible for the reduction of charge potential of Li-O 2 batteries due to the synergy effect of the intrinsic catalytic activity of MnO 2 and fewer oxygen functional groups on the catalyst surface.

  5. Oxygen adsorption on the Al0.25Ga0.75N (0001) surface: A first-principles study

    Science.gov (United States)

    Fu, Jiaqi; Song, Tielei; Liang, Xixia; Zhao, Guojun

    2018-04-01

    To understand the interaction mechanism for the oxygen adsorption on AlGaN surface, herein, we built the possible models of oxygen adsorption on Al0.25Ga0.75N (0001) surface. For different oxygen coverage, three kinds of adsorption site are considered. Then the favorable adsorption sites are characterized by first principles calculation for (2 × 2) supercell of Al0.25Ga0.75N (0001) surface. On basis of the optimal adsorption structures, our calculated results show that all the adsorption processes are exothermic, indicating that the (0001) surface orientation is active towards the adsorption of oxygen. The doping of Al is advantage to the adsorption of O atom. Additionally, the adsorption energy decreases with reducing the oxygen coverage, and the relationship between them is approximately linear. Owing to the oxygen adsorption, the surface states in the fundamental band gap are significant reduced with respect to the free Al0.25Ga0.75N (0001) surface. Moreover, the optical properties on different oxygen coverage are also discussed.

  6. Enhanced oxygen reduction activity on surface-decorated perovskite thin films for solid oxide fuel cells

    KAUST Repository

    Mutoro, Eva

    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.

  7. Characterization of Sea Lettuce Surface Functional Groups by Potentiometric Titrations

    Science.gov (United States)

    Ebling, A. M.; Schijf, J.

    2008-12-01

    In pursuit of our ultimate goal to better understand the prodigious capacity of the marine macroalga Ulva lactuca (sea lettuce) for adsorbing a broad range of dissolved trace metals from seawater, we performed an initial characterization of its surface functional groups. Specifically, the number of distinct functional groups as well as their individual bulk concentrations and acid dissociation constants (pKas) were determined by potentiometric titrations in NaCl solutions of various ionic strengths (I = 0.01-5.0 M), under inert nitrogen atmosphere at 25°C. Depending on the ionic strength, Ulva samples were manually titrated down to pH 2 or 3 with 1 N HCl and then up to pH 10 with 1 N NaOH in steps of 0.1-0.2 units, continuously monitoring pH with a glass combination electrode. Titrations of a dehydrated Ulva standard reference material (BCR-279) were compared with fresh Ulva tissue cultured in our laboratory. A titration in filtered natural seawater was also compared with one in an NaCl solution of equal ionic strength. Equilibrium constants for the ionization of water in NaCl solutions as a function of ionic strength were obtained from the literature. Fits to the titration data ([H]T vs. pH) were performed with the FITEQL4.0 computer code using non-electrostatic 3-, 4-, and 5-site models, either by fixing ionic strength at its experimental value or by allowing it to be extrapolated to zero, while considering all functional group pKas and bulk concentrations as adjustable parameters. Since pKas and bulk concentrations were found to be strongly correlated, the latter were also fixed in some cases to further constrain the pKas. Whereas these calculations are currently ongoing, preliminary results point to three, possibly four, functional groups with pKas of about 4.1, 6.3, and 9.5 at I = 0. Bulk concentrations of the three groups are very similar, about 5-6×10-4 mol/g based on dry weight, which suggests that all are homogeneously distributed over the surface and

  8. Emission spectroscopic analysis of oxygen-plasma reaction on polymer surface: Effective polyacrylonitrile treatment by the plasma

    International Nuclear Information System (INIS)

    Kobayashi, Takaomi; Sasama, Tomonori; Wada, Hiroshi; Fujii, Nobuyuki

    2001-01-01

    Emission spectroscopy was applied to observe decomposed species of polyacrylonitrile (PAN) exposed with oxygen (O 2 ) plasma, which was generated by microwave discharge with 8x10 -2 dm 3 /s flow rate in the range of 1.8-4.7 Torr. As O 2 plasma was exposed to the polymer, the surface was etched and a violet emission was observed on the surface. The strong emission assigned to CN(B 2 Σ-X 2 Π) transition appeared near 340-460 nm and also CH(A 2 Δ-X 2 Π) at 431 nm. These results indicated that the PAN sample was decomposed by the plasma etching and the decomposed species emitted the violet light on the surface. The time dependence of the emission intensities was also investigated. When the discharge time of O 2 plasma increased, the emission intensities of the CN and CH transitions increased and then gradually decreased. Evidence was presented by infrared measurements that a hetrocyclic nitrile group was formed on the treated surface. Furthermore, the polymer surface decomposition in O 2 plasma was compared with that observed in nitrogen (N 2 ) and air plasma. The N 2 and air discharge showed less PAN decomposition than observed in O 2 discharge

  9. Electron stimulated desorption of positive and negative oxygen ions from YBa{sub 2}Cu{sub 3}O{sub 7} surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Hoffman, A. [Technion-Israel Inst. of Tech., Haifa (Israel). Solid State Inst.; Moss, S.D.; Paterson, P.J.K. [Royal Melbourne Inst. of Tech., VIC (Australia); McCubbery, D. [La Trobe Univ., Bundoora, VIC (Australia); Petravic, M. [Australian National Univ., Canberra, ACT (Australia)

    1996-12-31

    The electron stimulated desorption (ESD) of positive and negative oxygen ion from superconducting YBa{sub 2}Cu{sub 3}O{sub 7} surfaces was studied. Based on ion desorption yield measurements as function of electron kinetic energy, primary excitations leading to positive and negative oxygen ion desorption are suggested. To the best of the authors` knowledge this is the first study on electron energy dependent ESD from YBa{sub 2}Cu{sub 3}O{sub 7} surfaces. The YBa{sub 2}Cu{sub 3}O{sub 7} samples were prepared from BaCO{sub 3}, Y{sub 2}O{sub 3} and CuO using standard high temperature sintering and annealing procedures. Slices 2 mm thick were cut and further annealed at 400 C in flowing oxygen for 24 hours prior to insertion into the ultrahigh vacuum (UHV) chamber for ESD. The near surface composition and chemical state of the annealed sample after exposure to air was examined by Auger and XPS analysis. These measurements suggest that the ESD experiments were performed on samples of similar near surface and bulk composition with some OH- chemisorbed groups and Cl surface contaminations and that negative and positive oxygen ion desorption may be initiated via a primary core level ionization. 10 refs., 3 figs.

  10. A novel pulse isotopic exchange technique for rapid determination of the oxygen surface exchange rate of oxide ion conductors

    NARCIS (Netherlands)

    Bouwmeester, Henricus J.M.; Song, Chunlin; Song, C.; Zhu, J.J.; van Sint Annaland, M.; Yi, Jianxin; Boukamp, Bernard A.

    2009-01-01

    We demonstrate the use of a novel pulse 18O–16O isotopic exchange technique for the rapid determination of the oxygen surface exchange rate of oxide ion conductors while simultaneously providing insight into the mechanism of the oxygen exchange reaction, which contributes to the efficient

  11. 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.)

  12. Comparison of oxygen liquefaction methods for use on the Martian surface

    Science.gov (United States)

    Johnson, W. L.; Hauser, D. M.; Plachta, D. W.; Wang, X.-Y. J.; Banker, B. F.; Desai, P. S.; Stephens, J. R.; Swanger, A. M.

    2018-03-01

    In order to use oxygen that is produced on the surface of Mars from In-Situ production processes in a chemical propulsion system, the oxygen must first be converted from vapor phase to liquid phase and then stored within the propellant tanks of the propulsions system. There are multiple ways that this can be accomplished, from simply attaching a liquefaction system onto the propellant tanks to carrying separate tanks for liquefaction and storage of the propellant and loading just prior to launch (the way that traditional rocket launches occur on Earth). A study was done into these various methods by which the oxygen (and methane) could be liquefied and stored on the Martian surface. Five different architectures or cycles were considered: Tube-on-Tank (also known as Broad Area Cooling or Distributed Refrigeration), Tube-in-Tank (also known as Integrated Refrigeration and Storage), a modified Linde open liquefaction/refrigeration cycle, the direct mounting of a pulse tube cryocooler onto the tank, and an in-line liquefier at ambient pressure. Models of each architecture were developed to give insight into the performance and losses of each of the options. The results were then compared across eight categories: Mass, Power (both input and heat rejection), Operability, Cost, Manufacturability, Reliability, Volume-ility, and Scalability. The result was that Tube-on-Tank and Tube-in-Tank architectures were the most attractive solutions, with NASA's engineering management choosing to pursue tube on tank development rather than further differentiate the two. As a result NASA is focusing its Martian surface liquefaction activities and technology development on Tube-on-Tank liquefaction cycles.

  13. The effect of oxygen molecule adsorption on lead iodide perovskite surface by first-principles calculation

    Science.gov (United States)

    Ma, Xia-Xia; Li, Ze-Sheng

    2018-01-01

    Oxygen molecule has a negative effect on perovskite solar cells, which has been investigated experimentally. However, detailed theoretical research is still rare. This study presents a microscopic view to reveal the interaction mechanism between O2 and perovskite based on the first-principles calculation. The results show that O2 is adsorbed on the (100) surface of MAPbI3 perovskite mainly by Van der Waals force. O2 adsorption makes the MAPbI3 surface generate a small number of positive charges, which leads to the increase of the work function of the MAPbI3 surface. This is in agreement with the experimental measurement. And increased work function of MAPbI3 surface is not beneficial to electron transfer from perovskite to electronic extraction layer (such as TiO2). Comparison of the density of states (DOS) of the clean (100) surface and the adsorbed system shows that an in-gap state belonging to O2 appears, which can explain the phenomenon observed from experiments that electron transfers from the surface of perovskite to O2 to form superoxide. The theoretical power conversion efficiency of the system with and without O2 adsorption is evaluated, and it turns out that the power conversion efficiency of the system with O2 adsorption is slightly lower than that of the system without O2 adsorption. This result indicates that avoiding the introduction of O2 molecules between perovskite and electronic extraction layer is beneficial to the perovskite solar cell.

  14. DFT study of oxygen adsorption on Mo{sub 2}C(001) and (201) surfaces at different conditions

    Energy Technology Data Exchange (ETDEWEB)

    Cheng, Lihong, E-mail: chenglihong001@126.com [School of Materials and Mechanical & Electrical Engineering, Jiangxi Science and Technology Normal University, Nanchang 330013, Jiangxi (China); Li, Wenkui; Chen, Zhiqin; Ai, Jianping; Zhou, Zehua [School of Materials and Mechanical & Electrical Engineering, Jiangxi Science and Technology Normal University, Nanchang 330013, Jiangxi (China); Liu, Jianwen, E-mail: liujw@nsccsz.gov.cn [National Supercomputing Center in Shenzhen, Shenzhen 518055 (China)

    2017-07-31

    Highlights: • O adsorption manners on Mo{sub 2}C surfaces were calculated by DFT method. • Stable oxygen adsorption states and coverage were identified at given T and p. • O{sub 2} results in full oxidation while H{sub 2}O and CO{sub 2} cause partial oxidation of Mo{sub 2}C surfaces. • Hydrogen could be used to avoid Mo{sub 2}C surface oxidation. - Abstract: Density functional theory (DFT) calculations were performed to investigate oxygen adsorption on Mo{sub 2}C(001) and (201)surfaces at different coverage. The energies and structures of oxygen from lowest to saturated coverages were clearly identified on each surface. Thermodynamics method was introduced to reveal the roles of temperature, pressure as well as oxygen sources (O{sub 2}, H{sub 2}O and CO{sub 2}) on the surface oxygen coverage, which is related to the surface oxidation. On the basis of phase diagram, we can easily identify the stable oxygen coverage at different defined conditions. In addition, it reveals that O{sub 2} is the strongest oxidant, which results in the full coverage of oxygen on both surfaces in a wide range of temperature and pressure. Then, H{sub 2}O and CO{sub 2} are weaker oxidants, which could only cause partial oxidation of Mo{sub 2}C surfaces. These results indicate the facile oxidation of Mo{sub 2}C catalyst. The possible ways to avoid surface oxidation are keeping higher temperature and H{sub 2} pressure in the gas phase.

  15. Surface oxygen exchange properties of bismuth oxide-based solid electrolytes and electrode materials

    NARCIS (Netherlands)

    Boukamp, Bernard A.; Vinke, I.C.; de Vries, K.J.; Burggraaf, A.J.

    1989-01-01

    The surface oxygen exchange coefficient, ks, has been measured for the solid solution (Bi2O3)0.75(Er2O3)0.25 and (Bi2O3)0.6(Tb2O3)0.4 (abbreviated BE25 and BT40), using gas-phase 18O exchange techniques. The activation enth alpy of ks amounts to ΔE=110 kJ/molforBT40 andΔE=130 kJ/molforBE25. The

  16. In situ one-step hydrothermal synthesis of oxygen-containing groups-modified g-C3N4 for the improved photocatalytic H2-evolution performance

    Science.gov (United States)

    Wu, Xinhe; Chen, Fengyun; Wang, Xuefei; Yu, Huogen

    2018-01-01

    Surface modification of g-C3N4 is one of the most effective strategies to boost its photocatalytic H2-evolution performance via promoting the interfacial catalytic reactions. In this study, an in situ one-step hydrothermal method was developed to prepare the oxygen-containing groups-modified g-C3N4 (OG/g-C3N4) by a facile and green hydrothermal treatment of bulk g-C3N4 in pure water without any additives. It was found that the hydrothermal treatment (180 °C) not only could greatly increase the specific surface area (from 2.3 to 69.8 m2 g-1), but also caused the formation of oxygen-containing groups (sbnd OH and Cdbnd O) on the OG/g-C3N4 surface, via the interlayer delamination and intralayer depolymerization of bulk g-C3N4. Photocatalytic experimental results indicated that after hydrothermal treatment, the resultant OG/g-C3N4 samples showed an obviously improved H2-evolution performance. Especially, when the hydrothermal time was 6 h, the resultant OG/g-C3N4(6 h) exhibited the highest photocatalytic activity, which was clearly higher than that of the bulk g-C3N4 by a factor of ca. 7. In addition to the higher specific surface area, the enhanced H2-evolution rate of OG/g-C3N4 photocatalysts can be mainly attributed to the formation of oxygen-containing groups, which possibly works as the effective H2-evolution active sites. Considering the facie and green synthesis method, the present work may provide a new insight for the development of highly efficient photocatalytic materials.

  17. Group VII Ethylene Response Factors Coordinate Oxygen and Nitric Oxide Signal Transduction and Stress Responses in Plants1

    Science.gov (United States)

    Gibbs, Daniel J.; Conde, Jorge Vicente; Berckhan, Sophie; Prasad, Geeta; Mendiondo, Guillermina M.; Holdsworth, Michael J.

    2015-01-01

    The group VII ethylene response factors (ERFVIIs) are plant-specific transcription factors that have emerged as important regulators of abiotic and biotic stress responses, in particular, low-oxygen stress. A defining feature of ERFVIIs is their conserved N-terminal domain, which renders them oxygen- and nitric oxide (NO)-dependent substrates of the N-end rule pathway of targeted proteolysis. In the presence of these gases, ERFVIIs are destabilized, whereas an absence of either permits their accumulation; ERFVIIs therefore coordinate plant homeostatic responses to oxygen availability and control a wide range of NO-mediated processes. ERFVIIs have a variety of context-specific protein and gene interaction partners, and also modulate gibberellin and abscisic acid signaling to regulate diverse developmental processes and stress responses. This update discusses recent advances in our understanding of ERFVII regulation and function, highlighting their role as central regulators of gaseous signal transduction at the interface of ethylene, oxygen, and NO signaling. PMID:25944828

  18. Effect of surface oxygen vacancy sites on ethanol synthesis from acetic acid hydrogenation on a defective In2O3(110) surface.

    Science.gov (United States)

    Lyu, Huisheng; Liu, Jiatao; Chen, Yifei; Li, Guiming; Jiang, Haoxi; Zhang, Minhua

    2018-03-07

    Developing a new type of low-cost and high-efficiency non-noble metal catalyst is beneficial for industrially massive synthesis of alcohols from carboxylic acids which can be obtained from renewable biomass. In this work, the effect of active oxygen vacancies on ethanol synthesis from acetic acid hydrogenation over defective In 2 O 3 (110) surfaces has been studied using periodic density functional theory (DFT) calculations. The relative stabilities of six surface oxygen vacancies from O v1 to O v6 on the In 2 O 3 (110) surface were compared. D1 and D4 surfaces with respective O v1 and O v4 oxygen vacancies were chosen to map out the reaction paths from acetic acid to ethanol. A reaction cycle mechanism between the perfect and defective states of the In 2 O 3 surface was found to catalyze the formation of ethanol from acetic acid hydrogenation. By H 2 reduction the oxygen vacancies on the In 2 O 3 surface play key roles in promoting CH 3 COO* hydrogenation and C-O bond breaking in acetic acid hydrogenation. The acetic acid, in turn, benefits the creation of oxygen vacancies, while the C-O bond breaking of acetic acid refills the oxygen vacancy and, thereby, sustains the catalytic cycle. The In 2 O 3 based catalysts were shown to be advantageous over traditional noble metal catalysts in this paper by theoretical analysis.

  19. Electro-oxidation of water on hematite: Effects of surface termination and oxygen vacancies investigated by first-principles

    DEFF Research Database (Denmark)

    Hellman, Anders; Iandolo, Beniamino; Wickman, Bjorn

    2015-01-01

    The oxygen evolution reaction on hydroxyl- and oxygen-terminated hematite was investigated using first-principle calculations within a theoretical electrochemical framework. Both pristine hematite and hematite containing oxygen vacancies were considered. The onset potential was determined to be 1.......79 V and 2.09 V vs. the reversible hydrogen electrode (RHE) for the pristine hydroxyl- and oxygen-terminated hematite, respectively. The presence of oxygen vacancies in the hematite surface resulted in pronounced shifts of the onset potential to 3.09 V and 1.83 V. respectively. Electrochemical...... oxidation measurements conducted on thin-film hematite anodes, resulted in a measured onset potential of 1.66 V vs. RHE. Furthermore, the threshold potential between the hydroxyl- and oxygen-terminated hematite was determined as a function of pH. The results indicate that electrochemical water oxidation...

  20. Carefully designed oxygen-containing functional groups and defects of porous carbon spheres with UV-O3 treatment and their enhanced catalytic performance

    Science.gov (United States)

    Han, Weiliang; Huang, Xiaosheng; Lu, Gongxuan; Tang, Zhicheng

    2018-04-01

    In this paper, the support surface properties (surface oxygen-containing functional groups and structure defects) of porous carbon spheres (PCSs) were carefully designed by as UV assisted O3 technology. CO catalytic oxidation reactions performed over the supported Pd-Ce catalysts on modified porous carbon spheres. Results illustrated that the Pd-Ce/PCSs catalysts exhibited high CO catalytic activity, which were increased at first, and then decreased with UV assistant-O3 treatment time. The Pd-Ce/PCSs-30 catalyst exhibited superior activity and T100 was only 15 °C. Moreover, the Pd-Ce/PCSs-30 catalyst obtained an excellent stability, and 100% CO conversion could be maintained as the time on stream evolutes up to 16h in the presence of H2O in the feed. Based on characterization results, there were two main factors: (a) the surface area and pore volume were decreased with UV-O3 treatment, leading to the enhancement of Pd-Ce particle size, and the decrease of Pd-Ce nanoparticle dispersion and mass transfer efficiency, as well as the decrease of catalytic activity of Pd-Ce/PCSs, (b) the surface oxygen content and defect sites of PCSs were raised by UV-O3 treatment, which could improve surface loading of Pd, Ce and enhance Pdsbnd Osbnd Ce bonding interactions, thereby increasing the activity of Pd-Ce/PCSs.

  1. Behaviour of oxygen atoms near the surface of nanostructured Nb2O5

    International Nuclear Information System (INIS)

    Cvelbar, U; Mozetic, M

    2007-01-01

    Recombination of neutral oxygen atoms on oxidized niobium foil was studied. Three sets of samples have been prepared: a set of niobium foils with a film of polycrystalline niobium oxide with a thickness of 40 nm, another one with a film thickness of about 2 μm and a set of foils covered with dense bundles of single-crystal Nb 2 O 3 nanowires. All the samples were prepared by oxidation of a pure niobium foil. The samples with a thin oxide film were prepared by exposure of as-received foils to a flux of O-atoms, the samples with a thick polycrystalline niobium oxide were prepared by baking the foils in air at a temperature of 800 deg. C, while the samples covered with nanowires were prepared by oxidation in a highly reactive oxygen plasma. The samples were exposed to neutral oxygen atoms from a remote oxygen plasma source. Depending on discharge parameters, the O-atom density in the postglow chamber, as measured with a catalytic probe, was between 5 x 10 20 and 8 x 10 21 m -3 . The O-atom density in the chamber without the samples was found rather independent of the probe position. The presence of the samples caused a decrease in the O-atom density. Depending on the distance from the samples, the O-atom density was decreased up to 5 times. The O-atom density also depended on the surface morphology of the samples. The strongest decrease in the O-atom density was observed with the samples covered with dense bundles of nanowires. The results clearly showed that niobium oxide nanowires exhibit excellent catalytic behaviour for neutral radicals and can be used as catalysts of exhaust radicals found in many applications

  2. Is the surface oxygen exchange rate linked to bulk ion diffusivity in mixed conducting Ruddlesden-Popper phases?

    Science.gov (United States)

    Tomkiewicz, Alex C; Tamimi, Mazin A; Huq, Ashfia; McIntosh, Steven

    2015-01-01

    The possible link between oxygen surface exchange rate and bulk oxygen anion diffusivity in mixed ionic and electronic conducting oxides is a topic of great interest and debate. While a large body of experimental evidence and theoretical analyses support a link, observed differences between bulk and surface composition of these materials are hard to reconcile with this observation. This is further compounded by potential problems with simultaneous measurement of both parameters. Here we utilize separate techniques, in situ neutron diffraction and pulsed isotopic surface exchange, to examine bulk ion mobility and surface oxygen exchange rates of three Ruddlesden-Popper phases, general form A(n-1)A(2)'B(n)O(3n+1), A(n-1)A(2)'B(n)X(3n+1); LaSrCo(0.5)Fe(0.5)O(4-δ) (n = 1), La(0.3)Sr(2.7)CoFeO(7-δ) (n = 2) and LaSr3Co(1.5)Fe(1.5)O(10-δ) (n = 3). These measurements are complemented by surface composition determination via high sensitivity-low energy ion scattering. We observe a correlation between bulk ion mobility and surface exchange rate between materials. The surface exchange rates vary by more than one order of magnitude with high anion mobility in the bulk of an oxygen vacancy-rich n = 2 Ruddlesden-Popper material correlating with rapid oxygen exchange. This is in contrast with the similar surface exchange rates which we may expect due to similar surface compositions across all three samples. We conclude that experimental limitations lead to inherent convolution of surface and bulk rates, and that surface exchange steps are not likely to be rate limiting in oxygen incorporation.

  3. Modeling of Transmittance Degradation Caused by Optical Surface Contamination by Atomic Oxygen Reaction with Adsorbed Silicones

    Science.gov (United States)

    Snyder, Aaron; Banks, Bruce; Miller, Sharon; Stueber, Thomas; Sechkar, Edward

    2001-01-01

    A numerical procedure is presented to calculate transmittance degradation caused by contaminant films on spacecraft surfaces produced through the interaction of orbital atomic oxygen (AO) with volatile silicones and hydrocarbons from spacecraft components. In the model, contaminant accretion is dependent on the adsorption of species, depletion reactions due to gas-surface collisions, desorption, and surface reactions between AO and silicone producing SiO(x), (where x is near 2). A detailed description of the procedure used to calculate the constituents of the contaminant layer is presented, including the equations that govern the evolution of fractional coverage by specie type. As an illustrative example of film growth, calculation results using a prototype code that calculates the evolution of surface coverage by specie type is presented and discussed. An example of the transmittance degradation caused by surface interaction of AO with deposited contaminant is presented for the case of exponentially decaying contaminant flux. These examples are performed using hypothetical values for the process parameters.

  4. Gas phase oxidation as a tool to introduce oxygen containing groups on metal-loaded carbon nanofibers

    NARCIS (Netherlands)

    Gosselink, R.W.|info:eu-repo/dai/nl/326164081; van den Berg, R.; Xia, B.; Muhler, M.; de Jong, K.P.|info:eu-repo/dai/nl/06885580X; Bitter, J.H.|info:eu-repo/dai/nl/160581435

    2012-01-01

    Oxygen containing groups were introduced, onto carbon nanofibers (CNFs) that were previously loaded with palladium, using HNO3 vapor. Using traditional liquid-phase oxidations this is not possible due to severe metal leaching. For the samples oxidized using HNO3 vapor temperature programmed

  5. Tensile strength of oxygen plasma-created surface layer of PDMS

    Science.gov (United States)

    Ohishi, Taiki; Noda, Haruka; Matsui, Tsubasa S.; Jile, Huge; Deguchi, Shinji

    2017-01-01

    Polydimethylsiloxane (PDMS) is a commonly used silicone elastomer with broad applications. Particularly for bioengineering use, PDMS is treated with oxygen plasma with which its surface is oxidized to allow positive interaction with water and live cells. In exchange for the acquisition of hydrophilicity, the oxidized PDMS becomes mechanically brittle so that resulting formation of cracks affects the system in various ways. However, tensile strength (TS), which is an inherent capacity of a material to withstand tensile loads before breaking and is thus a key parameter limiting the use of the material, remains unclear regarding oxidized PDMS. Here we determine the TS of oxide layers created on the surface of PDMS based on micro-stretch experiments using a custom-made device. We show that the surface layer displays cracks upon tensile loading of small strains of within 10% to have a TS of ~10-100 kPa, which is approximately two orders of magnitude lower than that of unmodified PDMS. We further show that the TS sharply decreases with oxidation duration to become highly brittle, while the thickness of the resulting oxide layer finally reaches a plateau even with prolonged plasma treatment. Consequently, we suggest that gradual surface modification of PDMS takes place only within a finite region even with prolonged plasma treatment, as distinct from previously held assumptions. These quantitative data provide critical design information for the oxide layer of plasma-hydrophilized PDMS.

  6. Oxygen adsorption on the Al9Co2(001) surface: first-principles and STM study

    International Nuclear Information System (INIS)

    Villaseca, S Alarcón; Loli, L N Serkovic; Ledieu, J; Fournée, V; Dubois, J-M; Gaudry, É; Gille, P

    2013-01-01

    Atomic oxygen adsorption on a pure aluminum terminated Al 9 Co 2 (001) surface is studied by first-principle calculations coupled with STM measurements. Relative adsorption energies of oxygen atoms have been calculated on different surface sites along with the associated STM images. The local electronic structure of the most favourable adsorption site is described. The preferential adsorption site is identified as a ‘bridge’ type site between the cluster entities exposed at the (001) surface termination. The Al–O bonding between the adsorbate and the substrate presents a covalent character, with s–p hybridization occurring between the states of the adsorbed oxygen atom and the aluminum atoms of the surface. The simulated STM image of the preferential adsorption site is in agreement with experimental observations. This work shows that oxygen adsorption generates important atomic relaxations of the topmost surface layer and that sub-surface cobalt atoms strongly influence the values of the adsorption energies. The calculated Al–O distances are in agreement with those reported in Al 2 O and Al 2 O 3 oxides and for oxygen adsorption on Al(111). (paper)

  7. Surface modification of carbon/epoxy prepreg using oxygen plasma and its effect on the delamination resistance behavior of carbon/epoxy composites

    International Nuclear Information System (INIS)

    Kim, M.H.; Rhee, K.Y.; Kim, H.J.; Jung, D.H.

    2007-01-01

    It was shown in previous study that the fracture toughness of carbon/epoxy laminated composites could be significantly improved by modifying the surface of the prepreg using Ar + irradiation in an oxygen environment. In this study, the surface of carbon/epoxy prepreg was modified using an oxygen plasma to improve the delamination resistance behavior of carbon/epoxy laminated composites. The variation of the contact angle on the prepreg surface was determined as a function of the modification time, in order to determine the optimal modification time. An XPS analysis was conducted to investigate the chemical changes on the surface of the prepreg caused by the plasma modification. Mode I delamination resistance curves of the composites with and without surface modification were plotted as a function of the delamination increment. The results showed that the contact angle varied from ∼64 o to ∼47 o depending on the modification time and reached a minimum for a modification time of 30 min. The XPS analysis showed that the hydrophilic carbonyl C=O group was formed by the oxygen plasma modification. The results also showed that the delamination resistance behavior was significantly improved by the plasma modification of the prepreg. This improvement was caused by the better layer-to-layer adhesion as well as increased interfacial strength between the fibers and matrix

  8. Improvement of Surface Wettability and Hydrophilization of Poly-paraphenylene benzobisoxazole Fiber with Fibrillation Combined Oxygen Plasma Treatment

    Directory of Open Access Journals (Sweden)

    Xiwen Wang

    2012-01-01

    Full Text Available A new surface modification method fibrillation combined with oxygen plasma treatment to improve the wettability and hydrophily of PBO fiber was studied in this paper. The surface chemical structure and morphology of PBO fiber were characterized by the methods of FTIR, XPS and SEM. The wettability and hydrophlic characters changes on the surface were evaluated by the dynamic contact angle system and image analysis. The results show that the increase surface roughness by fibrillation could improve the wettability. Fibrillation combined oxygen plasma treatment has a better effect than oxygen plasma treatment to improve the wettability and hdyrophlization of PBO fiber. The specific area of PBO fiber increased to 10.7 m2/g from 0.7 m2/g, contact angle decreased to 43.2° from 84.4° and WRV increased to 208.4% from 13.7%. The modified fibers have a good dispersion in water for hydrophilization improvement.

  9. Surface group amalgams that (don't) act on 3-manifolds

    OpenAIRE

    Hruska, G. Christopher; Stark, Emily; Tran, Hung Cong

    2017-01-01

    We determine which amalgamated products of surface groups identified over multiples of simple closed curves are not fundamental groups of 3-manifolds. We prove each surface amalgam considered is virtually the fundamental group of a 3-manifold. We prove that each such surface group amalgam is abstractly commensurable to a right-angled Coxeter group from a related family. In an appendix, we determine the quasi-isometry classes among these surface amalgams and their related right-angled Coxeter ...

  10. Optical characterization of surface and interface oxygen content in YBa2Cu3O/sub x/

    International Nuclear Information System (INIS)

    Kelly, M.K.; Chan, S.; Jenkin, K. II; Aspnes, D.E.; Barboux, P.; Tarascon, J.

    1988-01-01

    Because YBa 2 Cu 3 O/sub x/ exists over a range of oxygen content and low oxygen material is nonsuperconducting, it is important to be able to measure and control this parameter for application purposes. We present an optical technique for determining oxygen loss at surfaces and interfaces, where processing and contacts with other materials may affect composition and where usual techniques are insensitive. Using a strong absorption feature at 4.1 eV which appears at low oxygen composition, we find that overlayers of Al and In remove oxygen from YBa 2 Cu 3 O/sub x/, but Ag, Au, and room-temperature exposure to moderate vacuum do not

  11. Ab initio R1 mechanism of photostimulated oxygen isotope exchange reaction on a defect TiO2 surface: The case of terminal oxygen atom exchange

    Science.gov (United States)

    Kevorkyants, Ruslan; Sboev, Mikhail. N.; Chizhov, Yuri V.

    2017-05-01

    Based on density functional theory we propose R1 mechanism of photostimulated oxygen isotope exchange (POIEx) reaction between 16O18O and terminal oxygen atom of a defect TiO2 surface, which is modeled by amorphous Ti8O16 nanocluster in excited S1 electronic state. The proposed mechanism involves four adsorption intermediates and five transition states. The computed activation energy of the POIEx equals 0.24 eV. The computed g-tensors of the predicted ozonide O3- chemisorption species match well EPR data on O2 adsorption on UV-irradiated nanocrystalline TiO2. This match serves a mean of justification of the proposed R1 mechanism of the POIEx reaction. In addition, it is found that the proposed R1 POIEx reaction's mechanism differs from R1 mechanism of thermo-assisted OIEx reaction on a surface of supported vanadium oxide catalyst VOx/TiO2 reported earlier.

  12. Photocatalytic Conversion of Nitrogen to Ammonia with Water on Surface Oxygen Vacancies of Titanium Dioxide.

    Science.gov (United States)

    Hirakawa, Hiroaki; Hashimoto, Masaki; Shiraishi, Yasuhiro; Hirai, Takayuki

    2017-08-09

    Ammonia (NH 3 ) is an essential chemical in modern society. It is currently manufactured by the Haber-Bosch process using H 2 and N 2 under extremely high-pressure (>200 bar) and high-temperature (>673 K) conditions. Photocatalytic NH 3 production from water and N 2 at atmospheric pressure and room temperature is ideal. Several semiconductor photocatalysts have been proposed, but all suffer from low efficiency. Here we report that a commercially available TiO 2 with a large number of surface oxygen vacancies, when photoirradiated by UV light in pure water with N 2 , successfully produces NH 3 . The active sites for N 2 reduction are the Ti 3+ species on the oxygen vacancies. These species act as adsorption sites for N 2 and trapping sites for the photoformed conduction band electrons. These properties therefore promote efficient reduction of N 2 to NH 3 . The solar-to-chemical energy conversion efficiency is 0.02%, which is the highest efficiency among the early reported photocatalytic systems. This noble-metal-free TiO 2 system therefore shows a potential as a new artificial photosynthesis for green NH 3 production.

  13. Power System Mass Analysis for Hydrogen Reduction Oxygen Production on the Lunar Surface

    Science.gov (United States)

    Colozza, Anthony J.

    2009-01-01

    The production of oxygen from the lunar regolith requires both thermal and electrical power in roughly similar proportions. This unique power requirement is unlike most applications on the lunar surface. To efficiently meet these requirements, both solar PV array and solar concentrator systems were evaluated. The mass of various types of photovoltaic and concentrator based systems were calculated to determine the type of power system that provided the highest specific power. These were compared over a range of oxygen production rates. Also a hybrid type power system was also considered. This system utilized a photovoltaic array to produce the electrical power and a concentrator to provide the thermal power. For a single source system the three systems with the highest specific power were a flexible concentrator/Stirling engine system, a rigid concentrator/Stirling engine system and a tracking triple junction solar array system. These systems had specific power values of 43, 34, and 33 W/kg, respectively. The hybrid power system provided much higher specific power values then the single source systems. The best hybrid combinations were the triple junction solar array with the flexible concentrator and the rigid concentrator. These systems had a specific power of 81 and 68 W/kg, respectively.

  14. Plasma-polymerized SiOx deposition on polymer film surfaces for preparation of oxygen gas barrier polymeric films

    International Nuclear Information System (INIS)

    Inagaki, N.

    2003-01-01

    SiOx films were deposited on surfaces of three polymeric films, PET, PP, and Nylon; and their oxygen gas barrier properties were evaluated. To mitigate discrepancies between the deposited SiOx and polymer film, surface modification of polymer films was done, and how the surface modification could contribute to was discussed from the viewpoint of apparent activation energy for the permeation process. The SiOx deposition on the polymer film surfaces led to a large decrease in the oxygen permeation rate. Modification of polymer film surfaces by mans of the TMOS or Si-COOH coupling treatment in prior to the SiOx deposition was effective in decreasing the oxygen permeation rate. The cavity model is proposed as an oxygen permeation process through the SiOx-deposited Nylon film. From the proposed model, controlling the interface between the deposited SiOx film and the polymer film is emphasized to be a key factor to prepare SiOx-deposited polymer films with good oxygen gas barrier properties. (author)

  15. Colossal positive magnetoresistance in surface-passivated oxygen-deficient strontium titanite

    KAUST Repository

    David, Adrian

    2015-05-15

    Modulation of resistance by an external magnetic field, i.e. magnetoresistance effect, has been a long-lived theme of research due to both fundamental science and device applications. Here we report colossal positive magnetoresistance (CPMR) (>30,000% at a temperature of 2 K and a magnetic field of 9 T) discovered in degenerate semiconducting strontium titanite (SrTiO3) single crystals capped with ultrathin SrTiO3/LaAlO3 bilayers. The low-pressure high-temperature homoepitaxial growth of several unit cells of SrTiO3 introduces oxygen vacancies and high-mobility carriers in the bulk SrTiO3, and the three-unit-cell LaAlO3 capping layer passivates the surface and improves carrier mobility by suppressing surface-defect-related scattering. The coexistence of multiple types of carriers and inhomogeneous transport lead to the emergence of CPMR. This unit-cell-level surface engineering approach is promising to be generalized to others oxides, and to realize devices with high-mobility carriers and interesting magnetoelectronic properties.

  16. Surface functionalization of titanium dioxide nanoparticles: Photo-stability and reactive oxygen species (ROS) generation

    Science.gov (United States)

    Louis, Kacie M.

    Metal oxide nanoparticles are becoming increasingly prevalent in society for applications of sunscreens, cosmetics, paints, biomedical imaging, and photovoltaics. Due to the increased surface area to volume ratio of nanoparticles compared to bulk materials, it is important to know the health and safety impacts of these materials. One mechanism of toxicity of nominally "safe" materials such as TiO 2 is through the photocatalytic generation of reactive oxygen species (ROS). ROS production and ligand degradation can affect the bioavailability of these particles in aqueous organisms. We have investigated ROS generation by functionalized TiO2 nanoparticles and its influence on aggregation and bioavailability and toxicity to zebrafish embryos/larvae. For these studies we investigated anatase TiO2 nanoparticles. For application purposes and solution stability, the TiO2 nanoparticles were functionalized with a variety of ligands such as citrate, 3,4-dihydroxybenzaldehyde, and ascorbate. We quantitatively examined the amount of ROS produced in aqueous solution using fluorescent probes and see that more ROS is produced under UV light than in the dark control. Our measurements show that TiO2 toxicity reaches a maximum for nanoparticles with smaller diameters, and is correlated with surface area dependent changes in ROS generation. In an effort to reduce toxicity through control of the surface and surface ligands, we synthesized anatase nanoparticles of different sizes, functionalized them with different ligands, and examined the resulting ROS generation and ligand stability. Using a modular ligand containing a hydrophobic inner region and a hydrophilic outer region, we synthesized water-stable nanoparticles, via two different chemical reactions, having much-reduced ROS generation and thus reduced toxicity. These results suggest new strategies for making safer nanoparticles while still retaining their desired properties. We also examine the degradation of the different ligands

  17. Ab initio R1 mechanism of photostimulated oxygen isotope exchange reaction on a defect TiO{sub 2} surface: The case of terminal oxygen atom exchange

    Energy Technology Data Exchange (ETDEWEB)

    Kevorkyants, Ruslan, E-mail: ruslan.kevorkyants@gmail.com; Sboev, Mikhail N.; Chizhov, Yuri V.

    2017-05-01

    Highlights: • DFT R1 mechanism of photostimulated oxygen isotope exchange between {sup 16}O{sup 18}O and terminal oxygen atom of a defect surface of nanocrystalline TiO{sub 2} is proposed. • The mechanism involves four adsorption intermediates and five transition states. • Activation energy of the reaction is 0.24 eV. • G-tensors of O{sub 3}{sup −} intermediates match EPR data on O{sub 2} adsorbed on UV-irradiated TiO{sub 2} surface. - Abstract: Based on density functional theory we propose R1 mechanism of photostimulated oxygen isotope exchange (POIEx) reaction between {sup 16}O{sup 18}O and terminal oxygen atom of a defect TiO{sub 2} surface, which is modeled by amorphous Ti{sub 8}O{sub 16} nanocluster in excited S{sup 1} electronic state. The proposed mechanism involves four adsorption intermediates and five transition states. The computed activation energy of the POIEx equals 0.24 eV. The computed g-tensors of the predicted ozonide O{sub 3}{sup −} chemisorption species match well EPR data on O{sub 2} adsorption on UV-irradiated nanocrystalline TiO{sub 2}. This match serves a mean of justification of the proposed R1 mechanism of the POIEx reaction. In addition, it is found that the proposed R1 POIEx reaction’s mechanism differs from R1 mechanism of thermo-assisted OIEx reaction on a surface of supported vanadium oxide catalyst VO{sub x}/TiO{sub 2} reported earlier.

  18. Active Pt3Ni (111) Surface of Pt3Ni Icosahedron for Oxygen Reduction.

    Science.gov (United States)

    Zhu, Jianbing; Xiao, Meiling; Li, Kui; Liu, Changpeng; Zhao, Xiao; Xing, Wei

    2016-11-09

    Highly active, durable oxygen reduction reaction (ORR) electrocatalysts are extremely important for fuel cell applications. Herein, we provide an efficient way to synthesis of activity Pt 3 M icosahedra by the one-pot hydrothermal method in the presence of glucosamine which can well adjust the reduction rate of Pt 4+ and efficiently control the morphology of final catalysts. Compared to Pt/C, the Pt 3 Ni icosahedra show 32-fold and 12-fold enhancement in specific and mass activity, respectively. Furthermore, robust durability was also observed in the accelerated durability test. Thus, this Pt 3 Ni icosahedron is found among the best Pt-based ORR catalysts, moreover, the findings also demonstrate how to mimic active extended surfaces in nanoscale.

  19. Reactivity of group IV (100) semiconductor surfaces towards organic compounds

    Science.gov (United States)

    Wang, George T.

    The reactions of simple and multifunctional organic compounds with the clean silicon, germanium, and diamond (100)-2 x 1 semiconductor surfaces have been investigated using a combination of multiple internal reflection infrared spectroscopy and quantum chemistry density functional theory calculations. From these studies, an improved understanding of the atomic level reactivity of these semiconductor surfaces has been obtained, along with insights into how to achieve their selective coupling with organics of desired and varied functionality. In addition to the Si(100) and Ge(100) surfaces, our results show that cycloaddition chemistry can also be extended to the diamond (100) surface. At room temperature, 1,3-butadiene was found to form a Diels-Alder product with the diamond (100) surface, as evidenced by isotopic substitution experiments and comparison of the surface adduct with its direct molecular analogue, cyclohexene. The reactions of other classes of molecules in addition to alkenes on the Si(100) and Ge(100) surfaces, including a series of five-membered cyclic amines, were also examined. For tertiary aliphatic amines on Si(100) and both secondary and tertiary aliphatic amines on Ge(100), a majority of the molecules were observed to become stably trapped in dative-bonded precursor states rather than form energetically favorable dissociation products. For pyrrole, aromaticity was found to play a defining role in its reactivity, and a comparison of its molecular and surface reactivity reveals interesting similarities. To probe the factors controlling the selectivity of organic reactions on clean semiconductor surfaces, the adsorption of acetone and a series of unsaturated ketones was also investigated. The reaction of acetone on Ge(100) was found to be under thermodynamic control at room temperature, resulting in the formation of an "ene" product rather than the kinetically favored [2+2] C=O cycloaddition product previously observed on the Si(100) surface. In

  20. Crossed beam reactive scattering of oxygen atoms and surface scattering studies of gaseous condensation

    International Nuclear Information System (INIS)

    Sibener, S.J.

    1979-09-01

    A high pressure, radio frequency discharge nozzle beam source was developed for the production of very intense (greater than or equal to 10 18 atoms sr -1 sec -1 ) supersonic beams of oxygen atoms. This source is capable of producing seeded beams of ground state O( 3 P/sub J/) atoms when dilute oxygen-argon mixtures are used, with molecular dissociation levels exceeding 80% being realized for operation at pressures up to 350 torr. When dilute oxygen-helium mixtures are employed both ground state O( 3 P/sub J/) and excited state O( 1 D 2 ) atoms are present in the terminal beam, with molecular dissociation levels typically exceeding 60% being achieved for operation at pressures up to 200 torr. Atomic oxygen mean translational energies from 0.14 to 0.50 eV were obtained using the seeded beams technique, with Mach numbers as high as 10 (FWHM Δ v/v approx. = 20%) being realized. The IC1, CF 3 I, C 6 H 6 , and C 6 D 6 reactions are discussed in detail. The IC1 and CF 3 I studies have enabled us to determine an improved value for the bond energy of the IO radical: D/sub o/(IO) = 55 +- 2 kcal/mole. The IO product angular and velocity distributions have been used to generate center-of-mass flux contour maps, which indicate that these two reactions proceed via relatively long-lived collision complexes whose mean lifetimes are slightly shorter than their respective rotational periods. The O( 3 P/sub J/) + C 6 H 6 and C 6 D 6 reactions were studied in order to elucidate the reaction mechanism, and, in particular, to identify the primary reaction products produced in these reactions. Finally, a series of beam-surface scattering experiments are described which examined the internal and translational energy dependence of molecular condensation probabilities for collisions involving either CC1 4 or SF 6 and their respective condensed phases. 117 references

  1. Nickel-catalyzed enantioselective cross-couplings of racemic secondary electrophiles that bear an oxygen leaving group.

    Science.gov (United States)

    Oelke, Alexander J; Sun, Jianwei; Fu, Gregory C

    2012-02-15

    To date, effective nickel-catalyzed enantioselective cross-couplings of alkyl electrophiles that bear oxygen leaving groups have been limited to reactions of allylic alcohol derivatives with Grignard reagents. In this Communication, we establish that, in the presence of a nickel/pybox catalyst, a variety of racemic propargylic carbonates are suitable partners for asymmetric couplings with organozinc reagents. The method is compatible with an array of functional groups and utilizes commercially available catalyst components. The development of a versatile nickel-catalyzed enantioselective cross-coupling process for electrophiles that bear a leaving group other than a halide adds a significant new dimension to the scope of these reactions.

  2. A first principles investigation of the oxygen adsorption on Zr(0001) surface using cluster expansions

    Science.gov (United States)

    Samin, Adib J.; Taylor, Christopher D.

    2017-11-01

    The design of corrosion resistant zircalloys is important for a variety of technological applications ranging from medicine to the nuclear industry. Since corrosion resistance is mainly attributed to the formation of a surface oxide layer, developing a detailed understanding of this process may assist in future corrosion resistance design. In this work, we conduct a systematic multi-scale investigation of the early stages of oxide formation. This was accomplished by first using a database of fully relaxed DFT calculations to build a cluster-expansion description of the potential function. The developed potential was reasonably good at predicting DFT energies as evidenced by the cross-validation score of 4.4 meV/site. The effective cluster expansion parameters were indicative of repulsive adsorbate interactions in the adlayer in agreement with the literature. The potential then allowed for a systematic investigation of the oxygen configurations on the Zr(0001) surface via Monte Carlo simulations. The adsorption energy was recorded as a function of coverage and an increasing trend was observed in agreement with DFT predictions and the repulsive nature of interactions in the adlayer. The convex hull diagram was recorded indicating the most stable configuration to occur around a coverage of 0.6 ML. The adsorption isotherm was also recorded and contrasted for two temperatures relevant for different applications.

  3. 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.

  4. The Bauru group: a continental Cretaceous unit in Brazil - Concepts based on micropaleontological, oxygen isotope and stratigraphical data

    OpenAIRE

    Dias-Brito, D. [UNESP; Musacchio, E. A. [UNESP; de Castro, J. C. [UNESP; Maranhiao, M. S A S [UNESP; Suárez, J. M. [UNESP; Rodrigues, R. [UNESP

    2001-01-01

    The integration of outcrop and subsurface information, including micropaleontological data, facies and sequence stratigraphic studies, and oxygen isotope analysis, allow us to present a new stratigraphic model for the Cretaceous continental deposits of the Bauru Group, Brazil. Thirty-eight fossil taxa were recovered from these deposits, including 29 species of ostracodes and 9 species of charophytes. Seven of these ostracode species and three subspecies are new and formally described here. Th...

  5. Polymerization of Phenylacetylene-Based Monodendrons with Alkoxy Peripheral Groups and Oxygen/Nitrogen Permeation Behavior of Their Membranes

    Directory of Open Access Journals (Sweden)

    Takashi Kaneko

    2012-01-01

    Full Text Available Monodendron monomers with alkoxy peripheral groups were synthesized, and the focal point of monodendrons, terminal acetylene, was polymerized with rhodium catalyst to yield corresponding polydendrons with a high molecular weight. The polydendrons were soluble in common organic solvents and readily formed membranes. Oxygen permselectivity was improved in the polydendrons with a space-persistent dendritic crowd. It was found that the well-defined dendritic and rod-like structure of the polydendrons was useful for permselective membrane.

  6. E-Polytopes in Picard Groups of Smooth Rational Surfaces

    Directory of Open Access Journals (Sweden)

    Jae-Hyouk Lee

    2016-04-01

    Full Text Available In this article, we introduce special divisors (root, line, ruling, exceptional system and rational quartic in smooth rational surfaces and study their correspondences to subpolytopes in Gosset polytopes k 21 . We also show that the sets of rulings and exceptional systems correspond equivariantly to the vertices of 2 k 1 and 1 k 2 via E-type Weyl action.

  7. Group VII Ethylene Response Factors Coordinate Oxygen and Nitric Oxide Signal Transduction and Stress Responses in Plants.

    Science.gov (United States)

    Gibbs, Daniel J; Conde, Jorge Vicente; Berckhan, Sophie; Prasad, Geeta; Mendiondo, Guillermina M; Holdsworth, Michael J

    2015-09-01

    The group VII ethylene response factors (ERFVIIs) are plant-specific transcription factors that have emerged as important regulators of abiotic and biotic stress responses, in particular, low-oxygen stress. A defining feature of ERFVIIs is their conserved N-terminal domain, which renders them oxygen- and nitric oxide (NO)-dependent substrates of the N-end rule pathway of targeted proteolysis. In the presence of these gases, ERFVIIs are destabilized, whereas an absence of either permits their accumulation; ERFVIIs therefore coordinate plant homeostatic responses to oxygen availability and control a wide range of NO-mediated processes. ERFVIIs have a variety of context-specific protein and gene interaction partners, and also modulate gibberellin and abscisic acid signaling to regulate diverse developmental processes and stress responses. This update discusses recent advances in our understanding of ERFVII regulation and function, highlighting their role as central regulators of gaseous signal transduction at the interface of ethylene, oxygen, and NO signaling. © 2015 American Society of Plant Biologists. All Rights Reserved.

  8. Hypothesized link between Neoproterozoic greening of the land surface and the establishment of an oxygen-rich atmosphere

    Science.gov (United States)

    Kump, Lee R.

    2014-01-01

    Considerable geological, geochemical, paleontological, and isotopic evidence exists to support the hypothesis that the atmospheric oxygen level rose from an Archean baseline of essentially zero to modern values in two steps roughly 2.3 billion and 0.8–0.6 billion years ago (Ga). The first step in oxygen content, the Great Oxidation Event, was likely a threshold response to diminishing reductant input from Earth’s interior. Here I provide an alternative to previous suggestions that the second step was the result of the establishment of the first terrestrial fungal–lichen ecosystems. The consumption of oxygen by aerobes respiring this new source of organic matter in soils would have necessitated an increase in the atmospheric oxygen content to compensate for the reduced delivery of oxygen to the weathering environment below the organic-rich upper soil layer. Support for this hypothesis comes from the observed spread toward more negative carbon isotope compositions in Neoproterozoic (1.0–0.542 Ga) and younger limestones altered under the influence of ground waters, and the positive correlation between the carbon isotope composition and oxygen content of modern ground waters in contact with limestones. Thus, the greening of the planet’s land surfaces forced the atmospheric oxygen level to a new, higher equilibrium state. PMID:25225378

  9. Roles of Bulk and Surface Chemistry in the Oxygen Exchange Kinetics and Related Properties of Mixed Conducting Perovskite Oxide Electrodes

    Directory of Open Access Journals (Sweden)

    Nicola H. Perry

    2016-10-01

    Full Text Available Mixed conducting perovskite oxides and related structures serving as electrodes for electrochemical oxygen incorporation and evolution in solid oxide fuel and electrolysis cells, respectively, play a significant role in determining the cell efficiency and lifetime. Desired improvements in catalytic activity for rapid surface oxygen exchange, fast bulk transport (electronic and ionic, and thermo-chemo-mechanical stability of oxygen electrodes will require increased understanding of the impact of both bulk and surface chemistry on these properties. This review highlights selected work at the International Institute for Carbon-Neutral Energy Research (I2CNER, Kyushu University, set in the context of work in the broader community, aiming to characterize and understand relationships between bulk and surface composition and oxygen electrode performance. Insights into aspects of bulk point defect chemistry, electronic structure, crystal structure, and cation choice that impact carrier concentrations and mobilities, surface exchange kinetics, and chemical expansion coefficients are emerging. At the same time, an understanding of the relationship between bulk and surface chemistry is being developed that may assist design of electrodes with more robust surface chemistries, e.g., impurity tolerance or limited surface segregation. Ion scattering techniques (e.g., secondary ion mass spectrometry, SIMS, or low energy ion scattering spectroscopy, LEIS with high surface sensitivity and increasing lateral resolution are proving useful for measuring surface exchange kinetics, diffusivity, and corresponding outer monolayer chemistry of electrodes exposed to typical operating conditions. Beyond consideration of chemical composition, the use of strain and/or a high density of active interfaces also show promise for enhancing performance.

  10. The coupling effect of gas-phase chemistry and surface reactions on oxygen permeation and fuel conversion in ITM reactors

    KAUST Repository

    Hong, Jongsup

    2015-08-01

    © 2015 Elsevier B.V. The effect of the coupling between heterogeneous catalytic reactions supported by an ion transport membrane (ITM) and gas-phase chemistry on fuel conversion and oxygen permeation in ITM reactors is examined. In ITM reactors, thermochemical reactions take place in the gas-phase and on the membrane surface, both of which interact with oxygen permeation. However, this coupling between gas-phase and surface chemistry has not been examined in detail. In this study, a parametric analysis using numerical simulations is conducted to investigate this coupling and its impact on fuel conversion and oxygen permeation rates. A thermochemical model that incorporates heterogeneous chemistry on the membrane surface and detailed chemical kinetics in the gas-phase is used. Results show that fuel conversion and oxygen permeation are strongly influenced by the simultaneous action of both chemistries. It is shown that the coupling somewhat suppresses the gas-phase kinetics and reduces fuel conversion, both attributed to extensive thermal energy transfer towards the membrane which conducts it to the air side and radiates to the reactor walls. The reaction pathway and products, in the form of syngas and C2 hydrocarbons, are also affected. In addition, the operating regimes of ITM reactors in which heterogeneous- or/and homogeneous-phase reactions predominantly contribute to fuel conversion and oxygen permeation are elucidated.

  11. First principles investigation of the activity of thin film Pt, Pd and Au surface alloys for oxygen reduction

    DEFF Research Database (Denmark)

    Tripkovic, Vladimir; Hansen, Heine Anton; Rossmeisl, Jan

    2015-01-01

    driving force for surface segregation, diffusion to defects or surface self-assembling. On the basis of stability and activity analysis we conclude that the near surface alloy of Pd in Pt and some PdAu binary and PtPdAu ternary thin films with a controlled amount of Au are the best catalysts for oxygen......Further advances in fuel cell technologies are hampered by kinetic limitations associated with the sluggish cathodic oxygen reduction reaction. We have investigated a range of different formulations of binary and ternary Pt, Pd and Au thin films as electrocatalysts for oxygen reduction. The most...... active binary thin films are near-surface alloys of Pt with subsurface Pd and certain PdAu and PtAu thin films with surface and/or subsurface Au. The most active ternary thin films are with pure metal Pt or Pd skins with some degree of Au in the surface and/or subsurface layer and the near-surface alloys...

  12. Surface reaction mechanisms during ozone and oxygen plasma assisted atomic layer deposition of aluminum oxide.

    Science.gov (United States)

    Rai, Vikrant R; Vandalon, Vincent; Agarwal, Sumit

    2010-09-07

    We have elucidated the reaction mechanism and the role of the reactive intermediates in the atomic layer deposition (ALD) of aluminum oxide from trimethyl aluminum in conjunction with O(3) and an O(2) plasma. In situ attenuated total reflection Fourier transform infrared spectroscopy data show that both -OH groups and carbonates are formed on the surface during the oxidation cycle. These carbonates, once formed on the surface, are stable to prolonged O(3) exposure in the same cycle. However, in the case of plasma-assisted ALD, the carbonates decompose upon prolonged O(2) plasma exposure via a series reaction kinetics of the type, A (CH(3)) --> B (carbonates) --> C (Al(2)O(3)). The ratio of -OH groups to carbonates on the surface strongly depends on the oxidizing agent, and also the duration of the oxidation cycle in plasma-assisted ALD. However, in both O(3) and O(2) plasma cycles, carbonates are a small fraction of the total number of reactive sites compared to the hydroxyl groups.

  13. A DFT study of the interplay between dopants and oxygen functional groups over the graphene basal plane - implications in energy-related applications.

    Science.gov (United States)

    Dobrota, Ana S; Pašti, Igor A; Mentus, Slavko V; Skorodumova, Natalia V

    2017-03-22

    Understanding the ways graphene can be functionalized is of great importance for many contemporary technologies. Using density functional theory calculations we investigate how vacancy formation and substitutional doping by B, N, P and S affect the oxidizability and reactivity of the graphene basal plane. We find that the presence of these defects enhances the reactivity of graphene. In particular, these sites act as strong attractors for OH groups, suggesting that the oxidation of graphene could start at these sites or that these sites are the most difficult to reduce. Scaling between the OH and H adsorption energies is found on both reduced and oxidized doped graphene surfaces. Using the O 2 molecule as a probe we show that a proper modelling of doped graphene materials has to take into account the presence of oxygen functional groups.

  14. No oxygen isotope exchange between water and APS-sulfate at surface temperature: Evidence from quantum chemical modeling and triple-oxygen isotope experiments

    Science.gov (United States)

    Kohl, Issaku E.; Asatryan, Rubik; Bao, Huiming

    2012-10-01

    In both laboratory experiments and natural environments where microbial dissimilatory sulfate reduction (MDSR) occurs in a closed system, the δ34S ((34S/32S)sample/(34S/32S)standard - 1) for dissolved SO42- has been found to follow a typical Rayleigh-Distillation path. In contrast, the corresponding δ18O ((18O/16O)sample/(18O/16O)standard) - 1) is seen to plateau with an apparent enrichment of between 23‰ and 29‰ relative to that of ambient water under surface conditions. This apparent steady-state in the observed difference between δ18O and δ18OO can be attributed to any of these three steps: (1) the formation of adenosine-5'-phosphosulfate (APS) from ATP and SO42-, (2) oxygen exchange between sulfite (or other downstream sulfoxy-anions) and water later in the MDSR reaction chain and its back reaction to APS and sulfate, and (3) the re-oxidation of produced H2S or precursor sulfoxy-anions to sulfate in environments containing Fe(III) or O2. This study examines the first step as a potential pathway for water oxygen incorporation into sulfate. We examined the structures and process of APS formation using B3LYP/6-31G(d,p) hybrid density functional theory, implemented in the Gaussian-03 program suite, to predict the potential for oxygen exchange. We conducted a set of in vitro, enzyme-catalyzed, APS formation experiments (with no further reduction to sulfite) to determine the degree of oxygen isotope exchange between the APS-sulfate and water. Triple-oxygen-isotope labeled water was used in the reactor solutions to monitor oxygen isotope exchange between water and APS sulfate. The formation and hydrolysis of APS were identified as potential steps for oxygen exchange with water to occur. Quantum chemical modeling indicates that the combination of sulfate with ATP has effects on bond strength and symmetry of the sulfate. However, these small effects impart little influence on the integrity of the SO42- tetrahedron due to the high activation energy required for

  15. Low energy oxygen ion beam modification of the surface morphology and chemical structure of polyurethane fibers

    International Nuclear Information System (INIS)

    Wong, K.H.; Zinke-Allmang, M.; Wan, W.K.; Zhang, J.Z.; Hu, P.

    2006-01-01

    Energetic O + ions were implanted into polyurethane (PU) fiber filaments, at 60 and 100 keV with doses of 5 x 10 14 and 1 x 10 15 ions/cm 2 , to modify the near-surface fiber morphology. The implantations were performed at room temperature and at -197 deg. C, a temperature well below the glass transition temperature for this system. At room temperature, the lower energy implantation heats the fibers primarily near their surface, causing the fiber surface to smoothen and to develop a flattened shape. At the higher energy, the ion beam deposits its energy closer to the fiber core, heating the fiber more uniformly and causing them to re-solidify slowly. This favors a cylindrical equilibrium shape with a smooth fiber surface and no crack lines. The average fiber diameter reduced during 100 keV implantation from 3.1 to 2.3 μm. At -197 deg. C, the ion implantation does not provide enough heat to cause notable physical modifications, but the fibers crack and break during subsequent warming to room temperature. The dose dependence of the crack formation along the fiber intersections is presented. The ion beams further cause near-surface chemical modifications in the fibers, particularly introducing two new chemical functional groups (C-(C=O)-C and C-N-C)

  16. Graphs of groups on surfaces interactions and models

    CERN Document Server

    White, AT

    2001-01-01

    The book, suitable as both an introductory reference and as a text book in the rapidly growing field of topological graph theory, models both maps (as in map-coloring problems) and groups by means of graph imbeddings on sufaces. Automorphism groups of both graphs and maps are studied. In addition connections are made to other areas of mathematics, such as hypergraphs, block designs, finite geometries, and finite fields. There are chapters on the emerging subfields of enumerative topological graph theory and random topological graph theory, as well as a chapter on the composition of English

  17. Monolayer group-III monochalcogenides by oxygen functionalization: a promising class of two-dimensional topological insulators

    Science.gov (United States)

    Zhou, Si; Liu, Cheng-Cheng; Zhao, Jijun; Yao, Yugui

    2018-03-01

    Monolayer group-III monochalcogenides (MX, M = Ga, In; X = S, Se, Te), an emerging category of two-dimensional (2D) semiconductors, hold great promise for electronics, optoelectronics and catalysts. By first-principles calculations, we show that the phonon dispersion and Raman spectra, as well as the electronic and topological properties of monolayer MX can be tuned by oxygen functionalization. Chemisorption of oxygen atoms on one side or both sides of the MX sheet narrows or even closes the band gap, enlarges work function, and significantly reduces the carrier effective mass. More excitingly, InS, InSe, and InTe monolayers with double-side oxygen functionalization are 2D topological insulators with sizeable bulk gap up to 0.21 eV. Their low-energy bands near the Fermi level are dominated by the px and py orbitals of atoms, allowing band engineering via in-plane strains. Our studies provide viable strategy for realizing quantum spin Hall effect in monolayer group-III monochalcogenides at room temperature, and utilizing these novel 2D materials for high-speed and dissipationless transport devices.

  18. Impacts of anions on the oxygen reduction reaction kinetics on platinum and palladium surfaces in alkaline solutions.

    Science.gov (United States)

    Zhu, Shangqian; Hu, Xiaomeng; Shao, Minhua

    2017-03-15

    The fundamental understanding of the impacts induced by anions on oxygen reduction reaction (ORR) in alkaline media is of great importance in the design of more advanced catalysts for alkaline fuel cells (AFC). In this study, the specific adsorption of F - , Cl - , ClO 4 - , CO 3 2- , SO 4 2- , and citrate anions on Pt/C and Pd/C catalysts, and their impacts on the ORR kinetics in alkaline solutions were systematically studied. It was found that F - , Cl - and ClO 4 - did not specifically adsorb on Pt or Pd surfaces and had no poisoning effect on ORR. CO 3 2- and SO 4 2- had significant effects on Pt/C and lowered the activity even at a very low concentration. On the other hand, their impacts on Pd/C were negligible. Self-dissociation of citrate anions was found to occur on both Pt/C and Pd/C in the H adsorption/desorption and double layer regions. For the first time, surface enhanced infrared absorption spectroscopy (SEIRAS) with the attenuated total reflection (ATR) technique was used to investigate the self-dissociation of citrate on Pt and Pd thin film electrodes. The breaking of carboxylic groups and the carbon backbone was proposed as a possible dissociation pathway for citrate. The adsorbed species have a negligible effect on ORR activity on Pt/C as they are removed by oxidation before 0.75 V. In contrast, their oxidation on Pd/C surfaces is not completed until 0.91 V, which causes a lower ORR activity observed in rotating disk electrode measurements. The findings in this paper emphasize the importance of specific adsorption of anions and double-layer interfacial effects on the ORR activity measurement in alkaline solutions.

  19. The Development of Nonlinear Surface and Internal Wave Groups.

    Science.gov (United States)

    1982-11-01

    porn (1971a3 observed groups of large amplitude waves propagating in Massachusetts Bay that seemed to rom tidal interaction with a submarine sill...provides a plan view of the tank and a platform for pictures or movies (Fig. 2.2). For these experiments the measurements from 18 wave height sensors

  20. Sunspot Groups as Tracers of Sub Surface Processes .

    Indian Academy of Sciences (India)

    tribpo

    work which is incomplete. 2. Solar magnetic cycle as global MHD oscillations. Using lifespan of a sunspot group as a measure of toroidal magnetic flux emerging during its life, and attaching to it the sign of polarity of bipolar magnetic regions in the respective wing of the butterfly diagram, Gokhale et al. (1992) determined.

  1. Homologie cyclique du produit croise algebrique et groupes de surfaces

    NARCIS (Netherlands)

    Bella Baci, A.

    1997-01-01

    Let a group G act on an associative algebra A One can form the algebraic crossed product A G cf which plays the role of a noncommutative quotient in Conness theory The cyclic homology of this algebra was studied extensively in a series of papers It is well known that this homology admits a

  2. Oxygen isotope evidence for sorption of molecular oxygen to pyrite surface sites and incorporation into sulfate in oxidation experiments

    International Nuclear Information System (INIS)

    Tichomirowa, Marion; Junghans, Manuela

    2009-01-01

    Experiments were conducted to investigate (i) the rate of O-isotope exchange between SO 4 and water molecules at low pH and surface temperatures typical for conditions of acid mine drainage (AMD) and (ii) the O- and S-isotope composition of sulfates produced by pyrite oxidation under closed and open conditions (limited and free access of atmospheric O 2 ) to identify the O source/s in sulfide oxidation (water or atmospheric molecular O 2 ) and to better understand the pyrite oxidation pathway. An O-isotope exchange between SO 4 and water was observed over a pH range of 0-2 only at 50 deg. C, whereas no exchange occurred at lower temperatures over a period of 8 a. The calculated half-time of the exchange rate for 50 deg. C (pH = 0 and 1) is in good agreement with former experimental data for higher and lower temperatures and excludes the possibility of isotope exchange for typical AMD conditions (T ≤ 25 deg. C, pH ≥ 3) for decades. Pyrite oxidation experiments revealed two dependencies of the O-isotope composition of dissolved sulfates: O-isotope values decreased with longer duration of experiments and increasing grain size of pyrite. Both changes are interpreted as evidence for chemisorption of molecular O 2 to pyrite surface sites. The sorption of molecular O 2 is important at initial oxidation stages and more abundant in finer grained pyrite fractions and leads to its incorporation in the produced SO 4 . The calculated bulk contribution of atmospheric O 2 in the dissolved SO 4 reached up to 50% during initial oxidation stages (first 5 days, pH 2, fine-grained pyrite fraction) and decreased to less than 20% after about 100 days. Based on the direct incorporation of molecular O 2 in the early-formed sulfates, chemisorption and electron transfer of molecular O 2 on S sites of the pyrite surface are proposed, in addition to chemisorption on Fe sites. After about 10 days, the O of all newly-formed sulfates originates only from water, indicating direct interaction

  3. First principles investigation of the activity of thin film Pt, Pd and Au surface alloys for oxygen reduction

    DEFF Research Database (Denmark)

    Tripkovic, Vladimir; Hansen, Heine Anton; Rossmeisl, Jan

    2015-01-01

    active binary thin films are near-surface alloys of Pt with subsurface Pd and certain PdAu and PtAu thin films with surface and/or subsurface Au. The most active ternary thin films are with pure metal Pt or Pd skins with some degree of Au in the surface and/or subsurface layer and the near-surface alloys...... driving force for surface segregation, diffusion to defects or surface self-assembling. On the basis of stability and activity analysis we conclude that the near surface alloy of Pd in Pt and some PdAu binary and PtPdAu ternary thin films with a controlled amount of Au are the best catalysts for oxygen...

  4. Group IV nanocrystals with ion-exchangeable surface ligands and methods of making the same

    Energy Technology Data Exchange (ETDEWEB)

    Wheeler, Lance M.; Nichols, Asa W.; Chernomordik, Boris D.; Anderson, Nicholas C.; Beard, Matthew C.; Neale, Nathan R.

    2018-01-09

    Methods are described that include reacting a starting nanocrystal that includes a starting nanocrystal core and a covalently bound surface species to create an ion-exchangeable (IE) nanocrystal that includes a surface charge and a first ion-exchangeable (IE) surface ligand ionically bound to the surface charge, where the starting nanocrystal core includes a group IV element.

  5. Error sources in the retrieval of aerosol information over bright surfaces from satellite measurements in the oxygen A band

    Science.gov (United States)

    Nanda, Swadhin; de Graaf, Martin; Sneep, Maarten; de Haan, Johan F.; Stammes, Piet; Sanders, Abram F. J.; Tuinder, Olaf; Pepijn Veefkind, J.; Levelt, Pieternel F.

    2018-01-01

    Retrieving aerosol optical thickness and aerosol layer height over a bright surface from measured top-of-atmosphere reflectance spectrum in the oxygen A band is known to be challenging, often resulting in large errors. In certain atmospheric conditions and viewing geometries, a loss of sensitivity to aerosol optical thickness has been reported in the literature. This loss of sensitivity has been attributed to a phenomenon known as critical surface albedo regime, which is a range of surface albedos for which the top-of-atmosphere reflectance has minimal sensitivity to aerosol optical thickness. This paper extends the concept of critical surface albedo for aerosol layer height retrievals in the oxygen A band, and discusses its implications. The underlying physics are introduced by analysing the top-of-atmosphere reflectance spectrum as a sum of atmospheric path contribution and surface contribution, obtained using a radiative transfer model. Furthermore, error analysis of an aerosol layer height retrieval algorithm is conducted over dark and bright surfaces to show the dependence on surface reflectance. The analysis shows that the derivative with respect to aerosol layer height of the atmospheric path contribution to the top-of-atmosphere reflectance is opposite in sign to that of the surface contribution - an increase in surface brightness results in a decrease in information content. In the case of aerosol optical thickness, these derivatives are anti-correlated, leading to large retrieval errors in high surface albedo regimes. The consequence of this anti-correlation is demonstrated with measured spectra in the oxygen A band from the GOME-2 instrument on board the Metop-A satellite over the 2010 Russian wildfires incident.

  6. Substantial Oxygen Flux in Dual-Phase Membrane of Ceria and Pure Electronic Conductor by Tailoring the Surface.

    Science.gov (United States)

    Joo, Jong Hoon; Yun, Kyong Sik; Kim, Jung-Hwa; Lee, Younki; Yoo, Chung-Yul; Yu, Ji Haeng

    2015-07-15

    The oxygen permeation flux of dual-phase membranes, Ce0.9Gd0.1O2-δ-La0.7Sr0.3MnO3±δ (GDC/LSM), has been systematically studied as a function of their LSM content, thickness, and coating material. The electronic percolation threshold of this GDC/LSM membrane occurs at about 20 vol % LSM. The coated LSM20 (80 vol % GDC, 20 vol % LSM) dual-phase membrane exhibits a maximum oxygen flux of 2.2 mL·cm(-2)·min(-1) at 850 °C, indicating that to enhance the oxygen permeation flux, the LSM content should be adjusted to the minimum value at which electronic percolation is maintained. The oxygen ion conductivity of the dual-phase membrane is reliably calculated from oxygen flux data by considering the effects of surface oxygen exchange. Thermal cycling tests confirm the mechanical stability of the membrane. Furthermore, a dual-phase membrane prepared here with a cobalt-free coating remains chemically stable in a CO2 atmosphere at a lower temperature (800 °C) than has previously been achieved.

  7. Surface Modification of Direct-Current and Radio-Frequency Oxygen Plasma Treatments Enhance Cell Biocompatibility

    Directory of Open Access Journals (Sweden)

    Wan-Ching Chou

    2017-10-01

    Full Text Available The sand-blasting and acid etching (SLA method can fabricate a rough topography for mechanical fixation and long-term stability of titanium implant, but can not achieve early bone healing. This study used two kinds of plasma treatments (Direct-Current and Radio-Frequency plasma to modify the SLA-treated surface. The modification of plasma treatments creates respective power range and different content functional OH groups. The results show that the plasma treatments do not change the micron scale topography, and plasma-treated specimens presented super hydrophilicity. The X-ray photoelectron spectroscopy (XPS-examined result showed that the functional OH content of the RF plasma-treated group was higher than the control (SLA and DC treatment groups. The biological responses (protein adsorption, cell attachment, cell proliferation, and differentiation promoted after plasma treatments, and the cell responses, have correlated to the total content of amphoteric OH groups. The experimental results indicated that plasma treatments can create functional OH groups on SLA-treated specimens, and the RF plasma-treated SLA implant thus has potential for achievement of bone healing in early stage of implantation.

  8. Using electrochemistry - total internal refection imaging ellipsometry to monitor biochemical oxygen demand on the surface tethered polyelectrolyte modified electrode

    Science.gov (United States)

    Liu, Wei; Li, Meng; Lv, Bei'er; Chen, YanYan; Ma, Hongwei; Jin, Gang

    2015-03-01

    Our previous work has proposed an electrochemistry - total internal reflection imaging ellipsometry (EC-TIRIE) technique to observe the dissolved oxygen (DO) reduction on Clark electrode since high interface sensitivity makes TIRIE a useful tool to study redox reactions on the electrode surface. To amplify the optical signal noise ratio (OSNR), a surface tethered weak polyelectrolyte, carboxylated poly(oligo(ethylene glycol) methacrylate-random- 2-hydroxyethylmethacrylate) (abbreviated as carboxylated poly(OEGMA-r-HEMA)), has been introduced on the electrode surface. Since Clark electrode is widely used in biochemical oxygen demand (BOD) detection, we use this technique to measure BOD in the sample. The dynamic range of the system is from 0 ˜ 25 mg/L. Two samples have been measured. Compared with the conventional method, the deviation of both optical and electrical signals are less than 10%.

  9. Availability of surface boron species in improved oxygen reduction activity of Pt catalysts: A first-principles study

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Libo; Zhou, Gang, E-mail: gzhou@mail.buct.edu.cn [State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029 (China)

    2016-04-14

    The oxidation process of boron (B) species on the Pt(111) surface and the beneficial effects of boron oxides on the oxygen reduction activity are investigated by first-principles calculations. The single-atom B anchored on the Pt surface has a great attraction for the oxygen species in the immediate environment. With the dissociation of molecular oxygen, a series of boron oxides is formed in succession, both indicating exothermic oxidation reactions. After BO{sub 2} is formed, the subsequent O atom immediately participates in the oxygen reduction reaction. The calculated O adsorption energy is appreciably decreased as compared to Pt catalysts, and more approximate to the optimal value of the volcano plot, from which is clear that O hydrogenation kinetics is improved. The modulation mechanism is mainly based on the electron-deficient nature of stable boron oxides, which normally reduces available electronic states of surface Pt atoms that bind the O by facilitating more electron transfer. This modification strategy from the exterior opens the new way, different from the alloying, to efficient electrocatalyst design for PEMFCs.

  10. Ni- and Mn-Promoted Mesoporous Co3O4: A Stable Bifunctional Catalyst with Surface-Structure-Dependent Activity for Oxygen Reduction Reaction and Oxygen Evolution Reaction.

    Science.gov (United States)

    Song, Wenqiao; Ren, Zheng; Chen, Sheng-Yu; Meng, Yongtao; Biswas, Sourav; Nandi, Partha; Elsen, Heather A; Gao, Pu-Xian; Suib, Steven L

    2016-08-17

    Efficient bifunctional catalysts for electrochemical oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) are highly desirable due to their wide applications in fuel cells and rechargeable metal air batteries. However, the development of nonprecious metal catalysts with comparable activities to noble metals is still challenging. Here we report a one-step wet-chemical synthesis of Ni-/Mn-promoted mesoporous cobalt oxides through an inverse micelle process. Various characterization techniques including powder X-ray diffraction (PXRD), N2 sorption, transmission electron microscopy (TEM), and scanning electron microscopy (SEM) confirm the successful incorporation of Ni and Mn leading to the formation of Co-Ni(Mn)-O solid solutions with retained mesoporosity. Among these catalysts, cobalt oxide with 5% Ni doping demonstrates promising activities for both ORR and OER, with an overpotential of 399 mV for ORR (at -3 mA/cm(2)) and 381 mV (at 10 mA/cm(2)) for OER. Furthermore, it shows better durability than precious metals featuring little activity decay throughout 24 h continuous operation. Analyses of cyclic voltammetry (CV), X-ray photoelectron spectroscopy (XPS), Raman, and O2-temperature-programmed desorption (O2-TPD) reveal that redox activity of Co(3+) to Co(4+) is crucial for OER performance, while the population of surface oxygen vacancies and surface area determine ORR activities. The comprehensive investigation of the intrinsic active sites for ORR and OER by correlating different physicochemical properties to the electrochemical activities is believed to provide important insight toward the rational design of high-performance electrocatalysts for ORR and OER reactions.

  11. Isotopic determinations of carbon and oxygen in the metasedimentary rocks of the Rio Pardo group-Bahia State, Brazil

    International Nuclear Information System (INIS)

    Costa Pinto, N.M.A.C.

    1977-01-01

    Determination of the carbon and oxygen isotopic compositions were made on approximately 100 samples of Late Precambrian metasedimentary rocks of the Rio Pardo Group from Southern Bahia. The results obtained show that carbon varies from δ 13 =C=5,73 per mille to δ 13 C=+9,00 per mille, and oxygen from δ 18 O=-1,87 per mille to δ 18 O=-19,67 per mille relative to PBD. The interpretations lead to some conclusions which confirm the validity the isotopic technique as auxiliary instrument in the study of geological problems. These include: 1) the evidence of a marine transgression during the Camaca sedimentation; 2) the probability that the dolomitic metalimestones of the Agua Preta formation belong to the Serra do Paraiso formation; 3) the assignment of the dolomitic metalismestones, which occur in Itiroro and which had been previously grouped with the crystalline basement rocks, to the Serra do Paraiso formation; 4) the removal of the marble from Serra do Paraiso formation and re-signment to the basement rocks, and finally; 5) the sedimentary evolution of the Rio Pardo Group from a typical fresh-water to a marine environment. (Author) [pt

  12. The Effect of Postoperative Skin-Surface Warming on Oxygen Consumption and the Shivering Threshold

    Science.gov (United States)

    Alfonsi, P.; Nourredine, K.; Adam, F.; Chauvin, M.; Sessler, D. I.

    2005-01-01

    Summary Cutaneous warming is reportedly an effective treatment for shivering during epidural and after general anaesthesia. We quantified the efficacy of cutaneous warming as a treatment for shivering. Unwarmed surgical patients (final intraoperative core temperatures ≈35°C) were randomly assigned to be covered with a blanket (n=9) or full-body forced-air cover (n=9). Shivering was evaluated clinically and by oxygen consumption. Forced-air heating increased mean-skin temperature (35.7±0.4 °C vs. 33.2±0.8°C, Pshivering threshold (35.7±0.2 °C vs. 36.4±0.2°C, Pshivering was similar in the two groups (37±11 min [warming] and 36±10 min [control]). Core temperature thus contributed about four times as much as skin temperature to control of shivering. Cutaneous warming improved thermal comfort and reduced metabolic stress in postoperative patients, but did not quickly obliterate shivering. PMID:14705689

  13. Patient Perceptions of the Adequacy of Supplemental Oxygen Therapy. Results of the American Thoracic Society Nursing Assembly Oxygen Working Group Survey.

    Science.gov (United States)

    Jacobs, Susan S; Lindell, Kathleen O; Collins, Eileen G; Garvey, Chris M; Hernandez, Carme; McLaughlin, Sally; Schneidman, Ann M; Meek, Paula M

    2018-01-01

    Pulmonary clinicians and patients anecdotally report barriers to home supplemental oxygen services including inadequate supply, unacceptable portable options, and equipment malfunction. Limited evidence exists to describe or quantify these problems. To describe the frequency and type of problems experienced by supplemental oxygen users in the United States. The Patient Supplemental Oxygen Survey, a self-report questionnaire, was posted on the American Thoracic Society Public Advisory Roundtable and patient and health care-affiliated websites. Respondents were invited to complete the questionnaire, using targeted e-mail notifications. Data were analyzed using descriptive statistics, paired t tests, and χ 2 analysis. In total, 1,926 responses were analyzed. Most respondents reported using oxygen 24 h/d, for 1-5 years, and 31% used high flow with exertion. Oxygen use varied, with only 29% adjusting flow rates based on oximeter readings. The majority (65%) reported not having their oxygen saturation checked when equipment was delivered. Sources of instruction included the delivery person (64%), clinician (8%), and no instruction (10%). Approximately one-third reported feeling "very" or "somewhat" unprepared to operate their equipment. Fifty-one percent of the patients reported oxygen problems, with the most frequent being equipment malfunction, lack of physically manageable portable systems, and lack of portable systems with high flow rates. Most respondents identified multiple problems (average, 3.6 ± 2.3; range, 1-12) in addition to limitations in activities outside the home because of inadequate portable oxygen systems (44%). Patients living in Competitive Bidding Program areas reported oxygen problems more often than those who did not (55% [389] vs. 45% [318]; P = 0.025). Differences in sample characteristics and oxygen problems were noted across diagnostic categories, with younger, dyspneic, high-flow users, and respondents who did not receive oxygen

  14. Investigation of the oxygen exchange mechanism on Pt|yttria stabilized zirconia at intermediate temperatures: Surface path versus bulk path

    International Nuclear Information System (INIS)

    Opitz, Alexander K.; Lutz, Alexander; Kubicek, Markus; Kubel, Frank; Hutter, Herbert; Fleig, Juergen

    2011-01-01

    Highlights: → Oxygen exchange kinetics of Pt on YSZ investigated by means of Pt model electrodes. → Two different geometry dependencies of the polarization resistance identified. → At higher temperatures the oxygen exchange reaction proceeds via a Pt surface path. → At lower temperatures a bulk path through the Pt thin film electrode is discussed. - Abstract: The oxygen exchange kinetics of platinum on yttria-stabilized zirconia (YSZ) was investigated by means of geometrically well-defined Pt microelectrodes. By variation of electrode size and temperature it was possible to separate two temperature regimes with different geometry dependencies of the polarization resistance. At higher temperatures (550-700 deg. C) an elementary step located close to the three phase boundary (TPB) with an activation energy of ∼1.6 eV was identified as rate limiting. At lower temperatures (300-400 deg. C) the rate limiting elementary step is related to the electrode area and exhibited a very low activation energy in the order of 0.2 eV. From these observations two parallel pathways for electrochemical oxygen exchange are concluded. The nature of these two elementary steps is discussed in terms of equivalent circuits. Two combinations of parallel rate limiting reaction steps are found to explain the observed geometry dependencies: (i) Diffusion through an impurity phase at the TPB in parallel to diffusion of oxygen through platinum - most likely along Pt grain boundaries - as area-related process. (ii) Co-limitation of oxygen diffusion along the Pt|YSZ interface and charge transfer at the interface with a short decay length of the corresponding transmission line (as TPB-related process) in parallel to oxygen diffusion through platinum.

  15. Unraveling the photocatalytic mechanisms on TiO2 surfaces using the oxygen-18 isotopic label technique.

    Science.gov (United States)

    Pang, Xibin; Chen, Chuncheng; Ji, Hongwei; Che, Yanke; Ma, Wanhong; Zhao, Jincai

    2014-10-10

    During the last several decades TiO2 photocatalytic oxidation using the molecular oxygen in air has emerged as a promising method for the degradation of recalcitrant organic pollutants and selective transformations of valuable organic chemicals. Despite extensive studies, the mechanisms of these photocatalytic reactions are still poorly understood due to their complexity. In this review, we will highlight how the oxygen-18 isotope labeling technique can be a powerful tool to elucidate complicated photocatalytic mechanisms taking place on the TiO2 surface. To this end, the application of the oxygen-18 isotopic-labeling method to three representative photocatalytic reactions is discussed: (1) the photocatalytic hydroxylation of aromatics; (2) oxidative cleavage of aryl rings on the TiO2 surface; and (3) photocatalytic decarboxylation of saturated carboxylic acids. The results show that the oxygen atoms of molecular oxygen can incorporate into the corresponding products in aqueous solution in all three of these reactions, but the detailed incorporation pathways are completely different in each case. For the hydroxylation process, the O atom in O2 is shown to be incorporated through activation of O2 by conduction band electrons. In the cleavage of aryl rings, O atoms are inserted into the aryl ring through the site-dependent coordination of reactants on the TiO2 surface. A new pathway for the decarboxylation of saturated carboxylic acids with pyruvic acid as an intermediate is identified, and the O2 is incorporated into the products through the further oxidation of pyruvic acid by active species from the activation of O2 by conduction band electrons.

  16. Advanced Oxygen Evolution Catalyst for Electrolyzer Energy Storage for Lunar Surface Systems, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Future NASA lunar missions will require a high efficiency, lightweight, long life, maintenance-free water electrolyzer for energy storage. Anodic oxygen evolution...

  17. Effects of surface adsorbed oxygen, applied voltage, and temperature on UV photoresponse of ZnO nanorods

    Science.gov (United States)

    Zong, Xian-Li; Zhu, Rong

    2015-10-01

    The ultraviolet (UV) photoresponses of ZnO nanorods directly grown on and between two micro Au-electrodes by using electric-field-assisted wet chemical method are measured comprehensively under different conditions, including ambient environment, applied bias voltage, gate voltage and temperature. Experimental results indicate that the photoresponses of the ZnO nanorods can be modulated by surface oxygen adsorptions, applied voltages, as well as temperatures. A model taking into account both surface adsorbed oxygen and electron-hole activities inside ZnO nanorods is proposed. The enhancement effect of the bias voltage on photoresponse is also analyzed. Experimental results shows that the UV response time (to 63%) of ZnO nanorods in air and at 59 °C could be shortened from 34.8 s to 0.24 s with a bias of 4 V applied between anode and cathode. Project supported by the National Natural Science Foundation of China (Grant No. 91123017).

  18. Grafting of phosphorylcholine functional groups on polycarbonate urethane surface for resisting platelet adhesion

    Energy Technology Data Exchange (ETDEWEB)

    Gao, Bin [School of Chemical Engineering and Technology, Tianjin University, Weijin Road 92, Tianjin 300072 (China); Feng, Yakai, E-mail: yakaifeng@hotmail.com [School of Chemical Engineering and Technology, Tianjin University, Weijin Road 92, Tianjin 300072 (China); Tianjin University-Helmholtz-Zentrum Geesthacht, Joint Laboratory for Biomaterials and Regenerative Medicine, Weijin Road 92, 300072 Tianjin (China); Key Laboratory of Systems Bioengineering, Ministry of Education, Tianjin University, Weijin Road 92, Tianjin 300072 (China); Lu, Jian; Zhang, Li; Zhao, Miao; Shi, Changcan; Khan, Musammir [School of Chemical Engineering and Technology, Tianjin University, Weijin Road 92, Tianjin 300072 (China); Guo, Jintang [School of Chemical Engineering and Technology, Tianjin University, Weijin Road 92, Tianjin 300072 (China); Tianjin University-Helmholtz-Zentrum Geesthacht, Joint Laboratory for Biomaterials and Regenerative Medicine, Weijin Road 92, 300072 Tianjin (China)

    2013-07-01

    In order to improve the resistance of platelet adhesion on material surface, 2-methacryloyloxyethyl phosphorylcholine (MPC) was grafted onto polycarbonate urethane (PCU) surface via Michael reaction to create biomimetic structure. After introducing primary amine groups via coupling tris(2-aminoethyl)amine (TAEA) onto the polymer surface, the double bond of MPC reacted with the amino group to obtain MPC modified PCU. The modified surface was characterized by Fourier transform infrared (FTIR) spectroscopy and X-ray photoelectron spectroscopy (XPS). The results verified that MPC was grafted onto PCU surface by Michael reaction method. The MPC grafted PCU surface had a low water contact angle and a high water uptake. This means that the hydrophilic PC functional groups improved the surface hydrophilicity significantly. In addition, surface morphology of MPC grafted PCU film was imaged by atomic force microscope (AFM). The results showed that the grafted surface was rougher than the blank PCU surface. In addition, platelet adhesion study was evaluated by scanning electron microscopy (SEM) observation. The PCU films after treated with platelet-rich plasma demonstrated that much fewer platelets adhered to the MPC-grafted PCU surface than to the blank PCU surface. The antithrombogenicity of the MPC-grafted PCU surface was determined by the activated partial thromboplastin time (APTT). The result suggested that the MPC modified PCU may have potential application as biomaterials in blood-contacting and some subcutaneously implanted devices. - Highlights: • MPC was successfully grafted onto polycarbonate urethane surface via Michael reaction. • High concentration of PC functional groups on the surface via TAEA molecule • Biomimetic surface modification • The modified surface showed high hydrophilicity and anti-platelet adhesion.

  19. Theoretical studies on chemisorption of oxygen on β-Mo2C catalyst and its surface oxidation

    DEFF Research Database (Denmark)

    Shi, Xue-Rong; Wang, Shengguang; Hu, Jia

    2012-01-01

    by O2 at PO2/P0 of 10−21–104 and temperature of 100–700K. For the (011) surface with O2 as the oxidant, the most stable structure is that with 1/2ML or 7/8ML oxygen coverage, depending on the temperature and PO2/P0 value. The increase of gaseous oxidant pressure or decrease of temperature can enhance...

  20. 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

  1. Improved Oxygen Evolution Kinetics and Surface States Passivation of Ni-Bi Co-Catalyst for a Hematite Photoanode

    Directory of Open Access Journals (Sweden)

    Ke Dang

    2017-06-01

    Full Text Available This paper describes the combinational surface kinetics enhancement and surface states passivation of nickel-borate (Ni-Bi co-catalyst for a hematite (Fe2O3 photoanode. The Ni-Bi-modified Fe2O3 photoanode exhibits a cathodic onset potential shift of 230 mV and a 2.3-fold enhancement of the photocurrent at 1.23 V, versus the reversible hydrogen electrode (RHE. The borate (Bi in the Ni-Bi film promotes the release of protons for the oxygen evolution reaction (OER.

  2. An investigation of the functional groups on the surface of activated carbons

    Directory of Open Access Journals (Sweden)

    MARYTE DERVINYTE

    2004-05-01

    Full Text Available Activated carbons were produced in the laboratory from wood using a 20-run Plackett–Burman experimental design for 19 factors. The obtained batches of activated carbon were analysed by potentiometric titration and FTIR spectroscopy to determine the surface functional groups. The results obtained by potentiometric titration displayed the distribution of individual acidity constants of those groups in the pK range. Considering this parameter, the surface functional groups were divided into carboxyl, lactone and phenol. The linear regression equations reflecting the influence of each operation used for the synthesis on the amount of these functional groups in the obtained activated carbons were generated. The FTIR spectra were used in parallel for the evaluation of the amount and the type of the surface functional groups. Relationships between the two data sets obtained by potentiometric titration and FTIR spectroscopy were evaluated by correlation analysis. It was established that the amount of surface functional groups determined by potentiometric titration positively correlates with the intensity of the peaks of hydrophilic functional groups in the FTIR spectra. At the same time, the negative correlation between potentiometrically determined amount of surface functional groups and the intensity of peaks of hydrophobic functional groups was observed. Most probably, these non-polar formations can take part in the interaction of carbon surface with H+/OH- ions and diminish the strength of existent functional groups.

  3. Fundamental Mechanistic Understanding of Electrocatalysis of Oxygen Reduction on Pt and Non-Pt Surfaces: Acid versus Alkaline Media

    Directory of Open Access Journals (Sweden)

    Nagappan Ramaswamy

    2012-01-01

    Full Text Available Complex electrochemical reactions such as Oxygen Reduction Reaction (ORR involving multi-electron transfer is an electrocatalytic inner-sphere electron transfer process that exhibit strong dependence on the nature of the electrode surface. This criterion (along with required stability in acidic electrolytes has largely limited ORR catalysts to the platinum-based surfaces. New evidence in alkaline media, discussed here, throws light on the involvement of surface-independent outer-sphere electron transfer component in the overall electrocatalytic process. This surface non-specificity gives rise to the possibility of using a wide-range of non-noble metal surfaces as electrode materials for ORR in alkaline media. However, this outer-sphere process predominantly leads only to peroxide intermediate as the final product. The importance of promoting the electrocatalytic inner-sphere electron transfer by facilitation of direct adsorption of molecular oxygen on the active site is emphasized by using pyrolyzed metal porphyrins as electrocatalysts. A comparison of ORR reaction mechanisms between acidic and alkaline conditions is elucidated here. The primary advantage of performing ORR in alkaline media is found to be the enhanced activation of the peroxide intermediate on the active site that enables the complete four-electron transfer. ORR reaction schemes involving both outer- and inner-sphere electron transfer mechanisms are proposed.

  4. Oxygen inhibition layer of composite resins: effects of layer thickness and surface layer treatment on the interlayer bond strength.

    Science.gov (United States)

    Bijelic-Donova, Jasmina; Garoushi, Sufyan; Lassila, Lippo V J; Vallittu, Pekka K

    2015-02-01

    An oxygen inhibition layer develops on surfaces exposed to air during polymerization of particulate filling composite. This study assessed the thickness of the oxygen inhibition layer of short-fiber-reinforced composite in comparison with conventional particulate filling composites. The effect of an oxygen inhibition layer on the shear bond strength of incrementally placed particulate filling composite layers was also evaluated. Four different restorative composites were selected: everX Posterior (a short-fiber-reinforced composite), Z250, SupremeXT, and Silorane. All composites were evaluated regarding the thickness of the oxygen inhibition layer and for shear bond strength. An equal amount of each composite was polymerized in air between two glass plates and the thickness of the oxygen inhibition layer was measured using a stereomicroscope. Cylindrical-shaped specimens were prepared for measurement of shear bond strength by placing incrementally two layers of the same composite material. Before applying the second composite layer, the first increment's bonding site was treated as follows: grinding with 1,000-grit silicon-carbide (SiC) abrasive paper, or treatment with ethanol or with water-spray. The inhibition depth was lowest (11.6 μm) for water-sprayed Silorane and greatest (22.9 μm) for the water-sprayed short-fiber-reinforced composite. The shear bond strength ranged from 5.8 MPa (ground Silorane) to 36.4 MPa (water-sprayed SupremeXT). The presence of an oxygen inhibition layer enhanced the interlayer shear bond strength of all investigated materials, but its absence resulted in cohesive and mixed failures only with the short-fiber-reinforced composite. Thus, more durable adhesion with short-fiber-reinforced composite is expected. © 2014 Eur J Oral Sci.

  5. Oxygen and carbon isotope composition of Gordon Group carbonates (Ordovician), Florentine Valley, Tasmania, Australia

    International Nuclear Information System (INIS)

    Rao, C.P.; Wang, B.

    1990-01-01

    The Gordon Group carbonates consist of biota of the Chlorozoan assemblage, diverse non-skeletal grains and abundant micrite and dolomite, similar to those of modern warm water carbonates. Cathodoluminescence studies indicate marine, meteoric and some burial cements. Dolomites replacing burrows, mudcracks and micrite formed during early diagenesis. δ 18 O values of the non-luminescent fauna and marine cement are lighter than those of modern counterparts but are similar to those existing within low latitudes during the Ordovician because of the light δ 18 O values of Ordovician seawater. The δ 18 O difference between marine and meteoric calcite indicate that during the Early Ordovician there were high atmospheric CO 2 levels than at present but during the Middle and Late Ordovician they became comparable with the present because of a change from 'Greenhouse' to glacial conditions. δ 18 O values of Late Ordovician seawater were heavier than in the Middle Ordovician mainly because of glaciation. It is thus concluded that dolomitization took place in marine to mixed-marine waters while the original calcium carbonate was undergoing marine to meteoric diagenesis. 41 refs., 1 tab., 9 figs

  6. Surface oxygen vacancies on WO{sub 3} contributed to enhanced photothermo-synergistic effect

    Energy Technology Data Exchange (ETDEWEB)

    Li, Yingying; Wang, Changhua; Zheng, Han; Wan, Fangxu; Yu, Fei; Zhang, Xintong, E-mail: xtzhang@nenu.edu.cn; Liu, Yichun

    2017-01-01

    Graphical abstract: WO{sub 3−x} acts as efficient and stable photothermocatalyst for detoxification of gaseous acetaldehyde. - Highlights: • WO{sub 3} was annealed under air and hydrogen atomsphere. • Phase transition from WO{sub 3} to WO{sub 2.72} to WO{sub 2} was observed after hydrogen treatment. • WO{sub 3−x} with optimized degree of oxygen deficiency displayed significant photothermocatalytic activity against degradation of acetaldehyde. • Mechanism operating in photocatalytic and thermal effects is discussed. - Abstract: Photothermooxidation has demonstrated a high efficiency in the removal of volatile organic compounds in air. Among photothermocatalysts, attention is presently focused on composites of noble metal/metal oxide or metal oxide/metal oxide. Instead, in this work, we present a case of single oxide WO{sub 3} subjected to hydrogen treatment as photothermocatalyst. With the increase of hydrogen treatment temperature, the color of WO{sub 3} changes from yellow to blue to dark blue and a phase transition from WO{sub 3} to WO{sub 2.72} to WO{sub 2} is accompanied, suggesting an increase of concentration of oxygen vacancy. Photothermocatalytic test against degradation of gaseous acetaldehyde at 60 °C under UV light shows that WO{sub 3−x} sample with low concentration of oxygen vacancy displays the most significant synergetic effect between photocatalysis and thermocatalysis. Its photothermocatalytic activity in terms of CO{sub 2} evolution rate is 5.2 times higher than that of photocatalytic activity. However, WO{sub 3}–WO{sub 2.72} and WO{sub 2} with high degree of oxygen deficiency show insignificant synergetic effect between photocatalysis and thermocatalysis. The reason for the different synergistic effect over above samples is believed to lie in balance between decreased activation energy of lattice oxygen and recombination of photogenerated electrons and holes induced by oxygen deficiency.

  7. Impact of Micro Silica Surface Hydroxyl Groups on the Properties of Calcium Silicate Products

    DEFF Research Database (Denmark)

    Haastrup, Sonja; Jørgensen, Bianca; Yu, Donghong

    2017-01-01

    to be the limiting step, and therefore large SiO2 surface area is desired. However, other SiO2 surface structure, such as surface impurities (metal ions) and hydroxyl groups might also influence the reaction. In this work, we investigate the influence of micro silica surface hydroxyl groups in the synthesis...... of calcium silicate. We increase the hydroxyl groups by dispersing the micro silica in 10wt% H2O2 (CS10%), and we remove the hydroxyl groups by drying the micro silica at 650°C and then disperse it in water (CS650). A reference sample is also prepared from as-received micro silica dispersed in water (CSref...... by the increase in tobermorite crystal structure. H2O2 increase the micro silica surface area, and the number of hydroxyl groups on the micro silica surface. By removing hydroxyl groups from the silica surface, we tremendously decrease the surface area and the reactivity of micro silica. The results show...

  8. Surface Pourbaix diagrams and oxygen reduction activity of Pt, Ag and Ni(111) surfaces studied by DFT

    DEFF Research Database (Denmark)

    Hansen, Heine Anton; Rossmeisl, Jan; Nørskov, Jens Kehlet

    2008-01-01

    The electrochemical most stable surface structures is investigated as function of pH and potential for Pt, Ag and Ni based on DFT calculations and constructed surface Pourbaix diagrams. It is also explained why metals such as Ag and Ni may be used successfully in alkaline fuel cells but not in ac......The electrochemical most stable surface structures is investigated as function of pH and potential for Pt, Ag and Ni based on DFT calculations and constructed surface Pourbaix diagrams. It is also explained why metals such as Ag and Ni may be used successfully in alkaline fuel cells...

  9. Crystal structure and surface characteristics of Sr-doped GdBaCo2O6−δ double perovskites: oxygen evolution reaction and conductivity

    KAUST Repository

    Pramana, Stevin S.

    2017-12-04

    A cheap and direct solution towards engineering better catalysts through identification of novel materials is required for a sustainable energy system. Perovskite oxides have emerged as potential candidates to replace the less economically attractive Pt and IrO2 water splitting catalysts. In this work, excellent electrical conductivity (980 S cm−1) was found for the double perovskite of composition GdBa0.6Sr0.4Co2O6−δ which is consistent with a better oxygen evolution reaction activity with the onset polarisation of 1.51 V with respect to a reversible hydrogen electrode (RHE). GdBa1−xSrxCo2O6−δ with increasing Sr content was found to crystallise in the higher symmetry tetragonal P4/mmm space group in comparison with the undoped GdBaCo2O6−δ which is orthorhombic (Pmmm), and yields higher oxygen uptake, accompanied by higher Co oxidation states. This outstanding electrochemical performance is explained by the wider carrier bandwidth, which is a function of Co–O–Co buckling angles and Co–O bond lengths. Furthermore the higher oxygen evolution activity was observed despite the formation of non-lattice oxides (mainly hydroxide species) and enrichment of alkaline earth ions on the surface.

  10. The multilevel analysis of surface acting and mental health: A moderation of positive group affective tone

    Science.gov (United States)

    Lee, Meng-Shiu; Huang, Jui-Chan; Wu, Tzu-Jung

    2017-06-01

    The purpose of this study is to investigate the relationship among surface acting, mental health, and positive group affective tone. According to the prior theory, this study attempts to establish a comprehensive research framework among these variables, and furthermore tests the moderating effect of positive group affective tone. Data were collected from 435 employees in 52 service industrial companies by questionnaire, and this study conducted multilevel analysis. The results showed that surface acting will negatively affect the mental health. In addition, the positive group affective tone have significant moderating effect on the relationship among surface acting and mental health. Finally, this study discusses managerial implications and highlights future research suggestions.

  11. Overview on the Surface Functionalization Mechanism and Determination of Surface Functional Groups of Plasma Treated Carbon Nanotubes.

    Science.gov (United States)

    Saka, Cafer

    2018-01-02

    The use of carbon materials for many applications is due to the unique diversity of structures and properties ranging from chemical bonds between the carbon atoms of the materials to nanostructures, crystallite alignment, and microstructures. Carbon nanotubes and other nanoscale carbonaceous materials draw much attention due to their physical and chemical properties, such as high strength, high resistance to corrosion, electrical and thermal conductivity, stability and a qualified adsorbent. Carbon-based nanomaterials, which have a relatively large specific area and layered structure, can be used as an adsorbent for efficient removal of organic and inorganic contaminants. However, one of the biggest obstacles to the development of carbon-based nanomaterials adsorbents is insolubility and the lack of functional groups on the surface. There are several approaches to introduce functional groups on carbon nanotubes. One of these approaches, plasma applications, now has an important place in the creation of surface functional groups as a flexible, fast, and environmentally friendly method. This review focuses on recent information concerning the surface functionalization and modification of plasma treated carbon nanotube. This review considers the surface properties, advantages, and disadvantages of plasma-applied carbon nanotubes. It also examines the reaction mechanisms involved in the functional groups on the surface.

  12. Oxygen tracer diffusion and surface exchange kinetics in Ba0.5Sr0.5Co0.8Fe0.2O3-δ

    NARCIS (Netherlands)

    Berenov, A.; Atkinson, A.; Kilner, J.; Ananyev, M.; Eremin, V.; Porotnikova, N.; Farlenkov, A.; Kurumchin, E.; Bouwmeester, Henricus J.M.; Bucher, E.; Sitte, W.

    2014-01-01

    The oxygen tracer diffusion coefficient, Db⁎, and the oxygen tracer surface exchange coefficient, k, were measured in Ba0.5Sr0.5Co0.8Fe0.2O3 − δ (BSCF5582) over the temperature range of 310–800 °C and the oxygen partial pressure range of 1.3 × 10−3–0.21 bar. Several measurement techniques were used:

  13. Determination of surface functional groups on mechanochemically activated carbon cloth by Boehm method

    Directory of Open Access Journals (Sweden)

    Đukić Anđelka B.

    2014-01-01

    Full Text Available In order to improve sorption properties of activated carbon cloth that can be used for wastewater purification, mechanochemical activation was performed in both inert and air atmosphere. Boehm method was used to follow the changes in the number and types of surface groups induced by mechanical milling. The number of the base groups of 0,2493 mmol/g is significantly smaller than the total amount of acidic functional groups, 2,5093 mmol/g. Among the acidic groups present on the surface, the most represented are phenolic groups (2.3846 mmol/g , ie . > 95 % , the carboxylic groups are present far less (0.1173 mmol /g, ie. 4.5 %, while the presence of the lactone group on the surface of ACC is negligible (0.0074 mmol/g ie. under 0.3 %. Mechanochemical activation lead to an increase in the number of acidic and basic groups on the surface of the ACC. The milling in inert atmosphere has dominant effect with respect to the changes in the total number of basic functional groups (compared to milling in an air atmosphere: the number of basic groups of the ACC was 0.8153 mmol/g milled under argon, 0.7933 mmol/g in the air; the number of acidic groups is 2.9807 mmol/g for a sample milled under argon and 3.5313 mmol/g for one milled in the air.

  14. The interaction of oxygen and carbon monoxide with a carbided Ni(111) surface

    NARCIS (Netherlands)

    Geus, John W.; Vink, T.J.; Zandvoort, M.M.J. van; Gijzeman, O.L.J.

    1984-01-01

    The thermal decomposition of ethylene on Ni(111) at 250°C is shown to lead to carbon deposition on and - in a later stage - below the surface. Independent of the amount of carbon below the surface, CO is adsorbed with an isosteric heat of adsorption of 105 kJ/mol. The surface carbon reacts with

  15. Adsorption of oxygen on a Cu{110} surface with and without the influence of A keV Ne+ beam Stage I: Coverages up to half a monolayer

    NARCIS (Netherlands)

    Fluit, J.M.; Hupkens, Th.M.

    1984-01-01

    Low Energy Ion Scattering has been used to study the interaction of molecular oxygen with a Cu{110} surface. The amount of adsorbed atomic oxygen was monitored by the 4 keV Ne+¦O reflection signal. In the first adsorption stage (coverage less than half a monolayer) the sticking probability varied

  16. Surface modification influencing adsorption of red wine constituents: The role of functional groups

    Energy Technology Data Exchange (ETDEWEB)

    Mierczynska-Vasilev, Agnieszka, E-mail: agnieszka.mierczynska-vasilev@awri.com.au; Smith, Paul A., E-mail: paul.smith@awri.com.au

    2016-11-15

    Highlights: • Chemical surface composition affects behaviour of wine adsorption. • SO{sub 3}H and COOH groups adsorb more of the wine nitrogen-containing compounds. • NH{sub 2} and NR{sub 3} groups encourage carbon-containing compounds adsorption. • Red wine constituents after filtration adsorbed more on NR{sub 3} and CHO surfaces. - Abstract: The adsorption of wine constituents at solid surfaces is important in applications such as filtration and membrane fouling, binding to tanks and fittings and interactions with processing aids such as bentonite. The interaction of wine constituents with surfaces is mediated through adsorbed wine components, where the type of constituents, amount, orientation, and conformation are of consequence for the surface response. This study examines the effect of surface chemical functionalities on the adsorption of red wine constituents. Plasma-polymerized films rich in amine, carboxyl, hydroxyl, formyl and methyl functional groups were generated on solid substrates whereas, glycidyltrimethylammonium chloride was covalently attached to allylamine plasma-polymer modified surface and poly(sodium styrenesulfonate) was electrostatically adsorbed to an amine plasma-polymerized surface. The surface chemical functionalities were characterized by X-ray photoelectron spectroscopy. The ability of different substrates to adsorb red wine constituents was evaluated by quartz crystal microbalance and atomic force microscopy. The results showed that substrates modified with −SO{sub 3}H and –COOH groups can adsorb more of the wine nitrogen-containing compounds whereas −NH{sub 2} and −NR{sub 3} groups encourage carbon-containing compounds adsorption. Red wine constituents after filtration were adsorbed in higher extend on −NR{sub 3} and –CHO surfaces. The –OH modified surfaces had the lowest ability to absorb wine components.

  17. Surface modification influencing adsorption of red wine constituents: The role of functional groups

    International Nuclear Information System (INIS)

    Mierczynska-Vasilev, Agnieszka; Smith, Paul A.

    2016-01-01

    Highlights: • Chemical surface composition affects behaviour of wine adsorption. • SO 3 H and COOH groups adsorb more of the wine nitrogen-containing compounds. • NH 2 and NR 3 groups encourage carbon-containing compounds adsorption. • Red wine constituents after filtration adsorbed more on NR 3 and CHO surfaces. - Abstract: The adsorption of wine constituents at solid surfaces is important in applications such as filtration and membrane fouling, binding to tanks and fittings and interactions with processing aids such as bentonite. The interaction of wine constituents with surfaces is mediated through adsorbed wine components, where the type of constituents, amount, orientation, and conformation are of consequence for the surface response. This study examines the effect of surface chemical functionalities on the adsorption of red wine constituents. Plasma-polymerized films rich in amine, carboxyl, hydroxyl, formyl and methyl functional groups were generated on solid substrates whereas, glycidyltrimethylammonium chloride was covalently attached to allylamine plasma-polymer modified surface and poly(sodium styrenesulfonate) was electrostatically adsorbed to an amine plasma-polymerized surface. The surface chemical functionalities were characterized by X-ray photoelectron spectroscopy. The ability of different substrates to adsorb red wine constituents was evaluated by quartz crystal microbalance and atomic force microscopy. The results showed that substrates modified with −SO 3 H and –COOH groups can adsorb more of the wine nitrogen-containing compounds whereas −NH 2 and −NR 3 groups encourage carbon-containing compounds adsorption. Red wine constituents after filtration were adsorbed in higher extend on −NR 3 and –CHO surfaces. The –OH modified surfaces had the lowest ability to absorb wine components.

  18. Oxygen accumulation on metal surfaces investigated by XPS, AES and LEIS, an issue for sputter depth profiling under UHV conditions

    Energy Technology Data Exchange (ETDEWEB)

    Steinberger, R., E-mail: roland.steinberger@jku.at [Center for Surface and Nanoanalytics, Johannes Kepler University Linz, Altenberger Straße 69, 4040 Linz (Austria); Celedón, C.E., E-mail: carlos.celedon@usm.cl [Institut für Experimentalphysik, Abteilung für Atom- und Oberflächenphysik, Johannes Kepler University Linz, Altenberger Straße 69, 4040 Linz (Austria); Departamento de Física, Universidad Técnica Federico Santa María, Valaparaíso, Casilla 110-V (Chile); Bruckner, B., E-mail: barbara.bruckner@jku.at [Institut für Experimentalphysik, Abteilung für Atom- und Oberflächenphysik, Johannes Kepler University Linz, Altenberger Straße 69, 4040 Linz (Austria); Roth, D., E-mail: dietmar.roth@jku.at [Institut für Experimentalphysik, Abteilung für Atom- und Oberflächenphysik, Johannes Kepler University Linz, Altenberger Straße 69, 4040 Linz (Austria); Duchoslav, J., E-mail: jiri.duchoslav@jku.at [Center for Surface and Nanoanalytics, Johannes Kepler University Linz, Altenberger Straße 69, 4040 Linz (Austria); Arndt, M., E-mail: martin.arndt@voestalpine.com [voestalpine Stahl GmbH, voestalpine-Straße 3, 4031 Linz (Austria); Kürnsteiner, P., E-mail: p.kuernsteiner@mpie.de [Center for Surface and Nanoanalytics, Johannes Kepler University Linz, Altenberger Straße 69, 4040 Linz (Austria); and others

    2017-07-31

    Highlights: • Investigation on the impact of residual gas prevailing in UHV chambers. • For some metals detrimental oxygen uptake could be observed within shortest time. • Totally different behavior was found: no changes, solely adsorption and oxidation. • The UHV residual gas may severely corrupt results obtained from depth profiling. • A well-considered data acquisition sequence is the key for reliable depth profiles. - Abstract: Depth profiling using surface sensitive analysis methods in combination with sputter ion etching is a common procedure for thorough material investigations, where clean surfaces free of any contamination are essential. Hence, surface analytic studies are mostly performed under ultra-high vacuum (UHV) conditions, but the cleanness of such UHV environments is usually overrated. Consequently, the current study highlights the in principle known impact of the residual gas on metal surfaces (Fe, Mg, Al, Cr and Zn) for various surface analytics methods, like X-ray photoelectron spectroscopy (XPS), Auger electron spectroscopy (AES) and low-energy ion scattering (LEIS). The investigations with modern, state-of-the-art equipment showed different behaviors for the metal surfaces in UHV during acquisition: (i) no impact for Zn, even after long time, (ii) solely adsorption of oxygen for Fe, slight and slow changes for Cr and (iii) adsorption accompanied by oxide formation for Al and Mg. The efficiency of different counter measures was tested and the acquired knowledge was finally used for ZnMgAl coated steel to obtain accurate depth profiles, which exhibited before serious artifacts when data acquisition was performed in an inconsiderate way.

  19. Constant Gaussian curvature surfaces in the 3-sphere via loop groups

    DEFF Research Database (Denmark)

    Brander, David; Inoguchi, Jun-Ichi; Kobayashi, Shimpei

    2014-01-01

    In this paper we study constant positive Gauss curvature K surfaces in the 3-sphere S3 with 0KK... by the second fundamental form if and only if K is constant. We give a uniform loop group formulation for all such surfaces with K≠0, and use the generalized d’Alembert method to construct examples. This representation gives a natural correspondence between such surfaces with KK

  20. Measuring oxygen surface exchange kinetics on mixed-conducting composites by electrical conductivity relaxation

    NARCIS (Netherlands)

    Hu, Bobing; Wang, Yunlong; Zhu, Zhuoying; Xia, Changrong; Bouwmeester, Henricus J.M.

    2015-01-01

    The oxygen release kinetics of mixed-conducting Sr2Fe1.5Mo0.5O6 d–Sm0.2Ce0.8O2 d (SFM–SDC) dualphase composites has been investigated, at 750 C, as a function of the SDC phase volume fraction using electrical conductivity relaxation (ECR) under reducing atmospheres, extending our previous work on

  1. Reduction of the Electrode Overpotential of the Oxygen Evolution Reaction by Electrode Surface Modification

    OpenAIRE

    Lu, Cian-Tong; Chiu, Yen-Wen; Li, Mei-Jing; Hsueh, Kan-Lin; Hung, Ju-Shei

    2017-01-01

    Metal–air batteries exhibit high potential for grid-scale energy storage because of their high theoretical energy density, their abundance in the earth’s crust, and their low cost. In these batteries, the oxygen evolution reaction (OER) occurs on the air electrode during charging. This study proposes a method for improving the OER electrode performance. The method involves sequentially depositing a Ni underlayer, Sn whiskers, and a Ni protection layer on the metal mesh. Small and uniform gas ...

  2. Surface modification influencing adsorption of red wine constituents: The role of functional groups

    Science.gov (United States)

    Mierczynska-Vasilev, Agnieszka; Smith, Paul A.

    2016-11-01

    The adsorption of wine constituents at solid surfaces is important in applications such as filtration and membrane fouling, binding to tanks and fittings and interactions with processing aids such as bentonite. The interaction of wine constituents with surfaces is mediated through adsorbed wine components, where the type of constituents, amount, orientation, and conformation are of consequence for the surface response. This study examines the effect of surface chemical functionalities on the adsorption of red wine constituents. Plasma-polymerized films rich in amine, carboxyl, hydroxyl, formyl and methyl functional groups were generated on solid substrates whereas, glycidyltrimethylammonium chloride was covalently attached to allylamine plasma-polymer modified surface and poly(sodium styrenesulfonate) was electrostatically adsorbed to an amine plasma-polymerized surface. The surface chemical functionalities were characterized by X-ray photoelectron spectroscopy. The ability of different substrates to adsorb red wine constituents was evaluated by quartz crystal microbalance and atomic force microscopy. The results showed that substrates modified with -SO3H and -COOH groups can adsorb more of the wine nitrogen-containing compounds whereas -NH2 and -NR3 groups encourage carbon-containing compounds adsorption. Red wine constituents after filtration were adsorbed in higher extend on -NR3 and -CHO surfaces. The -OH modified surfaces had the lowest ability to absorb wine components.

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

    Science.gov (United States)

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

    2018-02-19

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

  4. Oxygen accumulation on metal surfaces investigated by XPS, AES and LEIS, an issue for sputter depth profiling under UHV conditions

    Science.gov (United States)

    Steinberger, R.; Celedón, C. E.; Bruckner, B.; Roth, D.; Duchoslav, J.; Arndt, M.; Kürnsteiner, P.; Steck, T.; Faderl, J.; Riener, C. K.; Angeli, G.; Bauer, P.; Stifter, D.

    2017-07-01

    Depth profiling using surface sensitive analysis methods in combination with sputter ion etching is a common procedure for thorough material investigations, where clean surfaces free of any contamination are essential. Hence, surface analytic studies are mostly performed under ultra-high vacuum (UHV) conditions, but the cleanness of such UHV environments is usually overrated. Consequently, the current study highlights the in principle known impact of the residual gas on metal surfaces (Fe, Mg, Al, Cr and Zn) for various surface analytics methods, like X-ray photoelectron spectroscopy (XPS), Auger electron spectroscopy (AES) and low-energy ion scattering (LEIS). The investigations with modern, state-of-the-art equipment showed different behaviors for the metal surfaces in UHV during acquisition: (i) no impact for Zn, even after long time, (ii) solely adsorption of oxygen for Fe, slight and slow changes for Cr and (iii) adsorption accompanied by oxide formation for Al and Mg. The efficiency of different counter measures was tested and the acquired knowledge was finally used for ZnMgAl coated steel to obtain accurate depth profiles, which exhibited before serious artifacts when data acquisition was performed in an inconsiderate way.

  5. Surface grafting of carboxylic groups onto thermoplastic polyurethanes to reduce cell adhesion

    Energy Technology Data Exchange (ETDEWEB)

    Alves, P., E-mail: palves@eq.uc.pt [CIEPQPF, Departamento de Engenharia Química, Universidade de Coimbra, Polo II, Pinhal de Marrocos, 3030-790 Coimbra (Portugal); Ferreira, P. [CIEPQPF, Departamento de Engenharia Química, Universidade de Coimbra, Polo II, Pinhal de Marrocos, 3030-790 Coimbra (Portugal); Kaiser, Jean-Pierre [EMPA, St. Gallen, Lerchenfeldstrasse 5, CH-9014 St. Gallen (Switzerland); Salk, Natalie [Mikrofertigung – Micro Engineering, Fraunhofer IFAM, Wiener Strasse 12, D-288359 Bremen (Germany); Bruinink, Arie [EMPA, St. Gallen, Lerchenfeldstrasse 5, CH-9014 St. Gallen (Switzerland); Sousa, Hermínio C. de; Gil, M.H. [CIEPQPF, Departamento de Engenharia Química, Universidade de Coimbra, Polo II, Pinhal de Marrocos, 3030-790 Coimbra (Portugal)

    2013-10-15

    The interaction of polymers with other materials is an important issue, being their surface properties clearly crucial. For some important polymer applications, their surfaces have to be modified. Surface modification aims to tailor the surface characteristics of a material for a specific application without affecting its bulk properties. Materials can be surface modified by using biological, chemical or physical methods. The aim of this work was to improve the reactivity of the thermoplastic polyurethane (TPU) material (Elastollan{sup ®}) surface and to make its surface cell repellent by grafting carboxylic groups onto its surface. Two TPU materials were studied: a polyether-based TPU and a polyester-based TPU. The grafting efficiency was evaluated by contact angle measurements and by analytical determination of the COOH groups. Scanning electron microscopy (SEM) of the membranes surface was performed as well as cell adhesion tests. It was proved that the surfaces of the TPUs membranes were successfully modified and that cell adhesion was remarkably reduced.

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

    International Nuclear Information System (INIS)

    Amsel, G.; David, D.

    1975-01-01

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

  7. The Picard group of the moduli space of r-Spin Riemann surfaces

    DEFF Research Database (Denmark)

    Randal-Williams, Oscar

    2012-01-01

    An r-Spin Riemann surface is a Riemann surface equipped with a choice of rth root of the (co)tangent bundle. We give a careful construction of the moduli space (orbifold) of r-Spin Riemann surfaces, and explain how to establish a Madsen–Weiss theorem for it. This allows us to prove the “Mumford...... conjecture” for these moduli spaces, but more interestingly allows us to compute their algebraic Picard groups (for g≥10, or g≥9 in the 2-Spin case). We give a complete description of these Picard groups, in terms of explicitly constructed line bundles....

  8. Arsonic acid as a robust anchor group for the surface modification of Fe3O4.

    Science.gov (United States)

    Ahn, Jihoon; Moon, Doo-Sik; Lee, Jin-Kyu

    2013-12-03

    In order to use iron oxide nanoparticles (Fe3O4) in various applications, a surface modification that provides colloidal stability and additional functionality to the nanoparticles is necessary. For the modification of the nanoparticle surface with ligand molecules, the ligand molecule should contain an anchor group that has a strong affinity for the surface. However, currently used anchor groups have shown some problems such as low affinity and stability as well as reactivity with the surface. In this study, arsonic acid (RAsO(OH)2) was investigated as a novel anchor group. It was possible to introduce azide groups on the surface of iron oxide nanoparticles using 4-azidophenylarsonic acid, and the desired functional molecules could be chemically attached to the surface via copper-catalyzed azide-alkyne cycloaddition (click chemistry). By quantifying and comparing the amount of attached anchors on the surface, it was found that arsonic acid displays better affinity than other currently used anchors (catechol, carboxylic acid). Furthermore, we examined the binding reversibility, long-term anchoring stability, and anchoring stability at various pH values. It was revealed that arsonic acid is a stable anchor in various conditions.

  9. Effect of oxygen inhibition in two-step self-etch systems on surface free energy and dentin bond strength with a chemically cured resin composite.

    Science.gov (United States)

    Yamaji, Ayumi; Tsujimoto, Akimasa; Asaoka, Tetsui; Matsuyoshi, Saki; Tsuchiya, Kenji; Takamizawa, Toshiki; Miyazaki, Masashi

    2014-09-01

    We compared the surface free energies and dentin bond strengths of two-step self-etch systems with and without an oxygen-inhibited layer. The adhesives were applied to self-etching primer-treated dentin surfaces of bovine incisors, after which the teeth were light-irradiated and the oxygen-inhibited layer was left intact or removed with ethanol. We determined surface free energies (γS) and their components by measuring the contact angles of three test liquids placed on the cured adhesives. We also measured the dentin bond strengths of chemically cured resin composite to the adhesives, with and without the oxygen-inhibited layer. For all surfaces, the estimated surface tension component, γS(LW), was relatively constant. The Lewis base (γS(-)) component decreased significantly when the oxygen-inhibited layer was removed, whereas the Lewis acid (γS(+)) component slightly increased. The dentin bond strengths of the two-step self-etch systems did not significantly differ in relation to the presence of the oxygen-inhibited layer. Although the surface free energy of the adhesive was affected by the presence of the oxygen-inhibited layer, no changes in dentin bond strength were detected.

  10. The Importance of Surface IrOx in Stabilizing RuO2 for Oxygen Evolution

    DEFF Research Database (Denmark)

    Escribano, Maria Escudero; Pedersen, Anders Filsøe; Paoli, Elisa Antares

    2017-01-01

    corrosion on IrOx/RuO2 thin films by combining electrochemical quartz crystal microbalance (EQCM) with inductively coupled mass spectrometry (ICP-MS). We elucidate the importance of sub-monolayer surface IrOx in minimizing Ru dissolution. Our work shows that we can tune the surface properties of active OER...

  11. Surface modification of electrospun fibre meshes by oxygen plasma for bone regeneration

    NARCIS (Netherlands)

    Nandakumar, A.; Tahmasebi Birgani, Zeinab; Reis Santos, Diogo; Mentink-Leusink, Anouk; Auffermann, N.; van der Werf, Kees; Bennink, Martin L.; Moroni, Lorenzo; van Blitterswijk, Clemens; Habibovic, Pamela

    2013-01-01

    Plasma treatment is a method to modify the physicochemical properties of biomaterials, which consequently may affect interactions with cells. Based on the rationale that physical cues on the surface of culture substrates and implants, such as surface roughness, have proven to alter cell behaviour,

  12. Surface-binding through polyfunction groups of Rhodamine B on composite surface and its high performance photodegradation

    Science.gov (United States)

    Wan, Yiqun; Wang, Xiaofen; Gu, Yun; Guo, Lan; Xu, Zhaodi

    2016-03-01

    A kind of novel composite ZnS/In(OH)3/In2S3 is synthesized using zinc oxide nanoplates as zinc raw material during hydrothermal process. Although the obtained samples are composited of ZnS and In(OH)3 and In2S3 phase, the samples possess different structure, morphology and optical absorption property depending on molar ratio of raw materials. Zeta potential analysis indicates different surface electrical property since various content and particle size of the phases. The equilibrium adsorption study confirms the composite ZnS/In(OH)3/In2S3 with surface negative charge is good adsorbent for Rhodamine B (Rh B) dye. In addition, the degradation of Rh B over the samples with surface negative charge under visible light (λ ≥ 420 nm) is more effective than the samples with surface positive charge. The samples before and after adsorbing Rh B molecule are examined by FTIR spectra and Zetasizer. It is found that the three function groups of Rh B molecule, especially carboxyl group anchors to surface of the sample through electrostatic adsorption, coordination and hydrogen-bond. It contributes to rapid transformation of photogenerated electron to conduction band of In(OH)3 and suppresses the recombination of photogenerated carrier. The possible adsorption modes of Rh B are discussed on the basis of the experiment results.

  13. Influence of dissolved oxygen, dissolved hydrogen and surface film on the corrosion products release from stainless steel in high purity water at room temperature

    International Nuclear Information System (INIS)

    Iwahori, Toru; Kato, Shunji; Wada, Kunihisa; Kanbe, Hiromi; Mizuno, Takayuki

    1983-01-01

    The influence of dissolved oxygen, dissolved hydrogen and surface film on corrosion products release from SUS 304 stainless steel was studied in high purity water at room temperature. The determination of corrosion products released was performed by using millipore filter (0.45μm), cation-exchange resins and anion-exchange resins. The selective release of Fe component from stainless steel occurred in deoxygenated water containing saturated hydrogen or below 120 ppb oxygen, while the selective release of Co and Ni occurred in oxygenated water containing above 8 ppm oxygen. In the case of preautoclaved stainless steel coated with R 3 O 4 (spinel type oxides) film, the selective release of Co and Ni occurred in any high purity water, regardless of dissolved oxygen or dissolved hydrogen. Similar selective dissolution of Co from cobalt ferrite occurred in any high purity water, regardless of dissolved oxygen or dissolved hydrogen. Relation between corrosion potential and release was discussed. (author)

  14. Ag/Bi2MoO6-x with enhanced visible-light-responsive photocatalytic activities via the synergistic effect of surface oxygen vacancies and surface plasmon

    Science.gov (United States)

    Wang, Danjun; Shen, Huidong; Guo, Li; Wang, Chan; Fu, Feng; Liang, Yucang

    2018-04-01

    In this study, a heterostructured Ag/Bi2MoO6-x photocatalyst was rationally designed and successfully fabricated via the deposition of plasmonic silver nanoparticles onto the surface of Bi2MoO6 with surface oxygen vacancy (denoted as Bi2MoO6-x). Bi2MoO6-x (Abbr. BMO6-x was first synthesized via a solvothermal synthesis and calcination process. The plasmonic silver nanoparticles were then loaded onto the surface of BMO6-x using a simple photoreduction process to form Ag/BMO6-x composite. Surface oxygen vacancies (SOVs) in BMO6-x were confirmed by electron paramagnetic resonance (EPR) spectrum. The structures of BMO6-xand Ag/BiMoO6-x) were characterized using high-resolution transmission electron microscopy, powder X-ray diffraction, and X-ray photoelectron spectroscopy. Under visible light irradiation, sample Ag/BMO6-x exhibits a highest visible-light-responsive photocatalytic performance compared to those of pure-Bi2MoO6 (BMO), BMO6-x and Ag/BMO for the degradation of rhodamine B (RhB), which is attributed predominantly to the synergistic effect of SOVs and Ag surface plasmonic resonance (SPR) on the surface of Bi2MoO6-x leading to the efficient separation and migration of photogenerated electrons/holes and hence broadening light responsive region. The significant improvement of the migration and separation of photogenerated electrons/holes in the Ag/BMO6-x was evidenced by photoluminescence spectra, time-resolved fluorescence decay, photocurrent, and electrochemical impedance spectrum. The ESR with spin-trap technique and reactive species trapping experiments confirm that the mainly active species O2- and h+ are playing key roles in the RhB photodegradation process over Ag/BMO6-x. This study not only provides an understandable synergistic effect of SOVs and SPR Ag but also pioneers a new approach for fabricating a series of highly catalytically active metal-semiconductor photocatalysts with surface atom defects.

  15. Novel structures of oxygen adsorbed on a Zr(0001) surface predicted from first principles

    Energy Technology Data Exchange (ETDEWEB)

    Gao, Bo [State Key Laboratory of Superhard Materials, Jilin University, Changchun, 130012 (China); Beijing computational science research center, Beijing,100084 (China); Wang, Jianyun [State Key Laboratory of Superhard Materials, Jilin University, Changchun, 130012 (China); Lv, Jian [State Key Laboratory of Superhard Materials, Jilin University, Changchun, 130012 (China); College of Materials Science and Engineering, Jilin University, Changchun, 130012 (China); Gao, Xingyu [Laboratory of Computational Physics, Institute of Applied Physics and Computational Mathematics, Beijing, 100088 (China); CAEP Software Center for High Performance Numerical Simulation, Beijing, 100088 (China); Zhao, Yafan [CAEP Software Center for High Performance Numerical Simulation, Beijing, 100088 (China); Wang, Yanchao, E-mail: wyc@calypso.cn [State Key Laboratory of Superhard Materials, Jilin University, Changchun, 130012 (China); Beijing computational science research center, Beijing,100084 (China); College of Materials Science and Engineering, Jilin University, Changchun, 130012 (China); Song, Haifeng, E-mail: song_haifeng@iapcm.ac.cn [Laboratory of Computational Physics, Institute of Applied Physics and Computational Mathematics, Beijing, 100088 (China); CAEP Software Center for High Performance Numerical Simulation, Beijing, 100088 (China); Ma, Yanming [State Key Laboratory of Superhard Materials, Jilin University, Changchun, 130012 (China); Beijing computational science research center, Beijing,100084 (China)

    2017-01-30

    Highlights: • Two stable structures of O adsorbed on a Zr(0001) surface are predicted with SLAM. • A stable structure of O adsorbed on a Zr(0001) surface is proposed with MLAM. • The calculated work function change is agreement with experimental value. - Abstract: The structures of O atoms adsorbed on a metal surface influence the metal properties significantly. Thus, studying O chemisorption on a Zr surface is of great interest. We investigated O adsorption on a Zr(0001) surface using our newly developed structure-searching method combined with first-principles calculations. A novel structural prototype with a unique combination of surface face-centered cubic (SFCC) and surface hexagonal close-packed (SHCP) O adsorption sites was predicted using a single-layer adsorption model (SLAM) for a 0.5 and 1.0 monolayer (ML) O coverage. First-principles calculations based on the SLAM revealed that the new predicted structures are energetically favorable compared with the well-known SFCC structures for a low O coverage (0.5 and 1.0 ML). Furthermore, on basis of our predicted SFCC + SHCP structures, a new structure within multi-layer adsorption model (MLAM) was proposed to be more stable at the O coverage of 1.0 ML, in which adsorbed O atoms occupy the SFCC + SHCP sites and the substitutional octahedral sites. The calculated work functions indicate that the SFCC + SHCP configuration has the lowest work function of all known structures at an O coverage of 0.5 ML within the SLAM, which agrees with the experimental trend of work function with variation in O coverage.

  16. Reduction of the Electrode Overpotential of the Oxygen Evolution Reaction by Electrode Surface Modification

    Directory of Open Access Journals (Sweden)

    Cian-Tong Lu

    2017-01-01

    Full Text Available Metal–air batteries exhibit high potential for grid-scale energy storage because of their high theoretical energy density, their abundance in the earth’s crust, and their low cost. In these batteries, the oxygen evolution reaction (OER occurs on the air electrode during charging. This study proposes a method for improving the OER electrode performance. The method involves sequentially depositing a Ni underlayer, Sn whiskers, and a Ni protection layer on the metal mesh. Small and uniform gas bubbles form on the Ni/Sn/Ni mesh, leading to low overpotential and a decrease in the overall resistance of the OER electrode. The results of a simulated life cycle test indicate that the Ni/Sn/Ni mesh has a life cycle longer than 1,300 cycles when it is used as the OER electrode in 6 M KOH.

  17. Coupling of carboxylic groups onto the surface of polystyrene parts during fused filament fabrication

    Science.gov (United States)

    Nagel, Jürgen; Zimmermann, Philipp; Schubert, Oliver; Simon, Frank; Schlenstedt, Kornelia

    2017-11-01

    A method for the fabrication of polystyrene parts, modified with carboxylic groups during Fused Filament Fabrication (FFF), is being introduced. This method is based on the application of a thin layer of a reactive polymer carrying carboxylic groups on a substrate surface. A polystyrene film is printed on top of this layer. During contact between the hot melt and the reactive layer, a Friedel-Crafts type acylation using a green catalyst takes place, which attaches the reactive polymer to the polystyrene surface. The modified surface is homogeneous, hydrophilic and able to bind copper ions. The method could be used to fabricate unique parts of polystyrene with tailored surface functionalisation. It could be applied for laboratory use, e.g. for the manufacture of lab-on-a-chip devices.

  18. IR and UV laser-induced morphological changes in silicon surface under oxygen atmosphere

    Energy Technology Data Exchange (ETDEWEB)

    Jimenez-Jarquin, J.; Fernandez-Guasti, M.; Haro-Poniatowski, E.; Hernandez-Pozos, J.L. [Laboratorio de Optica Cuantica, Departamento de Fisica, Universidad Autonoma Metropolitana-Iztapalapa, Av. San Rafael Atlixco No. 186, Col. Vicentina, C.P. 09340, Mexico D.F. (Mexico)

    2005-08-01

    We irradiated silicon (100) wafers with IR (1064 nm) and UV (355 nm) nanosecond laser pulses with energy densities within the ablation regime and used scanning electron microscopy to analyze the morphological changes induced on the Si surface. The changes in the wafer morphology depend both on the incident radiation wavelength and the environmental atmosphere. We have patterned Si surfaces with a single focused laser spot and, in doing the experiments with IR or UV this reveals significant differences in the initial surface cracking and pattern formation, however if the experiment is carried out in O{sub 2} the final result is an array of microcones. We also employed a random scanning technique to irradiate the silicon wafer over large areas, in this case the microstructure patterns consist of a ''semi-ordered'' array of micron-sized cones. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  19. Faunal and oxygen isotopic evidence for surface water salinity changes during sapropel formation in the eastern Mediterranean

    International Nuclear Information System (INIS)

    Williams, D.F.; Thunell, R.C.

    1979-01-01

    The discovery of the widespread anaerobic deposits (sapropels) in late Cenozoic sediments of the eastern Mediteranean has prompted many workers to propose the periodic occurrence of extremely low surface salinites in the Mediterranean. Oxygen isotopic determinations and total faunal analyses were made at 1000-year intervals across two equivalent sapropels in two piston cores from the Levantine Basin. The sapropel layers were deposited approximately 9000 y.B.P. (Sapropel A) and 80, 000 y. B.P. (Sapropel B). Significant isotopic anomalies were recorded by the foraminiferal species within Sapropels A and B in both cores. The surface dwelling species record a larger 18 O depletion than the mesopelagic species suggesting that surface salinities were reduced by 2-3per 1000 during sapropel formation. The faunal changes associated with the sapropels also indicate that the oceanographic conditions which lead to anoxic conditions in the eastern Mediteranean involve the formation of a low salinity surface layer. The source of the low salinity water might be meltwater produced by disintegration of the Fennoscandian Ice Sheet which drained into the Black Sea, into the Aegean Sea and finally into the eastern Mediterranean. (Auth.)

  20. Surface analysis of topmost layer of epitaxial layered oxide thin film: Application to delafossite oxide for oxygen evolution reaction

    Science.gov (United States)

    Toyoda, Kenji; Adachi, Hideaki; Miyata, Nobuhiro; Hinogami, Reiko; Orikasa, Yuki; Uchimoto, Yoshiharu

    2018-02-01

    Delafossite oxides (ABO2) have a layered structure with alternating layers of A and B elements, the topmost layer of which appears to determine their performance, such as the oxygen evolution reaction (OER) activity. In this study, we investigated the topmost layer of single-domain (0 0 1)-oriented AgCoO2 epitaxial thin film for potential use as an OER catalyst. The thin film was confirmed to possess OER activity at a level comparable to the catalyst in powder form. Atomic scattering spectroscopy revealed the topmost layer to be composed of CoO6 octahedra. In situ X-ray absorption spectroscopy showed that the oxidation of Co at the surface did not change under different potentials, which suggests that there is no valence fluctuation of Co in the stable CoO6 octahedral structure. However, the oxidation number of Co at the surface was lower than that in the bulk. Our density functional theoretical calculations also showed the Co atoms at the surface to have a slightly higher electron occupancy than those in the bulk, and suggests that the unoccupied t2g states of Co at the surface have an influence on OER activity.

  1. Combinatorial Density Functional Theory-Based Screening of Surface Alloys for the Oxygen Reduction Reaction

    DEFF Research Database (Denmark)

    Greeley, Jeffrey Philip; Nørskov, Jens Kehlet

    2009-01-01

    for the ORR but, with few exceptions, they are found to be thermodynamically unstable in the acidic environments typical of low-temperature fuel cells. The results suggest that, absent other thermodynamic or kinetic mechanisms to stabilize the alloys, surface alloys are unlikely to serve as useful ORR......, potential-dependent computational tests of the stability of these alloys in aqueous, acidic environments are presented. These activity and stability criteria are applied to a database of DFT calculations on nearly 750 binary transition metal surface alloys; of these, many are predicted to be active...

  2. High-Flow Nasal Cannula Oxygenation in Immunocompromised Patients With Acute Hypoxemic Respiratory Failure: A Groupe de Recherche Respiratoire en Réanimation Onco-Hématologique Study.

    Science.gov (United States)

    Lemiale, Virginie; Resche-Rigon, Matthieu; Mokart, Djamel; Pène, Frédéric; Argaud, Laurent; Mayaux, Julien; Guitton, Christophe; Rabbat, Antoine; Girault, Christophe; Kouatchet, Achille; Vincent, François; Bruneel, Fabrice; Nyunga, Martine; Seguin, Amélie; Klouche, Kada; Colin, Gwenahel; Kontar, Loay; Perez, Pierre; Meert, Anne-Pascale; Benoit, Dominique D; Papazian, Laurent; Demoule, Alexandre; Chevret, Sylvie; Azoulay, Elie

    2017-03-01

    In immunocompromised patients with acute respiratory failure, invasive mechanical ventilation remains associated with high mortality. Choosing the adequate oxygenation strategy is of the utmost importance in that setting. High-flow nasal oxygen has recently shown survival benefits in unselected patients with acute respiratory failure. The objective was to assess outcomes of immunocompromised patients with hypoxemic acute respiratory failure treated with high-flow nasal oxygen. We performed a post hoc analysis of a randomized controlled trial of noninvasive ventilation in critically ill immunocompromised patients with hypoxemic acute respiratory failure. Twenty-nine ICUs in France and Belgium. Critically ill immunocompromised patients with hypoxemic acute respiratory failure. A propensity score-based approach was used to assess the impact of high-flow nasal oxygen compared with standard oxygen on day 28 mortality. Among 374 patients included in the study, 353 met inclusion criteria. Underlying disease included mostly malignancies (n = 296; 84%). Acute respiratory failure etiologies were mostly pneumonia (n = 157; 44.4%) or opportunistic infection (n = 76; 21.5%). Noninvasive ventilation was administered to 180 patients (51%). Invasive mechanical ventilation was ultimately needed in 142 patients (40.2%). Day 28 mortality was 22.6% (80 deaths). Throughout the ICU stay, 127 patients (36%) received high-flow nasal oxygen whereas 226 patients received standard oxygen. Ninety patients in each group (high-flow nasal oxygen or standard oxygen) were matched according to the propensity score, including 91 of 180 (51%) who received noninvasive ventilation. High-flow nasal oxygen was neither associated with a lower intubation rate (hazard ratio, 0.42; 95% CI, 0.11-1.61; p = 0.2) nor day 28 mortality (hazard ratio, 0.80; 95% CI, 0.45-1.42; p = 0.45). In immunocompromised patients with hypoxemic acute respiratory failure, high-flow nasal oxygen when compared with standard oxygen

  3. Electroless oxidation of diamond surfaces in ceric and ferricyanide solutions: An easy way to produce 'C-O' functional groups

    Energy Technology Data Exchange (ETDEWEB)

    Simon, N., E-mail: nathalie.simon@uvsq.f [Institut Lavoisier de Versailles, UMR 8180, Universite de Versailles-St-Quentin en Yvelines, 45 avenue des Etats Unis, 78000 Versailles (France); Charrier, G.; Etcheberry, A. [Institut Lavoisier de Versailles, UMR 8180, Universite de Versailles-St-Quentin en Yvelines, 45 avenue des Etats Unis, 78000 Versailles (France)

    2010-08-01

    Despite many works are devoted to oxidation of diamond surfaces, it is still a challenge, to successfully produce well defined 'C-O' functions, particularly for functionalization purposes. In this paper we describe and compare, for the first time, the 'electroless' oxidation of as-deposited polycrystalline boron-doped diamond (BDD) films in ceric and ferricyanide solutions at room temperature. Both reactions efficiently generate oxygen functionalities on BDD surface. While a higher amount of 'C-O' moieties is produced with Ce{sup 4+} as oxidizing agent, the use of ferricyanide specie seems the most interesting to specifically generate hydroxyl groups. Additionally, this easy to perform oxidative method appears not damaging for diamond surfaces and adapted to conductive or non-conductive materials. The resulting surfaces were characterized using X-ray photoelectron spectroscopy, contact angle and capacitance-voltage analysis.

  4. Community composition of ammonia-oxidizing archaea from surface and anoxic depths of oceanic oxygen minimum zones

    Directory of Open Access Journals (Sweden)

    Xuefeng ePeng

    2013-07-01

    Full Text Available Ammonia-oxidizing archaea (AOA have been reported at high abundance in much of the global ocean, even in environments, such as pelagic oxygen minimum zones (OMZs, where conditions seem unlikely to support aerobic ammonium oxidation. Due to the lack of information on any potential alternative metabolism of AOA, the AOA community composition might be expected to differ between oxic and anoxic environments, indicating some difference in ecology and/or physiology of the AOA assemblage. This hypothesis was tested by evaluating AOA community composition using a functional gene microarray that targets the ammonia monooxygenase gene subunit A (amoA. The relationship between environmental parameters and the biogeography of the Arabian Sea and the Eastern Tropical South Pacific (ETSP AOA assemblages was investigated using principal component analysis (PCA and redundancy analysis (RDA. In both the Arabian Sea and the ETSP, AOA communities within the core of the OMZ were not significantly different from those inhabiting the oxygenated surface waters above the OMZ. The AOA communities in the Arabian Sea were significantly different from those in the ETSP. In both oceans, the abundance of archaeal amoA gene in the core of the OMZ was higher than that in the surface waters. Our results indicate that AOA communities are distinguished by their geographic origin. RDA suggested that temperature was the main factor that correlated with the differences between the AOA communities from the Arabian Sea and those from the ETSP. Physicochemical properties that characterized the different environments of the OMZ and surface waters played a less important role, than did geography, in shaping the AOA community composition.

  5. Surface ferro (or antiferro) magnetism in bulk antiferro (or ferro) magnets: renormalization group analysis

    International Nuclear Information System (INIS)

    Sarmento, E.F.; Tsallis, C.

    1985-01-01

    The renormalization group techniques are applied, for the first time, to surface magnetism in bulk magnets, for all signs of surface and bulk coupling constants. The g-state Potts model is specifically focused, and a interesting q-evolution of the phase diagram is exhibited. In particular the Ising model (q=2) presents a remarkable feature: surface ferro (or antiferro) magnetism can disappear while heating an antiferro (or ferro) magnet, and reappear again for higher temperatures, before entering in the paramagnetic phase. (Author) [pt

  6. Extrapolated renormalization group calculation of the surface tension in square-lattice Ising model

    International Nuclear Information System (INIS)

    Curado, E.M.F.; Tsallis, C.; Levy, S.V.F.; Oliveira, M.J. de

    1980-06-01

    By using self-dual clusters (whose sizes are characterized by the numbers b=2, 3, 4, 5) within a real space renormalization group framework, the longitudinal surface tension of the square-lattice first-neighbour 1/2-spin ferromagnetic Ising model is calculated. The exact critical temperature T sub(c) is recovered for any value of b; the exact assymptotic behaviour of the surface tension in the limit of low temperatures is analytically recovered; the approximate correlation length critical exponents monotonically tend towards the exact value ν=1 (which, at two dimensions, coincides with the surface tension critical exponent μ) for increasingly large cells; the same behaviour is remarked in what concerns the approximate values for the surface tension amplitude in the limit T→T sub(c). Four different numerical procedures are developed for extrapolating to b→infinite the renormalization group results for the surface tension, and quite satisfactory agreement is obtained with Onsager's exact expression (error varying from zero to a few percent on the whole temperature domain). Furthermore the set of RG surface tensions is compared with a set of biased surface tensions (associated to appropriate misfit seams), and find only fortuitous coincidence among them. (Author) [pt

  7. Oxygen Plasma Treatment of Rubber Surface by the Atmospheric Pressure Cold Plasma Torch

    DEFF Research Database (Denmark)

    Lee, Bong-ju; Kusano, Yukihiro; Kato, Nobuko

    1997-01-01

    A new application of the atmospheric cold plasma torch has been investigated. Namely, the surface treatment of an air-exposed vulcanized rubber compound. The effect of plasma treatment was evaluated by the bondability of the treated rubber compound with another rubber compound using a polyurethane...

  8. Interaction of oxygen and carbon monoxide with Pt(111) at intermediate pressure and temperature : revisiting the fruit fly of surface science

    NARCIS (Netherlands)

    Bashlakov, Dmytro

    2014-01-01

    This thesis uses the surface science approach to address questions regarding the interaction of oxygen with platinum and its subsequent reaction with carbon monoxide. A Pt(111) single crystal surface is used as a model for the catalyst. Chapter 1 provides an overview of the literature on the

  9. Oxygen Depletion on the Surface of Mercury: Evidence of Silicon Smelting?

    Science.gov (United States)

    McCubbin, F. M.; Vander Kaaden, K. E.; Peplowski, P. N.; Bell, A. S.; Evans, L. G.; Nittler, L. R.; Boyce, J. W.; Keller, L. P.; McCoy, T. J.

    2017-01-01

    The MErcury Surface, Space ENvironment, GEochemistry, and Ranging (MESSENGER) spacecraft collected data that provided important insights into the structure, chemical makeup, and compositional diversity of Mercury. The X-Ray Spectrometer (XRS) and Gamma-Ray Spectrometer (GRS) onboard MESSENGER provided the first detailed chemical analyses of Mercury's surface. Among the many discoveries included several surprising characteristics about the surface of Mercury, including elevated S abundances (up to 4 percent by weight), low Fe abundances (less than 4 percent by weight), and relatively low O abundances (O/Si ratio of 1.40 plus or minus 0.03). The surface chemistry as determined by MESSENGER has been used to identify up to nine distinct geochemical terranes on Mercury. Numerous modeling and experimental efforts have been undertaken to infer the mineralogy and petrology of mercurian lavas and surface materials. However, all of these efforts have presumed valence states for each of the elements according to the following: Si4+, Ti4+, Al3+, Cr2+, Fe2+, Mn2+, Mg2+, Ca2+, Na+, K+, S2-, Cl-. Based on these valence assignments, cations are charged balanced with the anions O2-, S2-, and Cl- and the compositions are recast in terms of oxides, sulfides, and chlorides. Based on these assumptions, the geochemical terranes that have been identified on Mercury yield O/Si wt. ratios ranging from 1.61 to 1.84, which is substantially higher than the preliminary O/Si ratio of 1.40 plus or minus 0.03 determined by the MESSENGER GRS]. We have re-evaluated the O/Si ratio using the entire MESSENGER dataset to reassess its implications for the geochemistry of Mercury.

  10. Radiation-Driven Formation of Reactive Oxygen Species in Oxychlorine-Containing Mars Surface Analogues.

    Science.gov (United States)

    Georgiou, Christos D; Zisimopoulos, Dimitrios; Kalaitzopoulou, Electra; Quinn, Richard C

    2017-04-01

    The present study demonstrates that γ-radiolyzed perchlorate-containing Mars soil salt analogues (in a CO 2 atmosphere) generate upon H 2 O wetting the reactive oxygen species (ROS) superoxide radical (O 2 •- ), hydrogen peroxide (H 2 O 2 ), and hydroxyl radicals ( • OH). This study also validates that analogue radiolysis forms oxychlorine species that, in turn, can UV-photolyze to • OH upon UV photolysis. This investigation was made possible by the development of a new assay for inorganic-origin O 2 •- and H 2 O 2 determination and by the modification of a previous assay for soil • OH. Results show that radiolyzed Mg(ClO 4 ) 2 generates H 2 O 2 and • OH; and when included as part of a mixture analogous to the salt composition of samples analyzed at the Mars Phoenix site, the analogue generated O 2 •- , H 2 O 2 , and • OH, with • OH levels 150-fold higher than in the radiolyzed Mg(ClO 4 ) 2 samples. Radiolyzed Mars Phoenix site salt analogue that did not contain Mg(ClO 4 ) 2 generated only • OH also at 150-fold higher concentration than Mg(ClO 4 ) 2 alone. Additionally, UV photolysis of the perchlorate γ radiolysis product chlorite (ClO 2 - ) generated the oxychlorine products trihalide (Cl 3 - ), chlorine dioxide (ClO 2 • ), and hypochlorite (ClO - ), with the formation of • OH by UV photolysis of ClO - . While the generation of ROS may have contributed in part to 14 CO 2 production in the Viking Labeled Release (LR) experiment and O 2 (g) release in the Viking Gas Exchange (GEx) experiment, our results indicate that they are not likely to be the major contributor to the LR and GEx results. However, due to their highly reactive nature, they are expected to play a significant role in the alteration of organics on Mars. Additionally, experiments with hypochlorite show that the thermal stability of NaClO is in the range of the thermal stability observed for thermally liable oxidant responsible for the Viking LR results. Key Words: Mars-Oxygen

  11. Enrichment of Nanodiamond Surfaces with Carboxyl Groups for Doxorubicin Loading and Release

    Science.gov (United States)

    Astuti, Y.; Saputra, F. D.; Wuning, S.; Arnelli; Bhaduri, G.

    2017-02-01

    In their pristine state, nanodiamond crystals produced via detonation techniques containing several functional groups present on the surface including amine, amide, alcohol, carbonyl, and carboxyl. These functional groups facilitate nanodiamond to interact drugs so as to nanodiamond is potential for medical application such as drug delivery. Even though research on t he use of nanodiamond for this application has been conducted widely, research on the effect of enrichment of nanodiamond surface with carboxyl functional groups for drug loading and release has not been explored extensively. Therefore, in this paper, the effect of carboxyl-terminated nanodiamond (ND-COOH) on drug loading and release will be presented. The enrichment of nanodiamond with carboxyl groups was undertaken by treating nanodiamond with sulphuric acid and nitric acid. The results show that the doxorubicin (DOX) loading and release efficiencies of ND pristine are higher than that of ND-COOH.

  12. Star formation and the interstellar medium in low surface brightness galaxies - I. Oxygen abundances and abundance gradients in low surface brightness disk galaxies

    NARCIS (Netherlands)

    de Blok, WJG; van der Hulst, JM

    We present measurements of the oxygen abundances in 64 HII regions in 12 LSB galaxies. We find that oxygen abundances are low. No regions with solar abundance have been found, and most have oxygen abundances similar to 0.5 to 0.1 solar. The oxygen abundance appears to be constant as a function of

  13. Star formation and the interstellar medium in low surface brightness galaxies; 1, Oxygen abundances and abundance gradients in low surface brightness disk galaxies

    NARCIS (Netherlands)

    Blok, W. J. G. de; Hulst, J. M. van der

    1998-01-01

    Submitted to: Astron. Astrophys. Abstract: We present measurements of the oxygen abundances in 64 HII regions in 12 LSB galaxies. We find that oxygen abundances are low. No regions with solar abundance have been found, and most have oxygen abundances $sim 0.5$ to 0.1 solar. The oxygen abundance

  14. Adsorption and dissociation of oxygen molecules on Si(111)-(7×7) surface

    International Nuclear Information System (INIS)

    Niu, Chun-Yao; Wang, Jian-Tao

    2013-01-01

    The adsorption and dissociation of O 2 molecules on Si(111)-(7×7) surface have been studied by first-principles calculations. Our results show that all the O 2 molecular species adsorbed on Si(111)-(7×7) surface are unstable and dissociate into atomic species with a small energy barrier about 0.1 eV. The single O 2 molecule adsorption tends to form an ins×2 or a new metastable ins×2* structure on the Si adatom sites and the further coming O 2 molecules adsorb on those structures to produce an ad-ins×3 structure. The ad-ins×3 structure is indeed highly stable and kinetically limited for diving into the subsurface layer to form the ins×3-tri structure by a large barrier of 1.3 eV. Unlike the previous views, we find that all the ad-ins, ins×2, and ad-ins×3 structures show bright images, while the ins×2*, ins×3, and ins×3-tri structures show dark images. The proposed oxidation pathways and simulated scanning tunneling microscope images account well for the experimental results and resolve the long-standing confusion and issue about the adsorption and reaction of O 2 molecules on Si(111) surface

  15. Hemocompatibility and oxygenation performance of polysulfone membranes grafted with polyethylene glycol and heparin by plasma-induced surface modification.

    Science.gov (United States)

    Wang, Weiping; Zheng, Zhi; Huang, Xin; Fan, Wenling; Yu, Wenkui; Zhang, Zhibing; Li, Lei; Mao, Chun

    2017-10-01

    Polyethylene glycol (PEG) and heparin (Hep) were grafted onto polysulfone (PSF) membrane by plasma-induced surface modification to prepare PSF-PEG-Hep membranes used for artificial lung. The effects of plasma treatment parameters, including power, gas type, gas flow rate, and treatment time, were investigated, and different PEG chains were bonded covalently onto the surface in the postplasma grafting process. Membrane surfaces were characterized by water contact angle, PEG grafting degree, attenuated total reflectance-Fourier transform infrared spectroscopy, ultraviolet-visible spectrophotometry, X-ray photoelectron spectroscopy, critical water permeability pressure, and scanning electron microscopy. Protein adsorption, platelet adhesion, and coagulation tests showed significant improvement in the hemocompatibility of PSF-PEG-Hep membranes compared to pristine PSF membrane. Gas exchange tests through PSF-PEG6000-Hep membrane showed that when the flow rate of porcine blood reached 5.0 L/min, the permeation fluxes of O 2 and CO 2 reached 192.6 and 166.9 mL/min, respectively, which were close to the gas exchange capacity of a commercial membrane oxygenator. © 2016 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 105B: 1737-1746, 2017. © 2016 Wiley Periodicals, Inc.

  16. Surface modification of a natural zeolite by treatment with cold oxygen plasma: Characterization and application in water treatment

    Science.gov (United States)

    De Velasco-Maldonado, Paola S.; Hernández-Montoya, Virginia; Montes-Morán, Miguel A.; Vázquez, Norma Aurea-Rangel; Pérez-Cruz, Ma. Ana

    2018-03-01

    In the present work the possible surface modification of natural zeolite using cold oxygen plasma was studied. The sample with and without treatment was characterized using nitrogen adsorption isotherms at -196 °C, FT-IR spectroscopy, SEM/EDX analysis and X-Ray Diffraction. Additionally, the two samples were used for the removal of lead and acid, basic, reactive and food dyes in batch systems. The natural zeolite was found to be a mesoporous material with a low specific surface area (23 m2/g). X-ray patterns confirmed that clinoptilolite was the main crystal structure present in the natural zeolite. The molecular properties of dyes and the zeolitic structure were studied using molecular simulation, with the purpose to understand the adsorption mechanism. The results pointed out that only the roughness of the clinoptilolite was affected by the plasma treatment, whereas the specific surface area, chemical functionality and crystal structure remained constant. Finally, adsorption results confirmed that the plasma treatment had no significant effects on the dyes and lead retention capacities of the natural zeolite.

  17. The NO-carbon reaction: the influence of potassium and CO on reactivity and populations of oxygen surface complexes

    Energy Technology Data Exchange (ETDEWEB)

    Diana Lopez; Joseph Calo [Brown University, Providence, RI (United States). Division of Engineering

    2007-08-15

    Results on the effects of a metal catalyst and the role of CO as a reducing agent are reported for a resin char and a Wyodak coal char, as well as demineralized samples of the latter. The effect of an active metal catalyst, such as potassium in the current work, is to significantly increase the reactivity both by increasing the number of reaction sites via the catalyst dispersion and reducing the activation energy and by increasing CO{sub 2} production. The latter is a beneficial result because it means that less carbon is consumed per molecule of NO reduced. Additional CO in the gas phase 'catalyzes' NO reduction via the creation of more labile surface complexes and facilitation of desorption of other oxygen complexes. This effect decreases with an increasing temperature and disappears by about 1123 K. The activation energy of this reaction is comparable to that induced by the metal catalyst. 21 refs., 9 figs., 2 tabs.

  18. The adsorption of NO on an oxygen pre-covered Pt(1 1 1) surface: in situ high-resolution XPS combined with molecular beam studies

    Science.gov (United States)

    Zhu, J. F.; Kinne, M.; Fuhrmann, T.; Tränkenschuh, B.; Denecke, R.; Steinrück, H.-P.

    2003-12-01

    Adsorption of NO on a Pt(1 1 1) surface pre-covered with a p(2 × 2) atomic oxygen layer has been studied in situ by high-resolution X-ray photoelectron spectroscopy and temperature-programmed XPS using third-generation synchrotron radiation at BESSY II, Berlin, combined with molecular beam techniques and ex situ by low energy electron diffraction and temperature-programmed desorption. O 1s XP spectra reveal that an ordered p(2 × 2)-O layer dramatically changes the adsorption behavior of NO as compared to the clean surface. The atomic oxygen occupies fcc hollow sites, and therefore blocks NO adsorption on these sites, which are energetically preferred on clean Pt(1 1 1). As a consequence, NO populates on-top sites at low coverage. At 110 K for higher coverages, NO can additionally adsorb on hcp hollow sites, thereby inducing a shift of the O 1s binding energy of atomic oxygen towards lower energies by about 0.25 eV. The bond strength of the hcp hollow NO species to the substrate is weakened by the presence of atomic oxygen. A sharp p(2 × 2) LEED pattern is observed for NO adsorption on the oxygen pre-covered surface, up to saturation coverage. The total saturation coverage of NO on Pt(1 1 1) pre-covered with varying amounts of oxygen (below 0.25 ML) decreases linearly with the coverage of oxygen. The initial sticking coefficient of NO is reduced from 0.96 on clean Pt(1 1 1) to 0.88 on a p(2 × 2) oxygen pre-covered surface.

  19. Nanocrystalline diamond protects Zr cladding surface against oxygen and hydrogen uptake: nuclear fuel durability enhancement

    Czech Academy of Sciences Publication Activity Database

    Škarohlíd, J.; Ashcheulov, Petr; Škoda, R.; Taylor, Andrew; Čtvrtlík, R.; Tomaštík, J.; Fendrych, František; Kopeček, Jaromír; Cháb, Vladimír; Cichoň, Stanislav; Sajdl, P.; Macák, J.; Xu, P.; Partezana, J.M.; Lorinčík, J.; Prehradná, J.; Steinbrück, M.; Kratochvílová, Irena

    2017-01-01

    Roč. 7, Jul (2017), 1-14, č. článku 6469. ISSN 2045-2322 R&D Projects: GA MŠk LO1409; GA MŠk LM2015088; GA ČR(CZ) GA15-05095S; GA ČR(CZ) GA16-03085S; GA TA ČR TA04020156 Grant - others:FUNBIO(XE) CZ.2.16/3.1.00/21568 Institutional support: RVO:68378271 Keywords : nanocrystalline diamond * zirconium alloys * corrosion Subject RIV: JK - Corrosion ; Surface Treatment of Materials OBOR OECD: Coating and films Impact factor: 4.259, year: 2016

  20. Surface-binding through polyfunction groups of Rhodamine B on composite surface and its high performance photodegradation

    Energy Technology Data Exchange (ETDEWEB)

    Wan, Yiqun [College of Chemistry, Nanchang University, Nanchang 330031 (China); Center of Analysis and Testing, Nanchang University, Nanchang 330047 (China); Wang, Xiaofen [College of Chemistry, Nanchang University, Nanchang 330031 (China); Gu, Yun; Guo, Lan [College of Chemistry, Nanchang University, Nanchang 330031 (China); Center of Analysis and Testing, Nanchang University, Nanchang 330047 (China); Xu, Zhaodi, E-mail: xuzhaodi@ncu.edu.cn [Center of Analysis and Testing, Nanchang University, Nanchang 330047 (China)

    2016-03-15

    Graphical abstract: The proper adsorption sites of Rh B depending on the phases of composites significantly enhance photodegradation activity under visible light. - Highlights: • The composites ZnS/In(OH){sub 3}/In{sub 2}S{sub 3} were hydrothermally prepared. • Rhodamine B dye was effectively degraded by the composite under the visible light irradiation. • The three function groups of Rhodamine B bind on the composites ZnS/In(OH){sub 3}/In{sub 2}S{sub 3}. • The proper adsorption mode and site of Rhodamine B effectively suppress the combination of carrier. • A new degradation path of Rhodamine B on ZnS/In(OH){sub 3}/In{sub 2}S{sub 3} is found. - Abstract: A kind of novel composite ZnS/In(OH){sub 3}/In{sub 2}S{sub 3} is synthesized using zinc oxide nanoplates as zinc raw material during hydrothermal process. Although the obtained samples are composited of ZnS and In(OH){sub 3} and In{sub 2}S{sub 3} phase, the samples possess different structure, morphology and optical absorption property depending on molar ratio of raw materials. Zeta potential analysis indicates different surface electrical property since various content and particle size of the phases. The equilibrium adsorption study confirms the composite ZnS/In(OH){sub 3}/In{sub 2}S{sub 3} with surface negative charge is good adsorbent for Rhodamine B (Rh B) dye. In addition, the degradation of Rh B over the samples with surface negative charge under visible light (λ ≥ 420 nm) is more effective than the samples with surface positive charge. The samples before and after adsorbing Rh B molecule are examined by FTIR spectra and Zetasizer. It is found that the three function groups of Rh B molecule, especially carboxyl group anchors to surface of the sample through electrostatic adsorption, coordination and hydrogen-bond. It contributes to rapid transformation of photogenerated electron to conduction band of In(OH){sub 3} and suppresses the recombination of photogenerated carrier. The possible

  1. A Chord Diagrammatic Presentation of the Mapping Class Group of a Once Bordered Surface

    DEFF Research Database (Denmark)

    Bene, Alex

    The Ptolemy groupoid is a combinatorial groupoid generated by elementary moves on marked trivalent fatgraphs with three types of relations. Through the fatgraph decomposition of Teichm\\"uller space, the Ptolemy groupoid is a mapping class group equivariant subgroupoid of the fundamental path...... groupoid of Teichm\\"uller space with a discrete set objects. In particular, it leads to an infinite, but combinatorially simple, presentation of the mapping class group of an orientable surface. In this note, we give a presentation of a full mapping class group equivariant subgroupoid of the Ptolemy...

  2. Solubilization of lignite and behavior of oxygen containing functional groups in coal with superacid; Chokyosan wo mochiita kattan no kayoka oyobi sanso kannoki no kyodo

    Energy Technology Data Exchange (ETDEWEB)

    Shimizu, K.; Saito, I. [National Institute for Resources and Environment, Tsukuba (Japan); Sasaki, S.; Suganuma, A. [Science University of Tokyo, Tokyo (Japan). Faculty of Science and Technology

    1996-10-28

    Solubilization of lignite including a large amount of oxygen containing functional groups was attempted using HF/BF3, and the behavior of oxygen containing functional group, one of the important factors for coal liquefaction, was studied. In experiment, the cooled slurry of Yallourn coal specimen and solvent (toluene, isopentane) was filled into a vacuum autoclave together with HF/BF3. Reaction was performed under spontaneous pressure at 50, 100 or 150{degree}C for 3 hours. The distribution of oxygen containing functional groups in each coal specimen was determined by quantification of carboxyl group, hydroxyl group and carbonyl group. As the experimental result, the superacid mixture of HF and BF3 considerably improved the solubility of coal specimens into solvent as compared with individual HF and BF3. The solubility was 68wt% into benzene, 96% into THF and 99% (nearly 100%) into pyridine. It was suggested that production of Broensted acid with strong acidity causes strong catalysis. 6 refs., 2 figs., 1 tab.

  3. Effects of chlorine and oxygen coverage on the structure of the Au(111) surface

    International Nuclear Information System (INIS)

    Baker, Thomas A.; Friend, Cynthia M.; Kaxiras, Efthimios

    2009-01-01

    We investigate the effects of Cl and O coverage on the atomic structure of the Au(111) surface using density functional theory calculations. We find that the release and incorporation of gold atoms in the adsorbate layer becomes energetically favorable only at high coverages of either O or Cl (>0.66 ML (monolayer) for O and >0.33 ML for Cl), whereas adsorption without the incorporation of gold is favorable at lower coverages. The bonding between the adsorbate and gold substrate changes significantly with coverage, becoming more covalent (less ionic) at higher Cl and O coverage. This is based on the fact that at higher coverages there is less ionic charge transfer to the adsorbate, while the electron density in the region between the adsorbate and a surface gold atom is increased. Our results illustrate that the O and Cl coverage on Au(111) can dramatically affect its structure and bonding, which are important features in any application of gold involving these adsorbates.

  4. Enhanced Group Delay of the Pulse Reflection with Graphene Surface Plasmon via Modified Otto Configuration

    Directory of Open Access Journals (Sweden)

    Guimei Li

    2017-01-01

    Full Text Available In this paper, the group delay of the transverse magnetic (TM polarized wave reflected from a modified Otto configuration with graphene surface plasmon is investigated theoretically. The findings show that the optical group delay in this structure can be enhanced negatively and can be switched from negative to positive due to the excitation of surface plasmon by graphene. It is clear that the negative group delay can be actively tuned through the Fermi energy of the graphene. Furthermore, the delay properties can also be manipulated by changing either the relaxation time of graphene or the distance between the coupling prism and the graphene. These tunable delay characteristics are promising for fabricating grapheme-based optical delay devices and other applications in the terahertz regime.

  5. The dynamics of ultraviolet-induced oxygen vacancy at the surface of insulating SrTiO{sub 3}(0 0 1)

    Energy Technology Data Exchange (ETDEWEB)

    Suwanwong, S. [School of Physics, Suranaree University of Technology, Nakhon Ratchasima 30000 (Thailand); Program in General Science Teaching, Faculty of Education, Vongchavalitkul University, Nakhon Ratchasima 30000 (Thailand); Eknapakul, T. [School of Physics, Suranaree University of Technology, Nakhon Ratchasima 30000 (Thailand); Rattanachai, Y. [Department of Applied Physics, Faculty of Sciences and Liberal Arts, Rajamangala University of Technology Isan, Nakhon Ratchasima 30000 (Thailand); Masingboon, C. [School of Physics, Suranaree University of Technology, Nakhon Ratchasima 30000 (Thailand); Faculty of Science and Engineering, Kasetsart University, Chalermphrakiat Sakon Nakhon Province Campus, Sakon Nakhon 47000 (Thailand); Rattanasuporn, S.; Phatthanakun, R.; Nakajima, H. [Synchrotron Light Research Institute, Nakhon Ratchasima 30000 (Thailand); King, P.D.C. [SUPA, School of Physics and Astronomy, University of St. Andrews, St. Andrews, Fife KY16 9SS (United Kingdom); Hodak, S.K. [Department of Physics, Faculty of Science, Chulalongkorn University, Bangkok 10330 (Thailand); Meevasana, W., E-mail: worawat@g.sut.ac.th [School of Physics, Suranaree University of Technology, Nakhon Ratchasima 30000 (Thailand); NANOTEC-SUT Center of Excellence on Advanced Functional Nanomaterials, Suranaree University of Technology, Nakhon Ratchasima 30000 (Thailand); Thailand Center of Excellence in Physics, CHE, Bangkok 10400 (Thailand)

    2015-11-15

    Highlights: • The dynamics of UV-induced oxygen vacancy is studied from the change of surface resistance. • The formation of 2DEG at the insulating surface of SrTiO{sub 3} is confirmed by ARPES. • The UV-induced change in resistance responds differently to oxygen/gas exposure. • The behavior of resistance recovery suggests an alternative method of low-pressure sensing. - Abstract: The effect of ultra-violet (UV) irradiation on the electronic structure and the surface resistance of an insulating SrTiO{sub 3}(0 0 1) crystal is studied in this work. Upon UV irradiation, we show that the two-dimensional electron gas (2DEG) emerges at the insulating SrTiO{sub 3} surface and there is a pronounced change in the surface resistance. By combining the observations of the change in valance band and the resistance change under different environments of gas pressure and gas species, we find that UV-induced oxygen vacancies at the surface plays a major role in the resistance change. The dynamic of the resistance change at different oxygen pressures also suggests an alternative method of low-pressure sensing.

  6. The dynamics of ultraviolet-induced oxygen vacancy at the surface of insulating SrTiO3(0 0 1)

    International Nuclear Information System (INIS)

    Suwanwong, S.; Eknapakul, T.; Rattanachai, Y.; Masingboon, C.; Rattanasuporn, S.; Phatthanakun, R.; Nakajima, H.; King, P.D.C.; Hodak, S.K.; Meevasana, W.

    2015-01-01

    Highlights: • The dynamics of UV-induced oxygen vacancy is studied from the change of surface resistance. • The formation of 2DEG at the insulating surface of SrTiO 3 is confirmed by ARPES. • The UV-induced change in resistance responds differently to oxygen/gas exposure. • The behavior of resistance recovery suggests an alternative method of low-pressure sensing. - Abstract: The effect of ultra-violet (UV) irradiation on the electronic structure and the surface resistance of an insulating SrTiO 3 (0 0 1) crystal is studied in this work. Upon UV irradiation, we show that the two-dimensional electron gas (2DEG) emerges at the insulating SrTiO 3 surface and there is a pronounced change in the surface resistance. By combining the observations of the change in valance band and the resistance change under different environments of gas pressure and gas species, we find that UV-induced oxygen vacancies at the surface plays a major role in the resistance change. The dynamic of the resistance change at different oxygen pressures also suggests an alternative method of low-pressure sensing.

  7. The effect of oxygen vacancies on the stability, electronic and optical properties of the ZnAl2O4(100) surface; A first-principles study

    Science.gov (United States)

    Lahmer, M. A.

    2018-03-01

    The effect of oxygen vacancy formation on the stability, structural, electronic, and optical properties of the ZnAl2O4(100) surface was investigated by using the first-principles method. The obtained results show that, in the case of the Free-defect surface, the AlO2-terminated surface is more stable than the Zn-terminated surface. The results of structural relaxation show that, for each surface termination, the interlayer distances near the surface oscillate in a damping style. In addition, the work function values and the optical properties of these two surfaces are quite different. Our results show that the work function of the Zn-terminated surface is at least 2 times smaller than that of the AlO2 surface. On the other hand, ab initio thermodynamic calculations show that the O reduction occurs in the case of the AlO2 surface under all growth conditions, while, there is no evidence for O reduction in the case of the Zn-terminated surface. Our results show also that neutral oxygen vacancies can affect greatly the electronic and optical properties of the ZnAl2O4(100) surface.

  8. Layout designs of surface barrier coatings for boosting the capability of oxygen/vapor obstruction utilized in flexible electronics

    Science.gov (United States)

    Lee, Chang-Chun; Huang, Pei-Chen; He, Jing-Yan

    2018-04-01

    Organic light-emitting diode-based flexible and rollable displays have become a promising candidate for next-generation flexible electronics. For this reason, the design of surface multi-layered barriers should be optimized to enhance the long-term mechanical reliability of a flexible encapsulation that prevents the penetration of oxygen and vapor. In this study, finite element-based stress simulation was proposed to estimate the mechanical reliability of gas/vapor barrier design with low-k/silicon nitride (low-k/SiNx) stacking architecture. Consequently, stress-induced failure of critical thin films within the flexible display under various bending conditions must be considered. The feasibility of one pair SiO2/SiNx barrier design, which overcomes the complex lamination process, and the critical bending radius, which is decreased to 1.22 mm, were also examined. In addition, the influence of distance between neutral axes to the concerned layer surface dominated the induced-stress magnitude rather than the stress compliant mechanism provided from stacked low-k films.

  9. Study of an Ozone Composing Mechanism derived from the Third Element on Surface of Electrode using Oxygen Gas: Part 2

    Science.gov (United States)

    Murai, Akira; Nakajima, Tsuyoshi

    In our third experiment, we changed the density of nitrogen through the addition of heat energy to the anode. A computer simulation confirmed the same phenomenon. Then the copper anode was replaced with an antimony anode. We found that antimony worked better than nitrogen as a third element. Finally, in the fourth experiment, we used an industrial ozone generator including ceramic dielectrics and a titanium expanded metal electrode. A decrease in the temperature of the cooling water led to a proportional increase in ozone. It follows the formula of van't Hoff. After spattering the surface of the electrodes with argon gas and supplying the ozone generator with 99% oxygen, we were able to produce ozone which was more than 20% higher in concentration than primary state ozone under the same conditions. The ozone generator produced ozone in high yield efficiency due to the optimum density of a third element like nitrogen on the surface of the electrodes. Antimony works better than nitrogen does as a third element.

  10. Influence of an oxygen-inhibited layer on enamel bonding of dental adhesive systems: surface free-energy perspectives.

    Science.gov (United States)

    Ueta, Hirofumi; Tsujimoto, Akimasa; Barkmeier, Wayne W; Oouchi, Hajime; Sai, Keiichi; Takamizawa, Toshiki; Latta, Mark A; Miyazaki, Masashi

    2016-02-01

    The influence of an oxygen-inhibited layer (OIL) on the shear bond strength (SBS) to enamel and surface free-energy (SFE) of adhesive systems was investigated. The adhesive systems tested were Scotchbond Multipurpose (SM), Clearfil SE Bond (CS), and Scotchbond Universal (SU). Resin composite was bonded to bovine enamel surfaces to determine the SBS, with and without an OIL, of adhesives. The SFE of cured adhesives with and without an OIL were determined by measuring the contact angles of three test liquids. There were no significant differences in the mean SBS of SM and CS specimens with or without an OIL; however, the mean SBS of SU specimens with an OIL was significantly higher than that of SU specimens without an OIL. For all three systems, the mean total SFE (γS), polarity force (γSp), and hydrogen bonding force (γSh) values of cured adhesives with an OIL were significantly higher than those of cured adhesives without an OIL. The results of this study indicate that the presence of an OIL promotes higher SBS of a single-step self-etch adhesive system, but not of a three-step or a two-step self-etch primer system. The SFE values of cured adhesives with an OIL were significantly higher than those without an OIL. The SFE characteristics of the OIL of adhesives differed depending on the type of adhesive. © 2015 Eur J Oral Sci.

  11. Stabilization of organometal halide perovskite films by SnO2 coating with inactive surface hydroxyl groups on ZnO nanorods

    Science.gov (United States)

    Wang, Peng; Zhao, Jinjin; Liu, Jinxi; Wei, Liyu; Liu, Zhenghao; Guan, Lihao; Cao, Guozhong

    2017-01-01

    Perovskite solar cells have advanced rapid in the last few years, however the thermal instability of perovskite film on ZnO nanorods (NRs) remains a big challenge limiting its commercialization. The present work demonstrated effective suppression of the decomposition of CH3NH3PbI3 perovskite through inserting a thin tin oxide (SnO2) passivation layer between ZnO NRs and perovskite films. Although X-ray photoelectron spectroscopy (XPS) results showed no distinct difference in the amount of hydroxyl groups and oxygen vacancies on the surface of ZnO NRs and ZnO@SnO2 NRs, Raman spectra suggested the hydroxyl groups might be trapped in oxygen vacancies on SnO2 surface, preventing the decomposition of CH3NH3PbI3 perovskite through reacting with the hydroxyl groups. The power conversion efficiency of perovskite solar cells was significantly increased from 6.92% to 12.17% and became hysteresis-free by applying SnO2 passivating layer between perovskite and ZnO layers.

  12. Radial Oxygen Loss in the Rhizosphere of Wild Rice as a Control On Root Surface Mineral Precipitation

    Science.gov (United States)

    Murphy, K.; Trejo, B.; LaFond-Hudson, S.

    2017-12-01

    Wild rice (Zizania palustris) is an aquatic plant native to the Great Lakes region that is culturally and nutritionally significant for the Ojibwe people of Northern Minnesota. Concern for the future health of wild rice populations has increased amidst ongoing pressures from proposed mining projects that risk sulfate contamination to natural waters. Although sulfate itself is not toxic to wild rice, bacteria living in anoxic sediments use the sulfate as an electron acceptor, converting it to sulfide, which subsequently precipitates in the form of iron-sulfide on the root surface of wild rice. These precipitates are linked to lowered viability of wild rice. Most wetland plants are able to shield against the harmful accumulation of these precipitates through a process known as radial oxygen loss (ROL), in which oxygen leaches from roots into anoxic sediments to form protective iron-oxide plaques. This mechanism, however, had yet to be experimentally confirmed in wild rice. In this study, we eliminated the potential for ROL to occur in wild rice prior to the reproductive phase, and measured the rates of iron-sulfide accumulation on the roots and in associated sediments. We compared these data with the geochemical composition of roots and sediment from wild rice that accumulated iron-sulfide precipitate during the reproductive phase. In doing so, we demonstrate that ROL is indeed a mechanism by which wild rice protects itself against sulfide exposure, and examine the nuances of ROL as it relates to the life cycle of wild rice. The better we understand the vulnerability of wild rice across its life cycle and comparative rates of both toxic and protective precipitate accumulation, the better we can approach wild rice conservation.

  13. 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.

  14. Combinatorial Methods for Detecting Surface Subgroups in Right-Angled Artin Groups

    OpenAIRE

    Bell, Robert W.

    2010-01-01

    We give a short proof of the following theorem of Sang-hyun Kim: if $A(\\Gamma)$ is a right-angled Artin group with defining graph $\\Gamma$, then $A(\\Gamma)$ contains a hyperbolic surface subgroup if $\\Gamma$ contains an induced subgraph $\\bar{C}_n$ for some $n \\geq 5$, where $\\bar{C}_n$ denotes the complement graph of an $n$-cycle. Furthermore, we give a new proof of Kim's co-contraction theorem.

  15. Different chemical groups modification on the surface of chitosan nonwoven dressing and the hemostatic properties.

    Science.gov (United States)

    Yan, Dong; Hu, Shihao; Zhou, Zhongzheng; Zeenat, Shah; Cheng, Feng; Li, Yang; Feng, Chao; Cheng, Xiaojie; Chen, Xiguang

    2018-02-01

    The hemostatic properties of surface modified chitosan nonwoven had been investigated. The succinyl groups, carboxymethyl groups and quaternary ammonium groups were introduced into the surface of chitosan nonwoven (obtained NSCS, CMCS and TMCS nonwoven, respectively). For blood clotting, absorbance value (0.105±0.03) of NSCS1 nonwoven was the smallest (CS 0.307±0.002, NSCS2 0.148±0.002, CMCS1 0.195±0.02, CMCS2 0.233±0.001, TMCS1 0.191±0.002, TMCS2 0.345±0.002), which indicated the stronger hemostatic potential. For platelet aggregation, adenosine diphosphate agonist was added to induce the nonwoven to adhered platelets. The aggregation of platelet with TMCS2 nonwoven was highest (10.97±0.16%). Further research of blood coagulation mechanism was discussed, which indicated NSCS and CMCS nonwoven could activate the intrinsic pathway of coagulation to accelerate blood coagulation. NSCS1 nonwoven showed the shortest hemostatic time (147±3.7s) and the lowest blood loss (0.23±0.05g) in a rabbit ear artery injury model. These results demonstrated that these surface modified chitosan nonwoven dressings could use as a promising hemostatic intervention, especially NSCS nonwoven dressing. Copyright © 2017 Elsevier B.V. All rights reserved.

  16. 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

  17. Chemical reactions on platinum-group metal surfaces studied by synchrotron-radiation-based spectroscopy

    International Nuclear Information System (INIS)

    Kondoh, Hiroshi; Nakai, Ikuyo; Nagasaka, Masanari; Amemiya, Kenta; Ohta, Toshiaki

    2009-01-01

    A new version of synchrotron-radiation-based x-ray spectroscopy, wave-length-dispersive near-edge x-ray absorption fine structure (dispersive-NEXAFS), and fast x-ray photoelectron spectroscopy have been applied to mechanistic studies on several surface catalytic reactions on platinum-group-metal surfaces. In this review, our approach using above techniques to understand the reaction mechanism and actual application studies on three well-known catalytic surface reactions, CO oxidation on Pt(111) and Pd(111), NO reduction on Rh(111), and H 2 O formation on Pt(111), are introduced. Spectroscopic monitoring of the progress of the surface reactions enabled us to detect reaction intermediates and analyze the reaction kinetics quantitatively which provides information on reaction order, rate constant, pre-exponential factor, activation energy and etc. Such quantitative analyses combined with scanning tunneling microscopy and kinetic Monte Carlo simulations revealed significant contribution of the adsorbate configurations and their dynamic changes to the reaction mechanisms of the above fundamental catalytic surface reactions. (author)

  18. Proton migration along the membrane surface in the absence of charged or titratable groups

    International Nuclear Information System (INIS)

    Springer, A.

    2011-01-01

    Proton diffusion along membrane surfaces is thought to be essential for many cellular processes such as energy transduction. For example, proton diffusion along membrane surfaces is considered to be the dominant mechanism of proton exchange between membrane sites of high and low proton concentrations. For the investigation of this mechanism, kinetic experiments on proton diffusion are evaluated to determine the ability of lipid membranes to retain protons on their surfaces. Experiments on different lipid bilayer membranes (DPhPC, DPhPE and GMO) are performed under the influence of two types of mobile buffer molecules (Capso, NH4CL). During these experiments the surface diffusion of photolytically released protons is visualized in terms of fluorescence changes of a lipid bound pH-sensitive dye (DHPE +fluorescein). The protons under investigation are released by flash photolysis of a hydrophobic caged compound (DMCM, caged diethyl phosphate). The experimental data confirm the existence of an energy barrier, which prevents the protons from escaping into the bulk. So far this effect was attributed to the proton binding to titrateable groups (e.g. ethanolamine) or electrostatic forces created by charged moieties (e.g. phosphate groups) on the membrane/water interface. However, upon removal of the titrateable groups and charged moieties from the membrane surface, a significant energy barrier remained as indicated by the experiments with glycerol monooleate (GMO) bilayers. To estimate the size of the barrier a semi-analytical model is presented that describes the two and three dimensional proton diffusion and the related physical and chemical processes. Common models describe surface proton diffusion as a series of subsequent hopping processes between membrane-anchored buffer molecules. Our experiments provide evidence for an alternative model. We released membrane-bound caged protons by UV flashes and monitored their arrival at distant sites s by fluorescence

  19. Photoemission studies of oxygen adsorbed on a LiAl(1-bar 1-bar 0) alloy surface: Role of Li segregation

    International Nuclear Information System (INIS)

    Lee, D.; Lee, H.G.; Hwang, C.; Maeng, J.Y.; Kim, S.; Kim, K.-J.; Kim, B.

    2006-01-01

    We investigated that the effect of the number of segregated Li atoms on the rate of oxidation on a LiAl alloy surface. Oxygen molecules adsorbed on the LiAl alloy react with the surface atoms to form stable oxides. The segregated Li atoms at reconstructed surfaces (c(2x2) and (2x1)) enhance the oxidation rate and form stable LiAlO x and Li 2 O. The degree of enhancement of oxidation by segregated Li atoms varies as a function of O 2 exposure and annealing temperature, where the latter is directly related to the mode of surface reconstruction by Li segregation

  20. Oxygen surface exchange kinetics measurement by simultaneous optical transmission relaxation and impedance spectroscopy: Sr(Ti,Fe)O3-x thin film case study

    Science.gov (United States)

    Perry, Nicola H.; Kim, Jae Jin; Tuller, Harry L.

    2018-01-01

    Abstract We compare approaches to measure oxygen surface exchange kinetics, by simultaneous optical transmission relaxation (OTR) and AC-impedance spectroscopy (AC-IS), on the same mixed conducting SrTi0.65Fe0.35O3-x film. Surface exchange coefficients were evaluated as a function of oxygen activity in the film, controlled by gas partial pressure and/or DC bias applied across the ionically conducting yttria-stabilized zirconia substrate. Changes in measured light transmission through the film over time (relaxations) resulted from optical absorption changes in the film corresponding to changes in its oxygen and oxidized Fe (~Fe4+) concentrations; such relaxation profiles were successfully described by the equation for surface exchange-limited kinetics appropriate for the film geometry. The kchem values obtained by OTR were significantly lower than the AC-IS derived kchem values and kq values multiplied by the thermodynamic factor (bulk or thin film), suggesting a possible enhancement in k by the metal current collectors (Pt, Au). Long-term degradation in kchem and kq values obtained by AC-IS was also attributed to deterioration of the porous Pt current collector, while no significant degradation was observed in the optically derived kchem values. The results suggest that, while the current collector might influence measurements by AC-IS, the OTR method offers a continuous, in situ, and contact-free method to measure oxygen exchange kinetics at the native surfaces of thin films. PMID:29511391

  1. SnO2 promoted by alkali metal oxides for soot combustion: The effects of surface oxygen mobility and abundance on the activity

    Science.gov (United States)

    Rao, Cheng; Shen, Jiating; Wang, Fumin; Peng, Honggen; Xu, Xianglan; Zhan, Hangping; Fang, Xiuzhong; Liu, Jianjun; Liu, Wenming; Wang, Xiang

    2018-03-01

    In this study, SnO2-based catalysts promoted by different alkali metal oxides with a Sn/M (M = Li, Na, K, Cs) molar ratio of 9/1 have been prepared for soot combustion. In comparison with the un-modified SnO2 support, the activity of the modified catalysts has been evidently enhanced, following the sequence of CsSn1-9 > KSn1-9 > NaSn1-9 > LiSn1-9 > SnO2. As testified by Raman, H2-TPR, soot-TPR-MS, XPS and O2-TPD results, the incorporation of various alkali metal oxides can induce the formation of more abundant and mobile oxygen species on the surface of the catalysts. Moreover, quantified results have proved that the amount of the surface active oxygen species is nearly proportional to the activity of the catalysts. CsSn1-9, the catalyst promoted by cesium oxide, owns the largest amount of surface mobile oxygen species, thus having the highest activity among all the studied catalysts. It is concluded that the amount of surface active and mobile oxygen species is the major factor determining the activity of the catalysts for soot combustion.

  2. Hierarchical micron-sized mesoporous/macroporous graphene with well-tuned surface oxygen chemistry for high capacity and cycling stability Li-O2 battery.

    Science.gov (United States)

    Zhou, Wei; Zhang, Hongzhang; Nie, Hongjiao; Ma, Yiwen; Zhang, Yining; Zhang, Huamin

    2015-02-11

    Nonaqueous Li-O2 battery is recognized as one of the most promising energy storage devices for electric vehicles due to its super-high energy density. At present, carbon or catalyst-supporting carbon materials are widely used for cathode materials of Li-O2 battery. However, the unique electrode reaction and complex side reactions lead to numerous hurdles that have to be overcome. The pore blocking caused by the solid products and the byproducts generated from the side reactions severely limit the capacity performance and cycling stability. Thus, there is a great need to develop carbon materials with optimized pore structure and tunable surface chemistry to meet the special requirement of Li-O2 battery. Here, we propose a strategy of vacuum-promoted thermal expansion to fabricate one micron-sized graphene matrix with a hierarchical meso-/macroporous structure, combining with a following deoxygenation treatment to adjust the surface chemistry by reducing the amount of oxygen and selectively removing partial unstable groups. The as-made graphene demonstrates dramatically tailored pore characteristics and a well-tuned surface chemical environment. When applied in Li-O2 battery as cathode, it exhibits an outstanding capacity up to 19 800 mA h g(-1) and is capable of enduring over 50 cycles with a curtaining capacity of 1000 mA h g(-1) at a current density of 1000 mA g(-1). This will provide a novel pathway for the design of cathodes for Li-O2 battery.

  3. Ni-Doping Effects on Oxygen Removal from an Orthorhombic Mo 2 C (001) Surface: A Density Functional Theory Study

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Mingxia [Department; Cheng, Lei [Materials; Choi, Jae-Soon [Oak Ridge National Laboratory, 1 Bethel Valley Road, Oak Ridge, TN 37831, Unites States; Liu, Bin [Department; Curtiss, Larry A. [Materials; Assary, Rajeev S. [Materials

    2018-01-11

    Density functional theory (DFT) calculations were used to investigate the effect of Ni dopants on the removal of chemisorbed oxygen (O*) from the Mo-terminated (T-Mo) and C-terminated (Tc) Mo2C(001) surfaces. The removal of adsorbed oxygen from the catalytic site is essential to maintain the long-term activity and selectivity of the carbide catalysts in the deoxygenation process related to bio-oil stabilization and upgrading. In this contribution, the computed reaction energetics and reaction barriers of O* removal were compared among undoped and Ni-doped Mo2C(001) surfaces. The DFT calculations indicate that selected Ni-doped surfaces such as Ni adsorbed on T-Mo and Tc Mo2C(001) surfaces enable weaker binding of important reactive intermediates (O*, OH*) compared to the undoped counterparts, which is beneficial for the O* removal from the catalyst surface. This study thus confirms the promoting effect of the Ni dopant on O* removal reaction on the T-Mo Mo2C(001) and Tc Mo2C(001) surfaces. This computational prediction has been confirmed by the temperature-programmed reduction profiles of Mo2C and Ni-doped Mo2C catalysts, which had been passivated and stored in an oxygen environment.

  4. Influence of the Oxygen-inhibited Layer on Bonding Performance of Dental Adhesive Systems: Surface Free Energy Perspectives.

    Science.gov (United States)

    Tsujimoto, Akimasa; Barkmeier, Wayne W; Takamizawa, Toshiki; Latta, Mark A; Miyazaki, Masashi

    2016-01-01

    To examine the influence of the oxygen inhibited layer (OIL) on shear bond strength (SBS) to dentin and surface free energy (SFE) characteristics of different adhesive systems. Three adhesive systems were used: Scotchbond Multipurpose (SM), Clearfil SE Bond (CS), and Scotchbond Universal (SU). Resin composite was bonded to dentin surfaces to determine SBS with and without OIL of adhesives. The SFE, dispersion force (γSd), polarity force (γSp), and hydrogen bonding force (γSh) of cured adhesives with and without an OIL were measured. Two-way ANOVA and Tukey's honestly significant difference (HSD) test were used for analysis of SBS data, and one-way ANOVA and Tukey's HSD test were used for the SFE and contact angle data. The SBS of SM and CS showed no significant differences between specimens with and without the OIL. However, the SBS of SU with the OIL was significantly higher than without the OIL. The SFE, γSp, and γSh of cured adhesives with an OIL were significantly higher than those of cured adhesives without an OIL. The SFE, γSp, and γSh of SM and CS with an OIL were significantly higher than those of SU with an OIL. The results of this study indicate that the presence of an OIL with a single-step self-etching adhesive promotes higher SBS to dentin, unlike in the other types of adhesive systems. The SFE characteristics of the OIL of dental adhesives differed depending on the type of adhesive system.

  5. An oxygen-insensitive degradable resist for fabricating metallic patterns on highly curved surfaces by UV-nanoimprint lithography.

    Science.gov (United States)

    Hu, Xin; Huang, Shisong; Gu, Ronghua; Yuan, Changsheng; Ge, Haixiong; Chen, Yanfeng

    2014-10-01

    In this paper, an oxygen-insensitive degradable resist for UV-nanoimprint is designed, com-prising a polycyclic degradable acrylate monomer, 2,10-diacryloyloxymethyl-1,4,9,12-tetraoxa-spiro [4.2.4.2] tetradecane (DAMTT), and a multifunctional thiol monomer pentaerythritol tetra(3-mercaptopropionate) (PETMP). The resist can be quickly UV-cured in the air atmosphere and achieve a high monomer conversion of over 98%, which greatly reduce the adhesion force between the resist and the soft mold. High conversion, in company with an adequate Young's modulus (about 1 GPa) and an extremely low shrinkage (1.34%), promises high nanoimprint resolution of sub-50 nm. The cross-linked resist is able to break into linear molecules in a hot acid solvent. As a result, metallic patterns are fabricated on highly curved surfaces via the lift off process without the assistance of a thermoplastic polymer layer. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Modulation of resistive switching characteristics for individual BaTiO3 microfiber by surface oxygen vacancies

    Science.gov (United States)

    Miao, Zhilei; Chen, Lei; Zhou, Fang; Wang, Qiang

    2018-01-01

    Different from traditional thin-film BaTiO3 (BTO) RRAM device with planar structure, individual microfiber-shaped RRAM device, showing promising application potentials in the micro-sized non-volatile memory system, has not been investigated so far to demonstrate resistive switching behavior. In this work, individual sol-gel BTO microfiber has been formed using the draw-bench method, followed by annealing in different atmospheres of air and argon, respectively. The resistive switching characteristics of the individual BTO microfiber have been investigated by employing double-probe SEM measurement system, which shows great convenience to test local electrical properties by modulating the contact sites between the W probes and the BTO microfiber. For the sample annealed in air, the average resistive ON/OFF ratio is as high as 108, enhanced about four orders in comparison with the counterpart that annealed in Argon. For the sample annealed in argon ambience, the weakened resistive ON/OFF ratio can be attributed to the increased presence of oxygen vacancies in the surface of BTO fibers, and the underlying electrical conduction mechanisms are also discussed.

  7. Effects of wastewater discharge on formation of Fe plaque on root surface and radial oxygen loss of mangrove roots

    Energy Technology Data Exchange (ETDEWEB)

    Pi, N. [Department of Biology and Chemistry, City University of Hong Kong, Tat Chee Avenue, Kowloon Tong, Kowloon (Hong Kong); Tam, N.F.Y., E-mail: bhntam@cityu.edu.h [Department of Biology and Chemistry, City University of Hong Kong, Tat Chee Avenue, Kowloon Tong, Kowloon (Hong Kong); Wong, M.H. [Croucher Institute for Environmental Sciences, Baptist University of Hong Kong, Kowloon Tong, Kowloon (Hong Kong)

    2010-02-15

    Effects of wastewater discharge on radial oxygen loss (ROL), formation of iron (Fe) plaque on root surface, and their correlations in Bruguiera gymnorrhiza (L.) Poir and Excoecaria agallocha L. were investigated. ROL along a lateral root increased more rapidly in control than that in strong wastewater (with pollutant concentrations ten times of that in municipal sewage, 10NW) treatment, but less Fe plaque was formed in control for both plants. For B. gymnorrhiza receiving 10NW, Fe plaque formation was more at basal and mature zones than at root tip, while opposite trend was shown in E. agallocha. At day 0, the correlation between ROL and Fe plaque was insignificant, but negative and positive correlations were found in 10NW and control, respectively, at day 105, suggesting that more ROL was induced leading to more Fe plaque. However, excess Fe plaque also served as a 'barrier' to prevent excessive ROL in 10NW plants. - Correlation between Fe plaque formation and ROL.

  8. Study of gold-platinum and platinum-gold surface modification and its influence on hydrogen evolution and oxygen reduction

    Directory of Open Access Journals (Sweden)

    BRANIMIR N. GRGUR

    2005-02-01

    Full Text Available Surface modification of the electrodes was conducted from sulfuric acid solutions containing the corresponding metal–chloride complexes using cyclic voltammetry. Comparing the charges of the hydrogen underpotential deposition region, and the corresponding oxide reduction regions, it is concluded that a platinum overlayer on gold forms 3D islands, while gold on platinum forms 2D islands. Foreign metals present in an amount of up to one monolayer exert an influence on the change in reaction rate with respect to both hydrogen evolution (HER and oxygen reduction (ORR reactions. Aplatinum overlayer on a gold substrate increases the activity forHER and for ORR, compared with pure gold. These results can be understood in terms of a simple model, in which the change in the H and OH binding energies are directly proportional to the shift of the d-bond center of the overlayer. On the contrary, a gold layer on platinum slightly decreases the activity for both reactions compared with pure platinum.

  9. Role of oxygen adsorption in modification of optical and surface electronic properties of MoS2

    Science.gov (United States)

    Shakya, Jyoti; Kumar, Sanjeev; Mohanty, Tanuja

    2018-04-01

    In this work, the effect of surface oxidation of molybdenum disulfide (MoS2) nanosheets induced by hydrogen peroxide (H2O2) on the work function and bandgap of MoS2 has been investigated for tuning its optical and electronic properties. Transmission electron microscopy studies reveal the existence of varying morphologies of few layers of MoS2 as well as quantum dots due to the different absorbing effects of two mixed solvents on MoS2. The X-ray diffraction, electron paramagnetic resonance, and Raman studies indicate the presence of physical as well as chemical adsorption of oxygen atoms in MoS2. The photoluminescence spectra show the tuning of bandgap arising from the passivation of trapping centers leading to radiative recombination of excitons. The value of work function obtained from scanning Kelvin probe microscopy of MoS2 in mixed solvents of H2O2 and N-methyl-2-pyrrolidone increases with an increase in the concentration of H2O2. A linear relationship could be established between H2O2 content in mixed solvent and measured values of work function. This work gives the alternative route towards the commercial use of defect engineered transition metal dichalcogenide materials in diverse fields.

  10. Preparation of reactive oxygen scavenging peptides from tilapia (Oreochromis niloticus) skin gelatin: optimization using response surface methodology.

    Science.gov (United States)

    Zhuang, Yongliang; Sun, Liping

    2011-04-01

    Gelatin extracted from tilapia skin was hydrolyzed with Properase E. Response surface methodology (RSM) was applied to optimize the hydrolysis condition (temperature [T], enzyme-to-substrate ratio [E/S], pH and reaction time [t]), to obtain the hydrolysate with the highest hydroxyl radical (•OH) scavenging activity. The optimum conditions obtained were T of 44.2 °C, E/S of 2.2%, pH of 9.2, and t of 3.4 h. The predicted •OH scavenging activity of the hydrolysate under the optimum conditions was 60.7%, and the actually experimental scavenging activity was 60.8%. The hydrolysate was fractionated by ultrafiltration, and 4 fractions were collected. The fraction TSGH4 (MW<2000 Da) showed the strongest •OH scavenging activity with the highest yield. Furthermore, reactive oxygen species (ROS) scavenging activities of TSGH4 with different concentrations were investigated in 5 model systems, including superoxide anion radical (•O2), •OH, hydrogen peroxide (H2O2), peroxynitrite (ONOO-), and nitric oxide (NO•), compared with reduced glutathione (GSH). The results showed that TSGH4 significantly scavenged these ROS, and could be used as a functional ingredient in medicine and food industries.

  11. Effects of Carbon Structure and Surface Oxygen on the Carbon's Performance as the Anode in Lithium-Ion Battery Determined

    Science.gov (United States)

    Hung, Ching-Cheh

    2000-01-01

    Four carbon materials (C1, C2, C3, and C4) were tested electrochemically at the NASA Glenn Research Center at Lewis Field to determine their performance in lithium-ion batteries. They were formed as shown in the figure. This process caused very little carbon loss. Products C1 and C3 contained very little oxygen because of the final overnight heating at 540 C. Products C2 and C4, on the other hand, contained small amounts of basic oxide. The electrochemical test involved cycles of lithium intercalation and deintercalation using C/saturated LiI-50/50 (vol %) ethylene carbonate (EC) and dimethyl carbonate (DMC)/Li half cell. The cycling test, which is summarized in the table, resulted in three major conclusions. The capacity of the carbon with a basic oxide surface converges to a constant 1. value quickly (within 4 cycles), possibly because the oxide prevents solvent from entering the carbon structure and, therefore, prolongs the carbon s cycle life. Under certain conditions, the disordered carbon can store more lithium than its 2. precursor. These samples and their precursor can intercalate at 200 mA/g and deintercalate at 3. a rate of 2000 mA/g without significant capacity loss.

  12. Documentation for The Group for High Resolution Sea Surface Temperature (GHRSST) data archived at NCEI (NCEI Accession 0123222)

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — The Group for High Resolution Sea Surface Temperature (GHRSST) is an international open group for SST data producers, users, and scientists. It brings together...

  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. Control of Surface Functional Groups on Pertechntate Sorption on Activated Carbon

    Energy Technology Data Exchange (ETDEWEB)

    Y. Wang; H. Gao; R. Yeredla; H. Xu; M. Abrecht; G.D. Stasio

    2006-07-05

    {sup 99}Tc is highly soluble and poorly adsorbed by natural materials under oxidizing conditions, thus being of particular concern for radioactive waste disposal. Activated carbon can potentially be used as an adsorbent for removing Tc from aqueous solutions. We have tested six commercial activated carbon materials for their capabilities for sorption of pertechnetate (TcO{sub 4}{sup -}). The tested materials can be grouped into two distinct types: Type I materials have high sorption capabilities with the distribution coefficients (K{sub d}) varying from 9.5 x 10{sup 5} to 3.2 x 10{sup 3} mL/g as the pH changes from 4.5 to 9.5, whereas type II materials have relatively low sorption capabilities with K{sub d} remaining more or less constant (1.1 x 10{sup 3} - 1.8 x 10{sup 3} mL/g) over a similar pH range. The difference in sorption behavior between the two types of materials is attributed to the distribution of surface functional groups. The predominant surface groups are identified to be carboxylic and phenolic groups. The carboxylic group can be further divided into three subgroups A, B, and C in the order of increasing acidity. The high sorption capabilities of type I materials are found to be caused by the presence of a large fraction of carboxylic subgroups A and B, while the low sorption capabilities of type II materials are due to the exclusive presence of phenolic and carboxylic subgroup C. Therefore, the performance of activated carbon for removing TcO{sub 4}{sup -} can be improved by enhancing the formation of carboxylic subgroups A and B during material processing.

  15. The influence of oxygen exposure time on the composition of macromolecular organic matter as revealed by surface sediments on the Murray Ridge (Arabian Sea)

    Science.gov (United States)

    Nierop, Klaas G. J.; Reichart, Gert-Jan; Veld, Harry; Sinninghe Damsté, Jaap S.

    2017-06-01

    The Arabian Sea represents a prime example of an open ocean extended oxygen minimum zone (OMZ) with low oxygen concentrations (down to less than 2 μM) between 200 and 1000 m water depth. The OMZ impinges on the ocean floor, affecting organic matter (OM) mineralization. We investigated impact of oxygen depletion on the composition of macromolecular OM (MOM) along a transect through the OMZ on the slopes of the Murray Ridge. This sub-marine high in the northern Arabian Sea, with the top at approximately 500 m below sea surface (mbss), intersects the OMZ. We analyzed sediments deposited in the core of OMZ (suboxic conditions), directly below the OMZ (dysoxic conditions) and well below the OMZ (fully oxic conditions). The upper 18 cm of sediments from three stations recovered at different depths were studied. MOM was investigated by Rock Eval and flash pyrolysis techniques. The MOM was of a predominant marine origin and inferred from their pyrolysis products, most biomolecules (tetra-alkylpyrrole pigments, polysaccharides, proteins and their transformation products, and polyphenols including phlorotannins), showed a progressive relative degradation with increasing exposure to oxygen. Alkylbenzenes and, in particular, aliphatic macromolecules increased relatively. The observed differences in MOM composition between sediment deposited under various bottom water oxygen conditions (i.e. in terms of concentration and exposure time) was much larger than within sediment cores, implying that early diagenetic alteration of organic matter depends largely on bottom water oxygenation rather than subsequent anaerobic degradation within the sediments, even at longer time scales.

  16. Impact of the structural anisotropy of La2NiO4+δ on on high temperature surface modifications and diffusion of oxygen

    International Nuclear Information System (INIS)

    Gauquelin, Nicolas

    2010-01-01

    La 2 NiO 4+δ was first studied due to its structural similarities with the High Temperature superconductor La 2 NiO 4+δ and more recently due to its promise as a cathode material in Solid Oxide Fuel Cells as well as an oxygen exchange membrane. It crystallizes in the K 2 NiF 4 layered structure and accommodates highly mobile oxygen at its ground state and is therefore overstoichiometric. During this thesis, pure single crystals of La 2 NiO 4+δ were successfully grown using the floating-zone method, subsequently characterized using neutron and Laue Backscattering diffraction and oriented pieces of single crystal with [100] and [001] orientation were prepared. The surface morphology behavior after long term exposure to high temperature in different atmospheres was observed using microscopy techniques because stability at high temperature is required for application purposes and it was discovered a structural change to nickel-rich phases at T>1173 K. The sensibility of the oxygen non-stoichiometry to cooling was studied and subsequently a new 18 O- 18 O exchange apparatus allowing quenching of the samples using liquid nitrogen was developed. Oxygen selfdiffusion was studied using SIMS in the range 673-873K in both [100] and [001] crystallographic directions. The effect of the disorientation of the sample surface on the determination of the slowest diffusion coefficient was discovered and revealed the very strong anisotropy (>5 orders of magnitude difference) between the different diffusion paths. Finally using HTXRD and oxygen release experiments, it was shown that oxygen diffusion from interstitial oxygen starts to be relevant at 550-600 K and a change of behavior is observed around 700 K, corresponding to a possible change in the diffusion mechanism from interstitial to interstitialcy.

  17. Impact of the structural anisotropy of La{sub 2}NiO{sub 4+δ} on on high temperature surface modifications and diffusion of oxygen

    Energy Technology Data Exchange (ETDEWEB)

    Gauquelin, Nicolas

    2010-11-29

    La{sub 2}NiO{sub 4+δ} was first studied due to its structural similarities with the High Temperature superconductor La{sub 2}NiO{sub 4+δ} and more recently due to its promise as a cathode material in Solid Oxide Fuel Cells as well as an oxygen exchange membrane. It crystallizes in the K{sub 2}NiF{sub 4} layered structure and accommodates highly mobile oxygen at its ground state and is therefore overstoichiometric. During this thesis, pure single crystals of La{sub 2}NiO{sub 4+δ} were successfully grown using the floating-zone method, subsequently characterized using neutron and Laue Backscattering diffraction and oriented pieces of single crystal with [100] and [001] orientation were prepared. The surface morphology behavior after long term exposure to high temperature in different atmospheres was observed using microscopy techniques because stability at high temperature is required for application purposes and it was discovered a structural change to nickel-rich phases at T>1173 K. The sensibility of the oxygen non-stoichiometry to cooling was studied and subsequently a new {sup 18}O-{sup 18}O exchange apparatus allowing quenching of the samples using liquid nitrogen was developed. Oxygen selfdiffusion was studied using SIMS in the range 673-873K in both [100] and [001] crystallographic directions. The effect of the disorientation of the sample surface on the determination of the slowest diffusion coefficient was discovered and revealed the very strong anisotropy (>5 orders of magnitude difference) between the different diffusion paths. Finally using HTXRD and oxygen release experiments, it was shown that oxygen diffusion from interstitial oxygen starts to be relevant at 550-600 K and a change of behavior is observed around 700 K, corresponding to a possible change in the diffusion mechanism from interstitial to interstitialcy.

  18. In vitro study of 3D PLGA/n-HAp/β-TCP composite scaffolds with etched oxygen plasma surface modification in bone tissue engineering

    Energy Technology Data Exchange (ETDEWEB)

    Roh, Hee-Sang [Department of Dental Materials, School of Dentistry, Chosun University, 309 Pilmun-daero, Dong-gu, Gwangju 61452 (Korea, Republic of); Jung, Sang-Chul [Department of Environmental Engineering, Sunchon National University, 255 Jungang-ro, Sunchon 57922 (Korea, Republic of); Kook, Min-Suk [Department of Oral and Maxillofacial Surgery, School of Dentistry, Chonnam National University, 77 Yongbong-ro, Buk-gu, Gwangju 61186 (Korea, Republic of); Kim, Byung-Hoon, E-mail: kim5055@chosun.ac.kr [Department of Dental Materials, School of Dentistry, Chosun University, 309 Pilmun-daero, Dong-gu, Gwangju 61452 (Korea, Republic of)

    2016-12-01

    Highlights: • PLGA and PLGA/n-HAp/β-TCP scaffolds were successfully fabricated by 3D printing. • Oxygen plasma etching increases the wettability and surface roughness. • Bioceramics and oxygen plasma etching and could be used to improve the cell affinity. - Abstract: Three-dimensional (3D) scaffolds have many advantageous properties for bone tissue engineering application, due to its controllable properties such as pore size, structural shape and interconnectivity. In this study, effects on oxygen plasma surface modification and adding of nano-hydroxyapatite (n-HAp) and β-tricalcium phosphate (β-TCP) on the 3D PLGA/n-HAp/β-TCP scaffolds for improving preosteoblast cell (MC3T3-E1) adhesion, proliferation and differentiation were investigated. The 3D PLGA/n-HAp/β-TCP scaffolds were fabricated by 3D Bio-Extruder equipment. The 3D scaffolds were prepared with 0°/90° architecture and pore size of approximately 300 μm. In addition 3D scaffolds surface were etched by oxygen plasma to enhance the hydrophilic property and surface roughness. After oxygen plasma treatment, the surface chemistry and morphology were investigated by Fourier transform infrared spectroscopy, scanning electron microscopy, and atomic force microscopy. And also hydrophilic property was measured by contact angle. The MC3T3-E1 cell proliferation and differentiation were investigated by MTT assay and ALP activity. In present work, the 3D PLGA/HAp/beta-TCP composite scaffold with suitable structure for the growth of osteoblast cells was successfully fabricated by 3D rapid prototyping technique. The surface hydrophilicity and roughness of 3D scaffold increased by oxygen plasma treatment had a positive effect on cell adhesion, proliferation, and differentiation. Furthermore, the differentiation of MC3T3-E1 cell was significantly enhanced by adding of n-HAp and β-TCP on 3D PLGA scaffold. As a result, combination of bioceramics and oxygen plasma treatment showed a synergistic effect on

  19. Operable Unit 3-13, Group 3, Other Surface Soils (Phase II) Field Sampling Plan

    Energy Technology Data Exchange (ETDEWEB)

    G. L. Schwendiman

    2006-07-27

    This Field Sampling Plan describes the Operable Unit 3-13, Group 3, Other Surface Soils, Phase II remediation field sampling activities to be performed at the Idaho Nuclear Technology and Engineering Center located within the Idaho National Laboratory Site. Sampling activities described in this plan support characterization sampling of new sites, real-time soil spectroscopy during excavation, and confirmation sampling that verifies that the remedial action objectives and remediation goals presented in the Final Record of Decision for Idaho Nuclear Technology and Engineering Center, Operable Unit 3-13 have been met.

  20. Interplay of nonlocal response, damping, and low group velocity in surface-plasmon polaritons

    DEFF Research Database (Denmark)

    Raza, Søren; Mortensen, N. Asger

    2016-01-01

    The miniaturization of metal structures down to the nanoscale has been accompanied with several recent studies demonstrating plasmonic effects not explainable by classical electromagnetic theory. Describing the optical properties of materials solely through the bulk dielectric function has been...... augmented with quantum mechanical corrections, such as the electron spill-out effect and nonlocal response. Here, we discuss the latter and its implications on the waveguiding characteristics, such as dispersion and group velocity, of the surface-plasmon polariton mode supported at a metal-air interface....

  1. Interplay of nonlocal response, damping, and low group velocity in surface-plasmon polaritons

    Science.gov (United States)

    Raza, Søren; Mortensen, N. Asger

    2016-03-01

    The miniaturization of metal structures down to the nanoscale has been accompanied with several recent studies demonstrating plasmonic effects not explainable by classical electromagnetic theory. Describing the optical properties of materials solely through the bulk dielectric function has been augmented with quantum mechanical corrections, such as the electron spill-out effect and nonlocal response. Here, we discuss the latter and its implications on the waveguiding characteristics, such as dispersion and group velocity, of the surface-plasmon polariton mode supported at a metal-air interface.

  2. Promotional effects of chemisorbed oxygen and hydroxide in the activation of C-H and O-H bonds over transition metal surfaces

    Science.gov (United States)

    Hibbitts, David; Neurock, Matthew

    2016-08-01

    Electronegative coadsorbates such as atomic oxygen (O*) and hydroxide (OH*) can act as Brønsted bases when bound to Group 11 as well as particular Group 8-10 metal surfaces and aid in the activation of X-H bonds. First-principle density functional theory calculations were carried out to systematically explore the reactivity of the C-H bonds of methane and surface methyl intermediates as well as the O-H bond of methanol directly and with the assistance of coadsorbed O* and OH* intermediates over Group 11 (Cu, Ag, and Au) and Group 8-10 transition metal (Ru, Rh, Pd, Os, Ir, and Pt) surfaces. C-H as well as O-H bond activation over the metal proceeds via a classic oxidative addition type mechanism involving the insertion of the metal center into the C-H or O-H bond. O* and OH* assist C-H and O-H activation over particular Group 11 and Group 8-10 metal surfaces via a σ-bond metathesis type mechanism involving the oxidative addition of the C-H or O-H bond to the metal along with a reductive deprotonation of the acidic C-H and O-H bond over the M-O* or M-OH* site pair. The O*- and OH*-assisted C-H activation paths are energetically preferred over the direct metal catalyzed C-H scission for all Group 11 metals (Cu, Ag, and Au) with barriers that are 0.4-1.5 eV lower than those for the unassisted routes. The barriers for O*- and OH*-assisted C-H activation of CH4 on the Group 8-10 transition metals, however, are higher than those over the bare transition metal surfaces by as much as 1.4 eV. The C-H activation of adsorbed methyl species show very similar trends to those for CH4 despite the differences in structure between the weakly bound methane and the covalently adsorbed methyl intermediates. The activation of the O-H bond of methanol is significantly promoted by O* as well as OH* intermediates over both the Group 11 metals (Cu, Ag, and Au) as well as on all Group 8-10 metals studied (Ru, Rh, Pd, Os, Ir, and Pt). The O*- and OH*-assisted CH3O-H barriers are 0.6 to 2

  3. Enhancing the efficiency of lithium intercalation in carbon nanotube bundles using surface functional groups.

    Science.gov (United States)

    Xiao, Shiyan; Zhu, Hong; Wang, Lei; Chen, Liping; Liang, Haojun

    2014-08-14

    The effect of surface functionalization on the ability and kinetics of lithium intercalation in carbon nanotube (CNT) bundles has been studied by comparing the dynamical behaviors of lithium (Li) ions in pristine and -NH2 functionalized CNTs via ab initio molecular dynamics simulations. It was observed that lithium intercalation has been achieved quickly for both the pristine and surface functionalized CNT bundle. Our calculations demonstrated for the first time that CNT functionalization improved the efficiency of lithium intercalation significantly at both low and high Li ion density. Moreover, we found that keeping the nanotubes apart with an appropriate distance and charging the battery at a rational rate were beneficial to achieve a high rate of lithium intercalation. Besides, the calculated adsorption energy curves indicated that the potential wells in the system of -NH2 functionalized CNT were deeper than that of the pristine CNT bundle by 0.74 eV, and a third energy minimum with a value of 2.64 eV existed at the midpoint of the central axis of the nanotube. Thus, it would be more difficult to remove Li ions from the nanotube interior after surface functionalization. The barrier for lithium diffusion in the interior of the nanotube is greatly decreased because of the surface functional groups. Based on these results, we would suggest to "damage" the nanotube by introducing defects at its sidewall in order to improve not only the capacity of surface functionalized CNTs but also the efficiency of lithium intercalation and deintercalation processes. Our results presented here are helpful in understanding the mechanism of lithium intercalation into nanotube bundles, which may potentially be applied in the development of CNT based electrodes.

  4. Pathway and Surface Mechanism Studies of 1,3-butadiene Selective Oxidation Over Vanadium-Molybdenum-Oxygen Catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Schroeder, William David [Iowa State Univ., Ames, IA (United States)

    2001-01-01

    The partial oxidation of 1,3-butadiene has been investigated over VMoO catalysts synthesized by sol-gel techniques. Surface areas were 9-14 m2/g, and compositions were within the solid solution regime, i.e. below 15.0 mol % MoO3/(MoO3 + V2O5). Laser Raman Spectroscopy and XRD data indicated that solid solutions were formed, and pre- and post-reaction XPS data indicated that catalyst surfaces contained some V+4 and were further reduced in 1,3-butadiene oxidation. A reaction pathway for 1,3-butadiene partial oxidation to maleic anhydride was shown to involve intermediates such as 3,4-epoxy-1-butene, crotonaldehyde, furan, and 2-butene-1,4-dial. The addition of water to the reaction stream substantially increased catalyst activity and improved selectivity to crotonaldehyde and furan at specific reaction temperatures. At higher water addition concentrations, furan selectivity increased from 12% to over 25%. The catalytic effects of water addition were related to competitive adsorption with various V2O5-based surface sites, including the vanadyl V=O, corner sharing V-O-V and edge sharing V-O oxygen. Higher levels of water addition were proposed to impose acidic character by dissociative adsorption. In addition, a novel combinatorial synthesis technique for VMoO was used to investigate the phase transitions of V2O5, solid solutions of Mo in V2O5, V9Mo6O40, and other reduced VMoO compounds, characterized by laser Raman spectroscopy. The natural composition gradient imposed by the sputter deposition apparatus was used to create VMoO arrays containing 225 samples ranging from 7.0-42 mol% MoO3/(V2O5 + MoO3), determined by EDS analysis.

  5. Effect of Adsorption on Ice Surfaces on the Composition of Enceladus' Plumes: Partitioning of Oxygen-Bearing Organics

    Science.gov (United States)

    Bouquet, A.; Teolis, B. D.; Waite, J. H., Jr.

    2017-12-01

    Introduction: The plumes of Enceladus offer an opportunity to access a sample of water from its internal ocean. However, to gain valuable insights into the ocean's composition, it is necessary to take into account any possible process that would alter the mixture between the water table and the geysers. The adsorption of refractory compounds on the ice walls in the vents could partition them depending on their properties. Evaluating the effect of this fractionation is critical in anticipating which organics could be detected by a future mission. Models: We used a model using the temkin isotherm and published experimental desorption energies for our compounds of interest. The model calculates how the coverage of an ice surface exposed to the flow can evolve with time and what is the final composition of the adsorbed mixture is. The model considers the ice walls and the ice grains, as the latter have the potential to gather the most sticky compounds and put them within reach of sampling by a spacecraft. Our list of species included formaldehyde, methanol, acetic acid, formic acid, ethanol, butanol, benzene and hexanal.Results: We found that simple hydrocarbons have a very short residence time on ice, and are expected to stay in gas phase. Oxygen-bearing organic compounds, though, stick to the ice and will be concentrated on the walls and ice grains, with the exception of formaldehyde. With the species listed above originally in equal abundance in gas phase, we found the ice surface to hold mostly formic acid, acetic acid and butanol, with a small amount of ethanol and hexanal. The high number of collisions in the closed space of a 1 meter wide vent allows for a gas/adsorbed equilibration within a second. Way forward: The possible impact of ammonia, detected in the plumes, is unknown. Ammonia can accumulate on the ice surface and influence adsorption of other species, and potentially create a liquid layer by depressing the freezing point of water. The impact of these

  6. Holomorphic representation of constant mean curvature surfaces in Minkowski space: Consequences of non-compactness in loop group methods

    DEFF Research Database (Denmark)

    Brander, David; Rossman, Wayne; Schmitt, Nicholas

    2010-01-01

    We give an infinite dimensional generalized Weierstrass representation for spacelike constant mean curvature (CMC) surfaces in Minkowski 3-space $\\R^{2,1}$. The formulation is analogous to that given by Dorfmeister, Pedit and Wu for CMC surfaces in Euclidean space, replacing the group $SU_2...... symmetry, as well as studying another class of surfaces for which the metric is rotationally invariant....

  7. Influence of deuterium on kinetics of methane isotope exchange with surface deuteroxy groups of Pt/SiO2 catalysts

    International Nuclear Information System (INIS)

    Musoyan, L.M.; Aliev, R.K.

    1990-01-01

    Reaction of isotope methane exchange with surface deuteroxy groups of 2 % Pt/SiO 2 catalyst was studied. It is shown that preliminarily chemisorbed deuterium does not decelerate the exchange reaction, but changes its mechanism. Activation energy of exchange on clean surface is equal to 25 kJ/mol; it grows in the presence of deuterium on the surface

  8. Estimating the vapor pressures of multi-functional oxygen-containing organic compounds using group contribution methods

    Science.gov (United States)

    Asher, William E.; Pankow, James F.; Erdakos, Garnet B.; Seinfeld, John H.

    A UNIFAC-based method for estimating the vapor pressure ( pLo) values of oxygen-containing compounds of intermediate-to-low volatility has been developed as an aid in modeling the formation and behavior of organic aerosols. This UNIFAC- pLo method was constructed using a set of 76 compounds with experimentally determined pLo values. The compounds chosen are of intermediate-to-low volatility and contain multiple oxygen-containing functionalities. For test and development purposes, the 76 compounds were divided into a basis set of 43 compounds used to generate the coefficients required in the UNIFAC- pLo method and a second set of 33 compounds that was used to test the coefficients generated using the basis set. Both the basis and test sets contained compounds that possessed similar structures and functionalities. For the 33 compounds in the test set, on average UNIFAC- pLo predicted the pLo values to within a factor of 2 over the temperature range 290-320 K. Furthermore, the UNIFAC- pLo method did not show any correlation in prediction error with pLo so that it was equally likely to underpredict as overpredict pLo regardless of volatility. For comparison, three other vapor pressure estimation methods were applied to the test set of compounds. On average, these other methods all predicted the test set pLo values to within a factor of 3 over the temperature range 290-320 K. In contrast to the UNIFAC- pLo method, the prediction errors from the methods were found to be correlated with pLo so that the other methods overpredicted pLo as volatility decreased.

  9. Modified PAMAM dendrimer with 4-carbomethoxypyrrolidone surface groups reveals negligible toxicity against three rodent cell-lines

    DEFF Research Database (Denmark)

    Janaszewska, Anna; Ciolkowski, Michal; Wróbel, Dominika

    2013-01-01

    Modification of the surface groups of dendrimers is one of the methods to improve their biocompatibility. This article presents results of experiments related to the toxicity of a modified polyamidoamine (PAMAM) dendrimer of the fourth generation with 4-carbomethoxypyrrolidone surface groups (PAM...

  10. Molecular simulation of CO2/CH4 adsorption in brown coal: Effect of oxygen-, nitrogen-, and sulfur-containing functional groups

    Science.gov (United States)

    Dang, Yong; Zhao, Lianming; Lu, Xiaoqing; Xu, Jing; Sang, Pengpeng; Guo, Sheng; Zhu, Houyu; Guo, Wenyue

    2017-11-01

    The CO2/CH4 adsorption behaviors in brown coal at the temperatures of 298, 313, and 373 K and in the pressure range of 0.005-10 MPa were investigated by molecular dynamics (MD), density functional theory (DFT), and grand canonical Monte Carlo (GCMC) simulations. The absolute adsorption isotherms of single-component CH4 and CO2 exhibit type-I Langmuir adsorption behavior showing a negative influence of temperature. For the binary CO2/CH4 mixture, brown coal shows super high selectivity of CO2 over CH4 at pressures below 0.2 MPa, which then decreases quickly and finally tends to be constant when the pressure increases. The high competitive adsorption of CO2 originates from the effects of (i) the large electrostatic contributions, (ii) the conducive micropore environment with pore sizes below 0.56 nm, and (iii) the stronger adsorption of CO2 with respect to CH4. These effects are strengthened by the high-density oxygen-containing, pyridine, and thiophene functional groups contained in brown coal, which provide abundant and strong adsorption sites for CO2, but show weaker affinity to CH4. Furthermore, the influence of various nitrogen- and sulfur-containing functional groups on the CO2 adsorption capacity was also investigated. The results indicate that the basicity of the oxygen- and nitrogen-containing groups has a large influence on the CO2 adsorption, while for the sulfur functional groups the determining factor is the polarity.

  11. Alternative splicing of a group II intron in a surface layer protein gene in Clostridium tetani.

    Science.gov (United States)

    McNeil, Bonnie A; Simon, Dawn M; Zimmerly, Steven

    2014-02-01

    Group II introns are ribozymes and retroelements found in bacteria, and are thought to have been the ancestors of nuclear pre-mRNA introns. Whereas nuclear introns undergo prolific alternative splicing in some species, group II introns are not known to carry out equivalent reactions. Here we report a group II intron in the human pathogen Clostridium tetani, which undergoes four alternative splicing reactions in vivo. Together with unspliced transcript, five mRNAs are produced, each encoding a distinct surface layer protein isoform. Correct fusion of exon reading frames requires a shifted 5' splice site located 8 nt upstream of the canonical boundary motif. The shifted junction is accomplished by an altered IBS1-EBS1 pairing between the intron and 5' exon. Growth of C. tetani under a variety of conditions did not result in large changes in alternative splicing levels, raising the possibility that alternative splicing is constitutive. This work demonstrates a novel type of gene organization and regulation in bacteria, and provides an additional parallel between group II and nuclear pre-mRNA introns.

  12. Hyphal responses of Neurospora crassa to micron-sized beads with functional chemical surface groups

    Science.gov (United States)

    Held, Marie; Edwards, Clive; Nicolau, Dan V.

    2011-02-01

    Filamentous fungi include serious plant and animal pathogens that explore their environment efficiently in order to penetrate the host. This environment is physically and chemically heterogeneous and the fungi rely on specific physical and chemical signals to find the optimal point/s of attack. This study presents a methodology to introduce distinct structures with dimensions similar to the hyphal diameter and specific chemical surface groups into a controllable environment in order to study the fungal response. We introduced 3.3 μm polystyrene beads covered with Epoxy surface groups into microfluidic channels made from PDMS by rapid replica molding. The experimental setup resulted in different areas with low and high densities of beads as well as densely packed patches. The observations of the fungus exploring the areas long-term showed that the growth parameters were altered significantly, compared with the values measured on agar. The fungus responded to both, the physical and chemical parameters of the beads, including temporary directional changes, increased branching angles, decreased branching distances, decreased apical extension velocities and occasional cell wall lysis. The wealth and magnitude of the observed responses indicates that the microfluidic structures provide a powerful platform for the investigation of micron-sized features on filamentous fungi.

  13. Geochemistry and oxygen isotope composition of main-group pallasites and olivine-rich clasts in mesosiderites

    DEFF Research Database (Denmark)

    Greenwood, Richard C.; Barrat, Jean-Alix; Scott, Edward R. D.

    2015-01-01

    resolved from the HED Δ17O value of -0.246 ± 0.014 (2σ) obtained in our earlier study and demonstrates that both groups represent distinct populations and were derived from separate parent bodies. Our results show no evidence for Δ17O bimodality within themain-group pallasites, as suggested by a number...

  14. Gold nanoparticles as markers for fluorinated surfaces containing embedded amide groups

    Science.gov (United States)

    Ballarin, Barbara; Barreca, Davide; Bertola, Maurizio; Cristina Cassani, Maria; Carraro, Giorgio; Maccato, Chiara; Mignani, Adriana; Nanni, Daniele; Parise, Chiara; Ranieri, Silvia

    2018-05-01

    Indium tin oxide (ITO) substrates were functionalized with fluoroalkylsilanes (FAS) having formula RFC(O)N(R)(CH2)3Si(OMe)3 (1, R = H, RF = C5F11; 2, R = CH3, RF = C5F11;3, R = H, RF = C3F7) and containing embedded amide moieties between the perfluoroalkyl chain and the syloxanic moiety. Subsequently, Au nanoparticle deposition (AuNP) onto the ITO-FAS functionalized surfaces was carried out by immersion into a solution of citrate-stabilized AuNP. The ITO-FAS and AuNP/ITO-FAS modified systems were characterized by various complementary techniques and compared with AuNP/ITO modified with RF(CH2)2Si(OEt)3 (4, RF = C6F13), free from functional groups between the fluorinated tail and the syloxanic moiety. The results showed that only ITO glasses modified with 1, 2 and 3 displayed an oleophobic, as well as hydrophobic, behaviour and that the AuNP Surface Coverage (SC %) directly depended on the fluoroalkylsilane nature with the following trend: 60% ITO-2 > 16% ITO-3 > 9% ITO-1 > 3% ITO-4. The obtained results revealed that, in organosilane 2, the presence of a methyl group on the amide nitrogen increases the steric hindrance in the rotation around the Nsbnd CO bond, resulting in the co-presence of two stable conformers in comparable amounts. Their co-presence in solution, combined with the lack of intermolecular Nsbnd H⋯OCsbnd N hydrogen bonds among the anchored molecules, has dramatic influences on the functionalized ITO, yielding a disorderedly packed coating able to accommodate a large quantity of AuNP. These results indicate that AuNP can act as excellent probes to evaluate the coating layer quality but, at the same time, it is possible to tune the gold loading on electroactive surfaces depending on the chemical structure of the used fluorinated silane.

  15. Effect of the functional groups of carbon on the surface and catalytic properties of Ru/C catalysts for hydrogenolysis of glycerol

    International Nuclear Information System (INIS)

    Gallegos-Suarez, E.; Pérez-Cadenas, M.; Guerrero-Ruiz, A.; Rodriguez-Ramos, I.; Arcoya, A.

    2013-01-01

    Ruthenium catalysts supported on activated carbons, original (AC) and treated with nitric acid (AC-Ox) were prepared by incipient wetness impregnation from either chloride (Cl) or nitroxyl nitrate (n) precursors. These catalysts were characterized by TG, XPS, TEM, TPD-MS and CO adsorption microcalorimetry and evaluated in the hydrogenolysis of glycerol in the liquid phase, at 453 K and 8 MPa. Studies by TEM show that ruthenium particles supported on AC-Ox are larger than on AC, without any effect of the nature of the metal precursor. However, adsorption of CO on the ex-chloride catalysts is inhibited in comparison with that of the ex-nitroxyl nitrate catalysts. Catalysts characterization by TG, TPD-MS and XPS reveals that the nitric acid treatment and the nitroxyl nitrate precursor generate oxygenated groups on the carbon surface, which provide acid properties to the catalysts, although they are partly destroyed during the reduction treatment applied to the catalysts. The sequence of the overall TOF, Ru(Cl)/AC < Ru(n)/AC < Ru(Cl)/AC-Ox ≈ Ru(n)/AC-Ox, reasonably parallels the population increase of surface acid groups. Participation of the -COOH groups in the transformation of glycerol into 1,2-propanediol is verified by using the admixture Ru(Cl)/AC+AC-Ox as catalyst. In this case, since AC-Ox was not thermally treated and no loss of oxygenated groups occurred, TOF and selectivity toward 1,2-propanediol improve in comparison with those of the more active catalysts.

  16. Effect of the functional groups of carbon on the surface and catalytic properties of Ru/C catalysts for hydrogenolysis of glycerol

    Energy Technology Data Exchange (ETDEWEB)

    Gallegos-Suarez, E. [Departamento de Química Inorgánica y Técnica, Facultad de Ciencias, UNED, Paseo Senda del Rey n° 9, 28040 Madrid (Spain); Instituto de Catálisis y Petroleoquímica, CSIC, Marie Curie n° 2, L-10, 28049 Madrid (Spain); Pérez-Cadenas, M. [Instituto de Catálisis y Petroleoquímica, CSIC, Marie Curie n° 2, L-10, 28049 Madrid (Spain); Guerrero-Ruiz, A. [Instituto de Catálisis y Petroleoquímica, CSIC, Marie Curie n° 2, L-10, 28049 Madrid (Spain); Unidad Asociada UNED ICP-CSIC, Group Design and Applied Heterogeneous Catalysis (Spain); Rodriguez-Ramos, I. [Departamento de Química Inorgánica y Técnica, Facultad de Ciencias, UNED, Paseo Senda del Rey n° 9, 28040 Madrid (Spain); Unidad Asociada UNED ICP-CSIC, Group Design and Applied Heterogeneous Catalysis (Spain); Arcoya, A., E-mail: aarcoya@icp.csic.es [Departamento de Química Inorgánica y Técnica, Facultad de Ciencias, UNED, Paseo Senda del Rey n° 9, 28040 Madrid (Spain); Unidad Asociada UNED ICP-CSIC, Group Design and Applied Heterogeneous Catalysis (Spain)

    2013-12-15

    Ruthenium catalysts supported on activated carbons, original (AC) and treated with nitric acid (AC-Ox) were prepared by incipient wetness impregnation from either chloride (Cl) or nitroxyl nitrate (n) precursors. These catalysts were characterized by TG, XPS, TEM, TPD-MS and CO adsorption microcalorimetry and evaluated in the hydrogenolysis of glycerol in the liquid phase, at 453 K and 8 MPa. Studies by TEM show that ruthenium particles supported on AC-Ox are larger than on AC, without any effect of the nature of the metal precursor. However, adsorption of CO on the ex-chloride catalysts is inhibited in comparison with that of the ex-nitroxyl nitrate catalysts. Catalysts characterization by TG, TPD-MS and XPS reveals that the nitric acid treatment and the nitroxyl nitrate precursor generate oxygenated groups on the carbon surface, which provide acid properties to the catalysts, although they are partly destroyed during the reduction treatment applied to the catalysts. The sequence of the overall TOF, Ru(Cl)/AC < Ru(n)/AC < Ru(Cl)/AC-Ox ≈ Ru(n)/AC-Ox, reasonably parallels the population increase of surface acid groups. Participation of the -COOH groups in the transformation of glycerol into 1,2-propanediol is verified by using the admixture Ru(Cl)/AC+AC-Ox as catalyst. In this case, since AC-Ox was not thermally treated and no loss of oxygenated groups occurred, TOF and selectivity toward 1,2-propanediol improve in comparison with those of the more active catalysts.

  17. Mapping the surface (hydr)oxo-groups of titanium oxide and its interface with an aqueous solution: the state of the art and a new approach.

    Science.gov (United States)

    Panagiotou, George D; Petsi, Theano; Bourikas, Kyriakos; Garoufalis, Christos S; Tsevis, Athanassios; Spanos, Nikos; Kordulis, Christos; Lycourghiotis, Alexis

    2008-10-01

    In this article the "titanium oxide/electrolyte solution" interface is studied by taking in advantage the recent developments in the field of Surface and Interface Chemistry relevant to this oxide. Ab-initio calculations were performed in the frame of the DFT theory for estimating the charge of the titanium and oxygen atoms exposed on the anatase (1 0 1), (1 0 0), (0 0 1), (1 0 3)(f) and rutile (1 1 0) crystal faces. These orientations have smaller surface energy with respect to other ones and thus it is more probable to be the real terminations of the anatase and rutile nanocrystallites in the titania polycrystalline powders. Potentiometric titrations for obtaining "fine structured" titration curves as well as microelectrophoresis and streaming potential measurements have been performed. On the basis of ab-initio calculations, and taking into account the relative contribution of each crystal face to the whole surface of the nanocrystals involved in the titania aggregates of a suspension, the three most probable surface ionization models have been derived. These models and the Music model are then tested in conjunction with the "Stern-Gouy-Chapman" and "Basic Stern" electrostatic models. The finally selected surface ionization model (model A) in combination with each one of the two electrostatic models describes very well the protonation/deprotonation behavior of titania. The description is also very good if this model is combined with the Three Plane (TP) model. The application of the "A/(TP)" model allowed mapping the surface (hydr)oxo-groups [TiO(H) and Ti(2)O(H)] of titania exposed in aqueous solutions. At pH>pzc almost all terminal oxygens [TiO] are non-protonated whereas even at low pH values the non-protonated terminal oxygens predominate. The acid-base behavior of the bridging oxygens [Ti(2)O] is different. Thus, even at pH=10 the greater portion of them is protonated. The application of the "A/TP" model in conjunction with potentiometric titrations

  18. Adsorption and magnetism of bilayer graphene on the MnO polar surface with oxygen vacancies in the interface: First principles study

    Science.gov (United States)

    Ilyasov, Victor V.; Ershov, Igor V.; Popova, Inna G.; Pham, Khang D.; Nguyen, Chuong V.

    2018-05-01

    In this paper, we investigate systematically the structural, electronic, magnetic and adsorption properties of Bernal-stacked bilayer graphene on MnO(111) surface terminated by an oxygen atom, as a function of nonstoichiometric composition of the BLG/MnOx(111) interface. For additional functionalization of the BLG/MnOx(111) system, we also studied the adsorption properties of oxygen adsorbed on the BLG/MnOx(111) interface. Our results showed that the BLG is bound to the MnOx(111) substrate by the weak interaction for both spin-up and spin-down. Furthermore, we found that BLG adsorbed on the MnOx(111) substrate with a reduced oxygen symmetry in the interface is accompanied with a downshift of the Fermi level, which identifies the band structure of BLG as a p-type semiconductor. Upon interaction between BLG and MnOx(111) substrate, a forbidden gap of about 350 meV was opened between its bonding and antibonding π bands. A forbidden gap and the local magnetic moments in bilayer graphene can be controlled by changing the oxygen nonstoichometry or by oxygen adsorption. Additionally, magnetism has been predicted in the bilayer graphene adsorbed on the polar MnOx(111) surface with oxygen vacancies in the BLG/MnOx(111) interface, and its nature has also been discussed in this work. These results showed that the adsorption of bilayer graphene on the MnO(111) substrate can be used for developing novel generation of electronic and spintronic devices.

  19. Counting surface-kernel epimorphisms from a co-compact Fuchsian group to a cyclic group with motivations from string theory and QFT

    Directory of Open Access Journals (Sweden)

    Khodakhast Bibak

    2016-09-01

    Full Text Available Graphs embedded into surfaces have many important applications, in particular, in combinatorics, geometry, and physics. For example, ribbon graphs and their counting is of great interest in string theory and quantum field theory (QFT. Recently, Koch et al. (2013 [12] gave a refined formula for counting ribbon graphs and discussed its applications to several physics problems. An important factor in this formula is the number of surface-kernel epimorphisms from a co-compact Fuchsian group to a cyclic group. The aim of this paper is to give an explicit and practical formula for the number of such epimorphisms. As a consequence, we obtain an ‘equivalent’ form of Harvey's famous theorem on the cyclic groups of automorphisms of compact Riemann surfaces. Our main tool is an explicit formula for the number of solutions of restricted linear congruence recently proved by Bibak et al. using properties of Ramanujan sums and of the finite Fourier transform of arithmetic functions.

  20. Surface reactivity measurements as required for grouping and read-across: An advanced FRAS protocol

    Science.gov (United States)

    Gandon, Arnaud; Werle, Kai; Neubauer, Nicole; Wohlleben, Wendel

    2017-06-01

    Oxidative stress is a widely accepted paradigm associated with different adverse outcomes of particulate matter, including nanomaterials. It has frequently been identified in in vitro and in vivo studies and different assays have been developed for this purpose. Here we describe a newly developed multi-dose protocol of the FRAS assay (Ferric Reduction Ability of Serum). The purpose of this SOP is the measurement of the surface reactivity of nanomaterials under physiological conditions. Antioxidative components as present in human blood serum (HBS) serve as reporter molecules. The assay separates the oxidative damage from the read-out of the reporter molecules. The results show significantly enhanced repeatability with better sensitivity towards low reactivity, enabling application of FRAS both to a rough grouping by reactive vs. passive nanomaterials and further to substantiation of read-across by enhanced resolution of the similarity between different nanoforms of the same substance.

  1. Surface reactivity measurements as required for grouping and read-across: An advanced FRAS protocol

    International Nuclear Information System (INIS)

    Gandon, Arnaud; Werle, Kai; Neubauer, Nicole; Wohlleben, Wendel

    2017-01-01

    Oxidative stress is a widely accepted paradigm associated with different adverse outcomes of particulate matter, including nanomaterials. It has frequently been identified in in vitro and in vivo studies and different assays have been developed for this purpose. Here we describe a newly developed multi-dose protocol of the FRAS assay (Ferric Reduction Ability of Serum). The purpose of this SOP is the measurement of the surface reactivity of nanomaterials under physiological conditions. Antioxidative components as present in human blood serum (HBS) serve as reporter molecules. The assay separates the oxidative damage from the read-out of the reporter molecules. The results show significantly enhanced repeatability with better sensitivity towards low reactivity, enabling application of FRAS both to a rough grouping by reactive vs. passive nanomaterials and further to substantiation of read-across by enhanced resolution of the similarity between different nanoforms of the same substance. (paper)

  2. Improvement of surface wetting properties of poly(p-phenylene benzoxazole) by incorporation of ionic groups

    Energy Technology Data Exchange (ETDEWEB)

    Luo Kaiqing [State Key Laboratory for Modification of Chemical Fibers and Polymer Materials, College of Material Science and Engineering, Donghua University, Shanghai 200051 (China); Jin Junhong [State Key Laboratory for Modification of Chemical Fibers and Polymer Materials, College of Material Science and Engineering, Donghua University, Shanghai 200051 (China); Yang Shenglin [State Key Laboratory for Modification of Chemical Fibers and Polymer Materials, College of Material Science and Engineering, Donghua University, Shanghai 200051 (China); Li Guang [State Key Laboratory for Modification of Chemical Fibers and Polymer Materials, College of Material Science and Engineering, Donghua University, Shanghai 200051 (China)]. E-mail: lig@dhu.edu.cn; Jiang Jianming [State Key Laboratory for Modification of Chemical Fibers and Polymer Materials, College of Material Science and Engineering, Donghua University, Shanghai 200051 (China)

    2006-07-25

    Modified poly(p-phenylene benzoxazole), SPBO, containing ionic sulfonate groups was synthesized by polycondensation of the corresponding monomers in polyphosphoric acid. SPBO fiber was spun via a dry-jet wet-spinning technique. The wetting property of poly(p-phenylene benzoxazole) (PBO) fiber and SPBO fiber were measured by contact angle analysis, and the interfacial shear strength (IFSS) between fibers and epoxy was determined by microbond pull-out testing. The contact angles of water and ethanol on SPBO fiber surface get smaller, and the wetting process becomes faster. The surface free energy of SPBO fiber increases to 38.9 mJ m{sup -2}, which is 9.6% higher than that of PBO fiber. Furthermore the ionic introducing leads to a 23% increase in IFSS from 8.2 MPa for PBO/epoxy to 10.1 MPa for SPBO/epoxy. It could be expected that the failure mode may change from fiber/matrix interface adhesive failure to partly cohesive failure mode.

  3. Micrometer-sized TPM emulsion droplets with surface-mobile binding groups

    Science.gov (United States)

    van der Wel, Casper; van de Stolpe, Guido L.; Verweij, Ruben W.; Kraft, Daniela J.

    2018-03-01

    Colloids coated with lipid membranes have been widely employed for fundamental studies of lipid membrane processes, biotechnological applications such as drug delivery and biosensing, and more recently, for self-assembly. The latter has been made possible by inserting DNA oligomers with covalently linked hydrophobic anchors into the membrane. The lateral mobility of the DNA linkers on micrometer-sized droplets and solid particles has opened the door to creating structures with unprecedented structural flexibility. Here, we investigate micro-emulsions of TPM (3-(trimethoxysilyl)propyl methacrylate) as a platform for lipid monolayers and further functionalization with proteins and DNA oligonucleotides. TPM droplets can be produced with a narrow size distribution and are polymerizable, thus providing supports for model lipid membranes with controlled size and curvature. With fluorescence recovery after photobleaching, we observed that droplet-attached lipids, NeutrAvidin proteins, as well as DNA oligonucleotides all show mobility on the surface. We explored the assembly of micron-sized particles on TPM-droplets by exploiting either avidin-biotin interactions or double-stranded DNA with complementary single-stranded end groups. While the single molecules are mobile, the particles that are attached to them are not. We propose that this is caused by the heterogeneous nature of emulsified TPM, which forms an oligomer network that limits the collective motion of linkers, but allows the surface mobility of individual molecules.

  4. Oxygenated organic functional groups and their sources in single and submicron organic particles in MILAGRO 2006 campaign

    Directory of Open Access Journals (Sweden)

    S. Liu

    2009-09-01

    Full Text Available Fourier Transform Infrared (FTIR and X-ray Fluorescence (XRF were used to measure organic functional groups and elements of submicron particles collected during MILAGRO in March 2006 on three platforms: the Mexico City urban area (SIMAT, the high altitude site at 4010 m (Altzomoni, and the NCAR C130 aircraft. Scanning Transmission X-ray Microscopy (STXM and Near-Edge X-ray Absorption Fine Structure (NEXAFS were applied to single particle organic functional group abundance analysis of particles simultaneously collected at SIMAT and C130. Correlations of elemental concentrations showed different groups of source-related elements at SIMAT, Altzomoni, and C130, suggesting different processes affecting the air masses sampled at the three platforms. Cluster analysis resulted in seven distinct clusters of FTIR spectra, with the last three clusters consisting of spectra collected almost exclusively on the C130 platform, reflecting the variety of sources contributing to C130 samples. Positive Matrix Factorization (PMF of STXM-NEXAFS spectra identified three main factors representing soot, secondary, and biomass burning type spectra. PMF of FTIR spectra resulted in two fossil fuel combustion factors and one biomass burning factor, the former representative of source regions to the northeast and southwest of SIMAT. Alkane, carboxylic acid, amine, and alcohol functional groups were mainly associated with combustion related sources, while non-acid carbonyl groups were likely from biomass burning events. The majority of OM and O/C was attributed to combustion sources, although no distinction between direct emissions and atmospherically processed OM could be identified.

  5. Selective surface functionalization of polystyrene induced by synchrotron or UV radiation in the presence of oxygen or acrylic acid vapors

    International Nuclear Information System (INIS)

    Kessler, Felipe; Kuhn, Sidiney; Weibel, Daniel E.

    2009-01-01

    Efficient surface functionalization of Polystyrene (PS) thin films by electromagnetic radiation in combination with a reactive gaseous atmosphere was obtained. Monochromatic synchrotron (SR) or polychromatic UV radiation were used as excitation sources. When SR was used, O 2 was introduced after irradiation into the UHV chamber. UV irradiation was carried out keeping a constant flow of O 2 or acrylic acid (AA) vapors during the photolysis. FTIR-ATR and XPS-NEXAFS spectra were obtained at the UFRGS and the LNLS, Campinas respectively. PS films were functionalized by monochromatic SR and then expose to O 2 at specific transitions such us C 1s →σ * C-C excitation. It was found a high rate of COO, C=O and C-O groups at the surface (> 70%). UV-assisted treatment in the presence of AA vapors showed that an efficient polymerization process took place, such as, it was observed in previous AA low pressure RF plasma treatments. UV-assisted functionalization has the advantage of lower costs and simple set-up compared to plasma treatments. (author)

  6. Magnetism, Spin Texture, and In-Gap States: Atomic Specialization at the Surface of Oxygen-Deficient SrTiO_{3}.

    Science.gov (United States)

    Altmeyer, Michaela; Jeschke, Harald O; Hijano-Cubelos, Oliver; Martins, Cyril; Lechermann, Frank; Koepernik, Klaus; Santander-Syro, Andrés F; Rozenberg, Marcelo J; Valentí, Roser; Gabay, Marc

    2016-04-15

    Motivated by recent spin- and angular-resolved photoemission (SARPES) measurements of the two-dimensional electronic states confined near the (001) surface of oxygen-deficient SrTiO_{3}, we explore their spin structure by means of ab initio density functional theory (DFT) calculations of slabs. Relativistic nonmagnetic DFT calculations display Rashba-like spin winding with a splitting of a few meV and when surface magnetism on the Ti ions is included, bands become spin-split with an energy difference ∼100  meV at the Γ point, consistent with SARPES findings. While magnetism tends to suppress the effects of the relativistic Rashba interaction, signatures of it are still clearly visible in terms of complex spin textures. Furthermore, we observe an atomic specialization phenomenon, namely, two types of electronic contributions: one is from Ti atoms neighboring the oxygen vacancies that acquire rather large magnetic moments and mostly create in-gap states; another comes from the partly polarized t_{2g} itinerant electrons of Ti atoms lying further away from the oxygen vacancy, which form the two-dimensional electron system and are responsible for the Rashba spin winding and the spin splitting at the Fermi surface.

  7. Ionic Conductivity of Mesostructured Yttria-Stabilized Zirconia Thin Films with Cubic Pore Symmetry—On the Influence of Water on the Surface Oxygen Ion Transport.

    Science.gov (United States)

    Elm, Matthias T; Hofmann, Jonas D; Suchomski, Christian; Janek, Jürgen; Brezesinski, Torsten

    2015-06-10

    Thermally stable, ordered mesoporous thin films of 8 mol % yttria-stabilized zirconia (YSZ) were prepared by solution-phase coassembly of chloride salt precursors with an amphiphilic diblock copolymer using an evaporation-induced self-assembly process. The resulting material is of high quality and exhibits a well-defined three-dimensional network of pores averaging 24 nm in diameter after annealing at 600 °C for several hours. The wall structure is polycrystalline, with grains in the size range of 7 to 10 nm. Using impedance spectroscopy, the total electrical conductivity was measured between 200 and 500 °C under ambient atmosphere as well as in dry atmosphere for oxygen partial pressures ranging from 1 to 10(-4) bar. Similar to bulk YSZ, a constant ionic conductivity is observed over the whole oxygen partial pressure range investigated. In dry atmosphere, the sol-gel derived films have a much higher conductivity, with different activation energies for low and high temperatures. Overall, the results indicate a strong influence of the surface on the transport properties in cubic fluorite-type YSZ with high surface-to-volume ratio. A qualitative defect model which includes surface effects (annihilation of oxygen vacancies as a result of water adsorption) is proposed to explain the behavior and sensitivity of the conductivity to variations in the surrounding atmosphere.

  8. OPA quantification of amino groups at the surface of lipidic nanocapsules (LNCs) for ligand coupling improvement.

    Science.gov (United States)

    Perrier, Thomas; Fouchet, Florian; Bastiat, Guillaume; Saulnier, Patrick; Benoît, Jean-Pierre

    2011-10-31

    Lipidic NanoCapsules (LNCs) were prepared via an emulsion phase inversion method. Nanoparticles with hydrodynamic diameter of 25, 50 and 100 nm were easily obtained. Their surfaces are covered with short PEG chains (PEG 660) which are not bearing any chemical reactivities. Thus, in order to overcome this handicap towards post-functionalization possibilities, post-insertion of DSPE-PEG2000 amino (DSPA) can be employed. In order to characterize the insertion step, we have developed a chemical assay for the quantification of amino group inside the PEG shell of LNCs. Subsequently, the post-insertion yield was found to be comprised between 60 and 90% whatever the hydrodynamic diameter of the LNCs is. By means of simple calculations, the density of amino group is estimated to be closed to 0.2 and 1.2 molecules/nm(2). The formulation of LNCs and their controlled functionalization represent an interesting system for the development of bionanoconjugates in a short and effective process. Copyright © 2011 Elsevier B.V. All rights reserved.

  9. Corrosion of copper in oxygen-deficient groundwater with and without deep bedrock micro-organisms: Characterisation of microbial communities and surface processes

    Energy Technology Data Exchange (ETDEWEB)

    Huttunen-Saarivirta, E., E-mail: elina.huttunen-saarivirta@vtt.fi [VTT Technical Research Centre of Finland, Materials Performance, Kemistintie 3, FI-02044 VTT (Finland); Rajala, P. [VTT Technical Research Centre of Finland, Materials Performance, Kemistintie 3, FI-02044 VTT (Finland); Bomberg, M. [VTT Technical Research Centre of Finland, Geobiotechnology, Tietotie 2, FI-02044 VTT (Finland); Carpén, L. [VTT Technical Research Centre of Finland, Materials Performance, Kemistintie 3, FI-02044 VTT (Finland)

    2017-02-28

    Highlights: • Copper was exposed to groundwater with and without deep bedrock micro-organisms. • Biofilm composition was determined and correlated with the behaviour of copper. • Under biotic conditions, the film of Cu{sub 2}S formed on copper surfaces. • Bacterial pool was in a key role for the morphology and properties of Cu{sub 2}S film. • Under abiotic conditions, Cu{sub 2}O systematically developed on copper surfaces. - Abstract: Copper specimens were exposed to oxygen-deficient artificial groundwater in the presence and absence of micro-organisms enriched from the deep bedrock of the planned nuclear waste repository site at Olkiluoto island on the western coast of Finland. During the exposure periods of 4 and 10 months, the copper specimens were subjected to electrochemical measurements. The biofilm developed on the specimens and the water used in the exposures were subjected to microbiological analyses. Changes in the water chemistry were also determined and surfaces of the copper specimens were characterized with respect to the morphology and composition of the formed corrosion products. The results showed that under biotic conditions, redox of the water and open circuit potential (OCP) of the copper specimens were generally negative and resulted in the build-up of a copper sulphide, Cu{sub 2}S, layer due to the activity of sulphate-reducing bacteria (SRB) that were included in the system. In the 4-month test, the electrochemical behaviour of the specimens changed during the exposure and alphaproteobactria Rhizobiales were the dominant bacterial group in the biofilm where the highest corrosion rate was observed. In the 10-month test, however, deltaproteobacteria SRB flourished and the initial electrochemical behaviour and the low corrosion rate of the copper were retained until the end of the test period. Under abiotic conditions, the positive water redox potential and specimen OCP correlated with the formation of copper oxide, Cu{sub 2}O

  10. Investigation of the oxygen exchange mechanism on Pt|yttria stabilized zirconia at intermediate temperatures: Surface path versus bulk path.

    Science.gov (United States)

    Opitz, Alexander K; Lutz, Alexander; Kubicek, Markus; Kubel, Frank; Hutter, Herbert; Fleig, Jürgen

    2011-11-30

    The oxygen exchange kinetics of platinum on yttria-stabilized zirconia (YSZ) was investigated by means of geometrically well-defined Pt microelectrodes. By variation of electrode size and temperature it was possible to separate two temperature regimes with different geometry dependencies of the polarization resistance. At higher temperatures (550-700 °C) an elementary step located close to the three phase boundary (TPB) with an activation energy of ∼1.6 eV was identified as rate limiting. At lower temperatures (300-400 °C) the rate limiting elementary step is related to the electrode area and exhibited a very low activation energy in the order of 0.2 eV. From these observations two parallel pathways for electrochemical oxygen exchange are concluded.The nature of these two elementary steps is discussed in terms of equivalent circuits. Two combinations of parallel rate limiting reaction steps are found to explain the observed geometry dependencies: (i) Diffusion through an impurity phase at the TPB in parallel to diffusion of oxygen through platinum - most likely along Pt grain boundaries - as area-related process. (ii) Co-limitation of oxygen diffusion along the Pt|YSZ interface and charge transfer at the interface with a short decay length of the corresponding transmission line (as TPB-related process) in parallel to oxygen diffusion through platinum.

  11. Suppression of self-organized surface nanopatterning on GaSb/InAs multilayers induced by low energy oxygen ion bombardment by using simultaneously sample rotation and oxygen flooding

    Science.gov (United States)

    Beainy, Georges; Cerba, Tiphaine; Bassani, Franck; Martin, Mickaël; Baron, Thierry; Barnes, Jean-Paul

    2018-05-01

    Time of flight secondary ion mass spectrometry (ToF-SIMS) is a well-adapted analytical method for the chemical characterization of concentration profiles in layered or multilayered materials. However, under ion beam bombardment, initially smooth material surface becomes morphologically unstable. This leads to abnormal secondary ion yields and depth profile distortions. In this contribution, we explore the surface topography and roughening evolution induced by O2+ ion bombardment on GaSb/InAs multilayers. We demonstrate the formation of nanodots and ripples patterning according to the ion beam energy. Since the latter are undesirable for ToF-SIMS analysis, we managed to totally stop their growth by using simultaneously sample rotation and oxygen flooding. This unprecedented coupling between these two latter mechanisms leads to a significant enhancement in depth profiles resolution.

  12. Introduction of sulfate groups on poly(ethylene) surfaces by argon plasma immobilization of sodium alkyl sulfates

    NARCIS (Netherlands)

    Lens, J.P.; Lens, J.P.; Terlingen, J.G.A.; Terlingen, J.G.A.; Engbers, G.H.M.; Feijen, Jan

    1998-01-01

    Sulfate groups were introduced at the surface of poly(ethylene) (PE) samples. This was accomplished by immobilizing a precoated layer of either sodium 10-undecene sulfate (S11(:)) or sodium dodecane sulfate (SDS) on the polymeric surface by means of an argon plasma treatment. For this purpose,

  13. Soil surface protection by Biocrusts: effects of functional groups on textural properties

    Science.gov (United States)

    Concostrina-Zubiri, Laura; Huber-Sannwald, Elisabeth; Martínez, Isabel; Flores Flores, José Luis; Escudero, Adrián

    2015-04-01

    In drylands, where vegetation cover is commonly scarce, soil surface is prone to wind and water soil erosion, with the subsequent loss of topsoil structure and chemical properties. These processes are even more pronounced in ecosystems subjected to extra erosive forces, such as grasslands and rangelands that support livestock production. However, some of the physiological and functional traits of biocrusts (i.e., complex association of cyanobacteria, lichens, mosses, fungi and soil particles) make them ideal to resist in disturbed environments and at the same time to protect soil surface from mechanical perturbations. In particular, the filaments and exudates of soil cyanobacteria and the rhizines of lichen can bind together soil particles, forming soil aggregates at the soil surface and thus enhancing soil stability. Also, they act as "biological covers" that preserve the most vulnerable soil layer from wind and runoff erosion and raindrop impact, maintaining soil structure and composition. In this work, we evaluated soil textural properties and organic matter content under different functional groups of biocrusts (i.e., cyanobacteria crust, 3 lichen species, 1 moss species) and in bare soil. In order to assess the impact of livestock trampling on soil properties and on Biocrust function, we sampled three sites conforming a disturbance gradient (low, medium and high impact sites) and a long-term livestock exclusion as control site. We found that the presence of biocrusts had little effects on soil textural properties and organic matter content in the control site, while noticeable differences were found between bare soil and soil under biocrusts (e.g., up to 16-37% higher clay content, compared to bare soil and up to 10% higher organic matter content). In addition, we found that depending on morphological traits and grazing regime, the effects of biocrusts changed along the gradient. For example, soil under the lichen Diploschistes diacapsis, with thick thallus

  14. Gold nanoring-enhanced generation of singlet oxygen: an intricate correlation with surface plasmon resonance and polyelectrolyte bilayers

    Czech Academy of Sciences Publication Activity Database

    Hu, Y.; Kaňka, Jiří; Liu, K.; Yang, Y.; Wang, H.; Du, H.

    2016-01-01

    Roč. 6, č. 106 (2016), s. 104819-104826 ISSN 2046-2069 R&D Projects: GA ČR(CZ) GBP205/12/G118 Institutional support: RVO:67985882 Keywords : Singlet oxygen * Fluorescence * Gold nanorings Subject RIV: JA - Electronics ; Optoelectronics, Electrical Engineering Impact factor: 3.108, year: 2016

  15. Reaction of oxygen with γ, δ-ethylenic phenylhydrazones. Model reaction of end-group behavior in phenylhydrazine-accelerated oxidation of natural rubber

    International Nuclear Information System (INIS)

    El Hamdaoui, A.; Reyx, D.; Campistron, I.

    1995-01-01

    An accurate definition of terminal groups of chains in the liquid polymers obtained by the phenylhydrazine-accelerated oxidation of natural rubber is needed. The object of the work was to use model molecules to explore the behavior of γ,δ-ethylenic methylketone phenylhydrazone end-groups in oxidation conditions. We have investigated the synthesis and characterization of models of these hypothetical end-groups, methylketones and phenones 1, their phenylhydrazones 2, the α-(phenyldiazenyl)hydroperoxides 3 resulting from reaction of 2 with oxygen, and the α-(phenyldiazenyl)alcohols 4 as characteristic derivatives of 3 or as models of possible reduced structures in oxidized liquid natural rubber. Three original syntheses of γ,δ-ethylenic ketones were carried out. In the case of γ,δ-ethylenic phenylhydrazones, the oxidation led to the expected α-(phenyldiazenyl)hydroperoxides and to epoxide derivatives of α-(phenyldiazenyl)alcohols 5 and ketones 6. An intramolecular mechanism is proposed. The results are used to predict the possibilities of identification of the corresponding end-groups in liquid rubbers produced in this way. (authors). 16 refs., 12 figs., 3 tabs

  16. Oxygen Therapy

    Science.gov (United States)

    ... best for you. Oxygen is usually delivered through nasal prongs (an oxygen cannula) or a face mask. Oxygen equipment can attach to other medical equipment such as CPAP machines and ventilators. Oxygen therapy can help you ...

  17. Oxygen Extraction from Minerals

    Science.gov (United States)

    Muscatello, Tony

    2017-01-01

    Oxygen, whether used as part of rocket bipropellant or for astronaut life support, is a key consumable for space exploration and commercialization. In Situ Resource Utilization (ISRU) has been proposed many times as a method for making space exploration more cost effective and sustainable. On planetary and asteroid surfaces the presence of minerals in the regolith that contain oxygen is very common, making them a potential oxygen resource. The majority of research and development for oxygen extraction from minerals has been for lunar regolith although this work would generally be applicable to regolith at other locations in space. This presentation will briefly survey the major methods investigated for oxygen extraction from regolith with a focus on the current status of those methods and possible future development pathways. The major oxygen production methods are (1) extraction from lunar ilmenite (FeTiO3) with either hydrogen or carbon monoxide, (2) carbothermal reduction of iron oxides and silicates with methane, and (3) molten regolith electrolysis (MRE) of silicates. Methods (1) and (2) have also been investigated in a two-step process using CO reduction and carbon deposition followed by carbothermal reduction. All three processes have byproducts that could also be used as resources. Hydrogen or carbon monoxide reduction produce iron metal in small amounts that could potentially be used as construction material. Carbothermal reduction also makes iron metal along with silicon metal and a glass with possible applications. MRE produces iron, silicon, aluminum, titanium, and glass, with higher silicon yields than carbothermal reduction. On Mars and possibly on some moons and asteroids, water is present in the form of mineral hydrates, hydroxyl (-OH) groups on minerals, andor water adsorbed on mineral surfaces. Heating of the minerals can liberate the water which can be electrolyzed to provide a source of oxygen as well. The chemistry of these processes, some key

  18. The Group for High Resolution Sea Surface Temperature: Past, Present and Future.

    Science.gov (United States)

    Donlon, Craig; Casey, Kenneth; Minnett, Peter; Corlett, Gary

    2014-05-01

    In the last decade, satellite Agencies, science, operational user/producer and Sea Surface Temperature practitioner communities have come together within the Group for High Resolution SST (GHRSST) to create a new framework for generation, delivery and application of improved common format high-resolution (~1-10 km) satellite SST datasets for the benefit of society. The GHRSST data system is a mature, robust, and highly reliable near real time and delayed mode data system known as the GHRSST Regional/Global Task Sharing framework (R/GTS) and has operated in NRT since 2006. It consists of distributed Regional Data Assembly Centers (RDACs) around the world that submit their data to a Global Data Assembly Center (GDAC) maintained at the NASA Jet Propulsion Laboratory Physical Oceanography Distributed Active Archive Center (JPL PO.DAAC), where all the data are available for 30 days. After that they are transferred to the GHRSST Long Term Stewardship and Reanalysis Facility (LTSRF) at the U.S. National Oceanographic Data Center (NODC) for long-term preservation and distribution. The extensive user base includes many operational meteorological services, the scientific community, industry and Government. Since the R/GTS has operated, statistics show over 72,000 users have accessed the R/GTS in NRT, accessing over 100 million files amounting to more than 232 Tb of information. GHRSST has an organisation structure that has both fixed and flexible components allowing it to respond effectively and efficiently to new and emerging challenges. GHRSST has often been cited as a model for other Virtual Communities/Constellations. GHRSST is underpinned by an international Science Team and International Project Office together. Long-standing GHRSST Technical Advisory Groups (TAG) and ad hoc Working Groups (WG) are typically at the "cutting edge" of international SST activities delivering real coordination in space-based Earth observations for societal benefit through the prioritized

  19. On the organization and thermal behavior of functional groups on Ti3C2 MXene surfaces in vacuum

    Science.gov (United States)

    Persson, Ingemar; Näslund, Lars-Åke; Halim, Joseph; Barsoum, Michel W.; Darakchieva, Vanya; Palisaitis, Justinas; Rosen, Johanna; Persson, Per O. Å.

    2018-03-01

    The two-dimensional (2D) MXene Ti3C2T x is functionalized by surface groups (T x ) that determine its surface properties for, e.g. electrochemical applications. The coordination and thermal properties of these surface groups has, to date, not been investigated at the atomic level, despite strong variations in the MXene properties that are predicted from different coordinations and from the identity of the functional groups. To alleviate this deficiency, and to characterize the functionalized surfaces of single MXene sheets, the present investigation combines atomically resolved in situ heating in a scanning transmission electron microscope (STEM) and STEM simulations with temperature-programmed x-ray photoelectron spectroscopy (TP-XPS) in the room temperature to 750 °C range. Using these techniques, we follow the surface group coordination at the atomic level. It is concluded that the F and O atoms compete for the DFT-predicted thermodynamically preferred site and that at room temperature that site is mostly occupied by F. At higher temperatures, F desorbs and is replaced by O. Depending on the O/F ratio, the surface bare MXene is exposed as F desorbs, which enables a route for tailored surface functionalization.

  20. Acid-base properties and the chemical imaging of surface-bound functional groups studied with scanning force microscopy

    NARCIS (Netherlands)

    van der Vegte, E.W.; Hadziioannou, G

    1997-01-01

    In this paper we present a scanning force microscopy (SFM) study on electrostatic and hydrogen-bonding interactions between chemically modified SFM probes and surface functional groups. pH-dependent adhesion force measurements in aqueous media between various ionizable functional groups showed a

  1. "Kinetics of the adsorption of atomic oxygen (N2O) on the Si(001)2x1 surface as revealed by the change in the surface conductance"

    NARCIS (Netherlands)

    Wormeester, Herbert; Keim, Enrico G.; van Silfhout, Arend

    1992-01-01

    The adsorption behaviour of N2O on the Si(001)2 × 1 surface at 300 K substrate temperature has been investigated by measuring in situ the surface conductance during the reaction process. For comparison we monitored in the same way the adsorption of O2 on the same surface which ultimately leads to

  2. First principles investigations on the electronic structure of anchor groups on ZnO nanowires and surfaces

    International Nuclear Information System (INIS)

    Dominguez, A.; Lorke, M.; Rosa, A. L.; Frauenheim, Th.; Schoenhalz, A. L.; Dalpian, G. M.; Rocha, A. R.

    2014-01-01

    We report on density functional theory investigations of the electronic properties of monofunctional ligands adsorbed on ZnO-(1010) surfaces and ZnO nanowires using semi-local and hybrid exchange-correlation functionals. We consider three anchor groups, namely thiol, amino, and carboxyl groups. Our results indicate that neither the carboxyl nor the amino group modify the transport and conductivity properties of ZnO. In contrast, the modification of the ZnO surface and nanostructure with thiol leads to insertion of molecular states in the band gap, thus suggesting that functionalization with this moiety may customize the optical properties of ZnO nanomaterials.

  3. Dissolved inorganic carbon, pH, oxygen, and other variables collected from surface discrete and surface underway observations using flow-through pump from NOAA Ship Gordon Gunter off the U.S. East Coast during the East Coast Ocean Acidification (ECOA) Cruise from 2015-06-19 to 2015-07-24 (NCEI Accession 0157485)

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — This archival package contains dissolved inorganic carbon, pH, oxygen, and other variables collected from surface discrete and surface underway observations during...

  4. Enhanced Cyclability of Lithium-Oxygen Batteries with Electrodes Protected by Surface Films Induced via In-Situ Electrochemical Process

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Bin; Xu, Wu; Tao, Jinhui; Yan, Pengfei; Zheng, Jianming; Engelhard, Mark H.; Lu, Dongping; Wang, Chongmin; Zhang, Jiguang

    2018-04-16

    Although the rechargeable lithium-oxygen (Li-O2) batteries have extremely high theoretical specific energy, the practical application of these batteries is still limited by the instability of their carbon-based air-electrode, Li metal anode, and electrolytes towards reduced oxygen species. Here we demonstrate a simple one-step in-situ electrochemical pre-charging strategy to generate thin protective films on both carbon nanotubes (CNTs) air-electrode and Li metal anode simultaneously under an inert atmosphere. Li-O2 cells after such pre-treatment demonstrate significantly extended cycle life of 110 and 180 cycles under the capacity-limited protocol of 1000 mAh g-1 and 500 mAh g-1, respectively, which is far more than those without pre-treatment. The thin-films formed from decomposition of electrolyte during in-situ electrochemical pre-charging process in an inert environment can protect both CNTs air-electrode and Li metal anode prior to conventional Li-O2 discharge/charge cycling where reactive reduced oxygen species are formed. This work provides a new approach for protections of carbon-based air-electrode and Li metal anode in practical Li-O2 batteries, and may also be applied to other battery systems.

  5. Stable isotopes of hydrogen and oxygen in surface water and ground water at selected sites on or near the Idaho National Engineering Laboratory, Idaho

    International Nuclear Information System (INIS)

    Ott, D.S.; Cecil, L.D.; Knobel, L.L.

    1994-01-01

    Relative stable isotopic ratios for hydrogen and oxygen compared to standard mean ocean water are presented for water from 4 surface-water sites and 38 ground-water sites on or near the Idaho National Engineering Laboratory (INEL). The surface-water samples were collected monthly from March 1991 through April 1992 and after a storm event on June 18, 1992. The ground-water samples either were collected during 1991 or 1992. These data were collected as part of the US Geological Survey's continuing hydrogeological investigations at the INEL. The relative isotopic ratios of hydrogen and oxygen are reported as delta 2 H (δ 2 H) and as delta 18 O (δ 18 O), respectively. The values of δ 2 H and δ 18 O in water from the four surface-water sites ranged from -143.0 to -122 and from -18.75 to -15.55, respectively. The values of δ 2 H and δ 18 O in water from the 38 ground-water sites ranged from -141.0 to -120.0 and from -18.55 to -14.95, respectively

  6. The Materials Chemistry of Atomic Oxygen with Applications to Anisotropic Etching of Submicron Structures in Microelectronics and the Surface Chemistry Engineering of Porous Solids

    Science.gov (United States)

    Koontz, Steve L.; Leger, Lubert J.; Wu, Corina; Cross, Jon B.; Jurgensen, Charles W.

    1994-01-01

    Neutral atomic oxygen is the most abundant component of the ionospheric plasma in the low Earth orbit environment (LEO; 200 to 700 kilometers altitude) and can produce significant degradation of some spacecraft materials. In order to produce a more complete understanding of the materials chemistry of atomic oxygen, the chemistry and physics of O-atom interactions with materials were determined in three radically different environments: (1) The Space Shuttle cargo bay in low Earth orbit (the EOIM-3 space flight experiment), (2) a high-velocity neutral atom beam system (HVAB) at Los Alamos National Laboratory (LANL), and (3) a microwave-plasma flowing-discharge system at JSC. The Space Shuttle and the high velocity atom beam systems produce atom-surface collision energies ranging from 0.1 to 7 eV (hyperthermal atoms) under high-vacuum conditions, while the flowing discharge system produces a 0.065 eV surface collision energy at a total pressure of 2 Torr. Data obtained in the three different O-atom environments referred to above show that the rate of O-atom reaction with polymeric materials is strongly dependent on atom kinetic energy, obeying a reactive scattering law which suggests that atom kinetic energy is directly available for overcoming activation barriers in the reaction. General relationships between polymer reactivity with O atoms and polymer composition and molecular structure have been determined. In addition, vacuum ultraviolet photochemical effects have been shown to dominate the reaction of O atoms with fluorocarbon polymers. Finally, studies of the materials chemistry of O atoms have produced results which may be of interest to technologists outside the aerospace industry. Atomic oxygen 'spin-off' or 'dual use' technologies in the areas of anisotropic etching in microelectronic materials and device processing, as well as surface chemistry engineering of porous solid materials are described.

  7. Mechanism of Decomposition of Surface Ethoxy Species to Ethene and Acidic OH Groups on H-ZSM-5.

    Science.gov (United States)

    Kondo, Junko N; Yamazaki, Hiroshi; Osuga, Ryota; Yokoi, Toshiyuki; Tatsumi, Takashi

    2015-06-18

    The reaction mechanism of the decomposition of ethoxy species to ethene and acidic OH groups on H-ZSM-5 was studied by IR spectroscopy using isotope-labeled ethanol. The concerted mechanism occurring on both the ethoxy (acid) site and the counterpart lattice oxygen was suggested by GC-MS analysis of evolved d2-ethene and IR observation of the recovery of OH s groups on acid sites from the decomposition of CH3CD2O- ethoxy species. The concerted mechanism was further confirmed by the estimation of activation energy for decomposition of CH3CH2O-, CH3CD2O-, and CD3CD2O- ethoxy species, 122 ± 3, 125 ± 3, and 140 ± 5 kJ mol(-1), respectively, where the kinetic isotope effect was observed for the cleavage of the CH or CD bond of the methyl group of the ethoxy species.

  8. Adhesion of coagulase-negative staphylococci grouped according to physico-chemical surface properties

    NARCIS (Netherlands)

    van der Mei, HC; van de Belt-Gritter, B; Reid, G; Bialkowska-Hobrzanska, H; Busscher, HJ

    1997-01-01

    Physico-chemical cell surface properties of 23 coagulase-negative staphylococcal strains, including contact angles, zeta potentials and elemental cell surface composition were measured, together with the adhesion of all strains to hexadecane, The data were employed in a hierarchical cluster

  9. Dissociation of N{sub 2}O on anatase TiO{sub 2} (001) surface – The effect of oxygen vacancy and presence of Ag cluster

    Energy Technology Data Exchange (ETDEWEB)

    Sowmiya, M.; Senthilkumar, K., E-mail: ksenthil@buc.edu.in

    2016-12-15

    Highlights: • This study elucidates the dissociation of N{sub 2}O on anatase TiO{sub 2} (001) surface. • N{sub 2}O is decomposed into N{sub 2} and O on reduced TiO{sub 2} even in the presence of Ag cluster. • Excess charge in reduced TiO{sub 2} surface is transferred to the adsorbed N{sub 2}O molecule. • The vibrational frequency analysis also performed to study the dissociation of N{sub 2}O. • Anatase TiO{sub 2} with oxygen vacancies is a suitable catalyst for decomposition of N{sub 2}O. - Abstract: The increase in concentration of nitrous oxide (N{sub 2}O) in the atmosphere is one of the major contributors to the greenhouse effect, ozone depletion and climate change. Therefore, it is important to decompose harmful N{sub 2}O molecule into harmless N{sub 2}. In the present work, we have studied the decomposition of N{sub 2}O on anatase TiO{sub 2} (001) surface using first principle calculations. The results indicates that the N{sub 2}O molecule is physisorbed on perfect TiO{sub 2} surface without any dissociation, and is dissociated into N{sub 2} and oxygen on the reduced TiO{sub 2} surface. In addition, it has been found that the interaction between N{sub 2}O and TiO{sub 2} is augmented by the presence of Ag cluster on anatase (001) surface. On the basis of Bader charge analysis and electron density difference plot, it has been found that the excess charge in the reduced anatase TiO{sub 2} (001) surface is transferred to the adsorbed N{sub 2}O molecule, which results the weakening of N–O bond of N{sub 2}O followed by the decomposition of N{sub 2}O into N{sub 2} and O. Vibrational frequency analysis also performed to confirm the decomposition of N{sub 2}O molecule. From the pathway for N{sub 2}O dissociation on reduced TiO{sub 2} and Ag/TiO{sub 2} surfaces, it has been observed that the dissociation reaction of N{sub 2}O on TiO{sub 2} surface is highly exothermic with activation energy barrier of 0.25 eV. The results presented in this work show that the

  10. Annotated bibliography for liquid metal surface tensions of groups III-A, IV-A, and V-A metals

    International Nuclear Information System (INIS)

    Murtha, M.J.; Burnet, G.

    1976-04-01

    An annotated bibliography has been prepared which includes summaries of 82 publications dating from 1920 and dealing with the measurement of the surface tensions of Groups III-A, IV-A, and V-A metals in the liquid state. The bibliography is organized by key element investigated, and contains a tabulation of correlations for surface tension as a function of temperature. A brief discussion dealing with variables and methods has been included

  11. Photoluminescence effects of graphitic core size and surface functional groups in carbon dots: COO− induced red-shift emission

    KAUST Repository

    Hola, Katerina

    2014-04-01

    We present a simple molecular approach to control the lipophilic/ hydrophilic nature of photoluminescent carbon dots (CDs) based on pyrolysis of alkyl gallate precursors. Depending on the gallic acid derivative used, CDs with different alkyl groups (methyl, propyl, lauryl) on the surface can be obtained by isothermal heating at 270 C. This precursor-derived approach allows not only the control of lipophilicity but also the length of the particular alkyl chain enables the control over both the size and photoluminescence (PL) of the prepared CDs. Moreover, the alkyl chains on the CDs surface can be readily converted to carboxylate groups via a mild base hydrolysis to obtain water dispersible CDs with a record biocompatibility. The observed differences in PL properties of CDs and time-resolved PL data, including contributions from carbogenic cores and surface functional group, are rationalized and discussed in detail using time-dependent density functional theory (TD-DFT) calculations. © 2013 Elsevier Ltd. All rights reserved.

  12. N- and S-doped high surface area carbon derived from soya chunks as scalable and efficient electrocatalysts for oxygen reduction

    Science.gov (United States)

    Rana, Moumita; Arora, Gunjan; Gautam, Ujjal K.

    2015-02-01

    Highly stable, cost-effective electrocatalysts facilitating oxygen reduction are crucial for the commercialization of membrane-based fuel cell and battery technologies. Herein, we demonstrate that protein-rich soya chunks with a high content of N, S and P atoms are an excellent precursor for heteroatom-doped highly graphitized carbon materials. The materials are nanoporous, with a surface area exceeding 1000 m2 g-1, and they are tunable in doping quantities. These materials exhibit highly efficient catalytic performance toward oxygen reduction reaction (ORR) with an onset potential of -0.045 V and a half-wave potential of -0.211 V (versus a saturated calomel electrode) in a basic medium, which is comparable to commercial Pt catalysts and is better than other recently developed metal-free carbon-based catalysts. These exhibit complete methanol tolerance and a performance degradation of merely ˜5% as compared to ˜14% for a commercial Pt/C catalyst after continuous use for 3000 s at the highest reduction current. We found that the fraction of graphitic N increases at a higher graphitization temperature, leading to the near complete reduction of oxygen. It is believed that due to the easy availability of the precursor and the possibility of genetic engineering to homogeneously control the heteroatom distribution, the synthetic strategy is easily scalable, with further improvement in performance.

  13. Optimum design of amphiphilic polymers bearing hydrophobic groups for both cell surface ligand presentation and intercellular cross-linking.

    Science.gov (United States)

    Takeo, Masafumi; Li, Cuicui; Matsuda, Masayoshi; Nagai, Hiroko; Hatanaka, Wataru; Yamamoto, Tatsuhiro; Kishimura, Akihiro; Mori, Takeshi; Katayama, Yoshiki

    2015-01-01

    Amphiphilic polymers bearing hydrophobic alkyl groups are expected to be applicable for both ligand presentation on the cell surface and intercellular crosslinking. To explore the optimum design for each application, we synthesized eight different acyl-modified dextrans with varying molecular weight, alkyl length, and alkyl modification degree. We found that the behenate-modified polymers retained on the cell surface longer than the palmitate-modified ones. Since the polymers were also modified with biotin, streptavidin can be presented on the cell surface through biotin-streptavidin recognition. The duration of streptavidin on the cell surface is longer in the behenate-modified polymer than the palmitate-modified one. As for the intercellular crosslinking, the palmitate-modified polymers were more efficient than the behenate-modified polymers. The findings in this research will be helpful to design the acyl-modified polymers for the cell surface engineering.

  14. Catechol Groups Enable Reactive Oxygen Species Scavenging-Mediated Suppression of PKD-NFkappaB-IL-8 Signaling Pathway by Chlorogenic and Caffeic Acids in Human Intestinal Cells.

    Science.gov (United States)

    Shin, Hee Soon; Satsu, Hideo; Bae, Min-Jung; Totsuka, Mamoru; Shimizu, Makoto

    2017-02-20

    Chlorogenic acid (CHA) and caffeic acid (CA) are phenolic compounds found in coffee, which inhibit oxidative stress-induced interleukin (IL)-8 production in intestinal epithelial cells, thereby suppressing serious cellular injury and inflammatory intestinal diseases. Therefore, we investigated the anti-inflammatory mechanism of CHA and CA, both of which inhibited hydrogen peroxide (H₂O₂)-induced IL-8 transcriptional activity. They also significantly suppressed nuclear factor kappa-light-chain-enhancer of activated B cells ( NF-κB ) transcriptional activity, nuclear translocation of the p65 subunit, and phosphorylation of IκB kinase (IKK). Additionally, upstream of IKK, protein kinase D (PKD) was also suppressed. Finally, we found that they scavenged H₂O₂-induced reactive oxygen species (ROS) and the functional moiety responsible for the anti-inflammatory effects of CHA and CA was the catechol group. Therefore, we conclude that the presence of catechol groups in CHA and CA allows scavenging of intracellular ROS, thereby inhibiting H₂O₂-induced IL-8 production via suppression of PKD-NF-κB signaling in human intestinal epithelial cells.

  15. Catechol Groups Enable Reactive Oxygen Species Scavenging-Mediated Suppression of PKD-NFkappaB-IL-8 Signaling Pathway by Chlorogenic and Caffeic Acids in Human Intestinal Cells

    Directory of Open Access Journals (Sweden)

    Hee Soon Shin

    2017-02-01

    Full Text Available Chlorogenic acid (CHA and caffeic acid (CA are phenolic compounds found in coffee, which inhibit oxidative stress-induced interleukin (IL-8 production in intestinal epithelial cells, thereby suppressing serious cellular injury and inflammatory intestinal diseases. Therefore, we investigated the anti-inflammatory mechanism of CHA and CA, both of which inhibited hydrogen peroxide (H2O2-induced IL-8 transcriptional activity. They also significantly suppressed nuclear factor kappa-light-chain-enhancer of activated B cells (NF-κB transcriptional activity, nuclear translocation of the p65 subunit, and phosphorylation of IκB kinase (IKK. Additionally, upstream of IKK, protein kinase D (PKD was also suppressed. Finally, we found that they scavenged H2O2-induced reactive oxygen species (ROS and the functional moiety responsible for the anti-inflammatory effects of CHA and CA was the catechol group. Therefore, we conclude that the presence of catechol groups in CHA and CA allows scavenging of intracellular ROS, thereby inhibiting H2O2-induced IL-8 production via suppression of PKD-NF-κB signaling in human intestinal epithelial cells.

  16. Dissociation and recombination rate constants for CN on Cu and Ni group transition metal surfaces

    Science.gov (United States)

    Sellers, Harrell

    2000-07-01

    We report dissociation and recombination reaction rate constants for CN on the fcc(111) surfaces of Ni, Pd, Pt, Cu, Ag and Au from molecular dynamics simulations employing our normalized bond index-reactive potential functions (NBI-RPF). The Arrhenius pre-exponentials for recombination of CN on these surfaces are about three orders of magnitude greater than the dissociation pre-exponentials. On the series of metals considered herein, the reaction energetics favor dissociation on the more active metals and favor recombination on the least active metals. However, the differences in the pre-exponentials of nearly a factor of 10 3 express the tendency of the reaction entropy to favor the recombination on the surfaces investigated. We also discuss the implications of these results in terms of the thermodynamics of the surface reactions.

  17. Nanoporous PdZr surface alloy as highly active non-platinum electrocatalyst toward oxygen reduction reaction with unique structure stability and methanol-tolerance

    Science.gov (United States)

    Duan, Huimei; Xu, Caixia

    2016-06-01

    Nanoporous (NP) PdZr alloy with controllable bimetallic ratio is successfully fabricated by a simple dealloying method. By leaching out the more reactive Al from PdZrAl precursor alloy, NP-PdZr alloy with smaller ligament size was generated, characterized by the nanoscaled interconnected network skeleton and hollow channels extending in all three dimensions. Upon voltammetric scan in acid solution, the dissolution of surface Zr atoms generates the highly active Pd-Zr surface alloy with a nearly pure Pd surface and Pd-Zr alloy core. The NP-Pd80Zr20 surface alloy exhibits markedly enhanced specific and mass activities as well as higher catalytic stability toward oxygen reduction reaction (ORR) compared with NP-Pd and the state-of-the-art Pt/C catalysts. In addition, the NP-Pd80Zr20 surface alloy shows a better selectivity for ORR than methanol in the 0.1 M HClO4 and 0.1 M methanol mixed solution. X-ray photoelectron spectroscopy and density functional theory calculations both demonstrate that the weakened Pd-O bond and improved ORR performances in turn depend on the downshifted d-band center of Pd due to the alloying Pd with Zr (20 at.%). The as-made NP-PdZr alloy holds prospective applications as a cathode electrocatalyst in fuel-cell-related technologies with the advantages of superior overall ORR performances, unique structure stability, and easy preparation.

  18. Long-term stability of superhydrophilic oxygen plasma-modified single-walled carbon nanotube network surfaces and the influence on ammonia gas detection

    Energy Technology Data Exchange (ETDEWEB)

    Min, Sungjoon [Department of Biomicrosystem Technology, Korea University, Seoul 136-713 (Korea, Republic of); Kim, Joonhyub [Department of Control and Instrumentation Engineering, Korea University, 2511 Sejong-ro, Sejong City 339-770 (Korea, Republic of); Park, Chanwon [Department of Electrical and Electronic Engineering, Kangwon National University, Chuncheon 200-701 (Korea, Republic of); Jin, Joon-Hyung, E-mail: jj1023@chol.com [Department of Chemical Engineering, Kyonggi University, 154-42 Gwanggyosan-ro, Yeongtong-gu, Suwon-si, Gyeonggi-do 16227 (Korea, Republic of); Min, Nam Ki, E-mail: nkmin@korea.ac.kr [Department of Biomicrosystem Technology, Korea University, Seoul 136-713 (Korea, Republic of)

    2017-07-15

    Graphical abstract: Superhydrophilic single-walled carbon nanotube obtained by O{sub 2} plasma treatment voluntarily and non-reversibly reverts to a metastable state. This aerobic aging is an essential process to develop a stable carbon nanotube-based sensor. - Highlights: • Superhydrophilic single-walled carbon nanotube network can be obtained by O{sub 2} plasma-based surface modification. • The modified carbon nanotube surface invariably reverts to a metastable state in a non-reversible manner. • Aerobic aging is essential to stabilize the modified carbon nanotube and the carbon nanotube-based sensing device due to minimized sensor-to-sensor variation. - Abstract: Single-walled carbon nanotube (SWCNT) networks are subjected to a low-powered oxygen plasma for the surface modification. Changes in the surface chemical composition and the stability of the plasma-treated SWCNT (p-SWCNT) with aging in air for up to five weeks are studied using X-ray photoelectron spectroscopy (XPS) and contact angle analysis. The contact angle decreases from 120° of the untreated hydrophobic SWCNT to 0° for the superhydrophilic p-SWCNT. Similarly, the ratio of oxygen to carbon (O:C) based on the XPS spectra increases from 0.25 to 1.19, indicating an increase in surface energy of the p-SWCNT. The enhanced surface energy is gradually dissipated and the p-SWCNT network loses the superhydrophilic surface property. However, it never revert to the original hydrophobic surface state but to a metastable hydrophilic state. The aging effect on sensitivity of the p-SWCNT network-based ammonia sensor is investigated to show the importance of the aging process for the stabilization of the p-SWCNT. The best sensitivity for monitoring NH{sub 3} gas is observed with the as-prepared p-SWCNT, and the sensitivity decreases as similar as the p-SWCNT loses its hydrophilicity with time goes by. After a large performance degradation during the aging time for about two weeks, the response

  19. Tuning Surface Electronic Configuration of NiFe LDHs Nanosheets by Introducing Cation Vacancies (Fe or Ni) as Highly Efficient Electrocatalysts for Oxygen Evolution Reaction.

    Science.gov (United States)

    Wang, Yanyong; Qiao, Man; Li, Yafei; Wang, Shuangyin

    2018-04-03

    Intrinsically inferior electrocatalytic activity of NiFe layered double hydroxides (LDHs) nanosheets is considered as a limiting factor to inhibit the electrocatalytic properties for oxygen evolution reaction (OER). Proper defect engineering to tune the surface electronic configuration of electrocatalysts may significantly improve the intrinsic activity. In this work, the selective formation of cation vacancies in NiFe LDHs nanosheets is successfully realized. The as-synthesized NiFe LDHs-V Fe and NiFe LDHs-V Ni electrocatalysts show excellent activity for OER, mainly attributed to the introduction of rich iron or nickel vacancies in NiFe LDHs nanosheets, which efficiently tune the surface electronic structure increasing the adsorbing capacity of OER intermediates. Density functional theory (DFT) computational results also further indicate that the OER catalytic performance of NiFe LDHs can be pronouncedly improved by introducing Fe or Ni vacancies. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Potential energy surface of the oxygen reduction reaction on palladium clusters; Superficie de energia potencial de la reaccion de reduccion de oxigeno sobre cumulos de paladio

    Energy Technology Data Exchange (ETDEWEB)

    Ramos-Sanchez, G.; Vazquez, G.; Grande-Aztatzi, R.; Vela, A.; Solorza-Feria, O. [Centro de Investigacion y de Estudios Avanzados del IPN, Mexico D.F. (Mexico)]. E-mail: gramos@cinvestav.mx

    2009-09-15

    The molecular simulation of the reactions occurring in fuel cells is of crucial importance since it helps to more thoroughly understand the processes that occur and thus contributes to improving the materials beyond the empirical level. This work presents the results of Pd cluster structures with 4 to 38 atoms with different point groups to simulate the possible intermediaries for the oxygen reduction reaction (ORR) and form the potential energy surface of the Pd{sub 4} cluster with the theory density functional theory (DFT) implemented with the deMon2K program. All the structures were optimized and characterized by harmonic frequency analysis, minimum and transition states, non-empirical PBE exchange -correlation- function and DZVP basis for H and O, and (QECP|SD) 18 Pd electrons with multiplicities from 1 to 8, depending on the case. The results show that two reduction routes, direct 4 e{sup -} and 2 + 2 e{sup -}, with the formation of peroxide are possible. Nevertheless, the preferred route is direct with very little or no formation of peroxide. [Spanish] La simulacion molecular de las reacciones que ocurren en las celdas de combustible, es de vital importancia debido a que ayuda a entender profundamente los procesos que se llevan a cabo y asi contribuir a mejorar los materiales mas alla del nivel empirico. En este trabajo se presentan los resultados de estructuras de cumulos de Pd de 4 a 38 atomos con diferentes grupos puntuales. Para simular los posibles intermediarios de la reaccion de reduccion de Oxigeno (RRO) y formar la superficie de energia potencial del cumulo de Pd{sub 4} mediante la Teoria de funcionales de la densidad (DFT) implementada en el programa deMon2k. Todas las estructuras se optimizaron y caracterizaron por analisis armonico de frecuencias los minimos y estados de transicion, empleando el funcional de intercambio-correlacion no empirico PBE y las bases DZVP para H y O y (QECP|SD) de 18 electrones para el Pd con multiplicidades de 1 a 8

  1. Oxygen sensitive microwells.

    Science.gov (United States)

    Sinkala, Elly; Eddington, David T

    2010-12-07

    Oxygen tension is critical in a number of cell pathways but is often overlooked in cell culture. One reason for this is the difficulty in modulating and assessing oxygen tensions without disturbing the culture conditions. Toward this end, a simple method to generate oxygen-sensitive microwells was developed through embossing polystyrene (PS) and platinum(ii) octaethylporphyrin ketone (PtOEPK) thin films. In addition to monitoring the oxygen tension, microwells were employed in order to isolate uniform clusters of cells in microwells. The depth and width of the microwells can be adapted to different experimental parameters easily by altering the thin film processing or embossing stamp geometries. The thin oxygen sensitive microwell substrate is also compatible with high magnification modalities such as confocal imaging. The incorporation of the oxygen sensor into the microwells produces measurements of the oxygen tension near the cell surface. The oxygen sensitive microwells were calibrated and used to monitor oxygen tensions of Madin-Darby Canine Kidney Cells (MDCKs) cultured at high and low densities as a proof of concept. Wells 500 µm in diameter seeded with an average of 330 cells exhibited an oxygen level of 12.6% whereas wells seeded with an average of 20 cells per well exhibited an oxygen level of 19.5%, a 35.7% difference. This platform represents a new tool for culturing cells in microwells in a format amenable to high magnification imaging while monitoring the oxygen state of the culture media.

  2. Leaf surface wax is a source of plant methane formation under UV radiation and in the presence of oxygen

    DEFF Research Database (Denmark)

    Bruhn, Dan; Mikkelsen, Teis Nørgaard; Rolsted, M. M. M.

    2014-01-01

    The terrestrial vegetation is a source of UV radiation-induced aerobic methane (CH4) release to the atmosphere. Hitherto pectin, a plant structural component, has been considered as the most likely precursor for this CH4 release. However, most of the leaf pectin is situated below the surface wax...... layer, and UV transmittance of the cuticle differs among plant species. In some species, the cuticle effectively absorbs and/or reflects UV radiation. Thus, pectin may not necessarily contribute substantially to the UV radiation-induced CH4 emission measured at surface level in all species. Here, we...... investigated the potential of the leaf surface wax itself as a source of UV radiationinduced leaf aerobic CH4 formation. Isolated leaf surface wax emitted CH4 at substantial rates in response to UV radiation. This discovery has implications for how the phenomenon should be scaled to global levels. In relation...

  3. The synthesis of PdPt/carbon paper via surface limited redox replacement reactions for oxygen reduction reaction

    CSIR Research Space (South Africa)

    Motsoeneng, RG

    2015-09-01

    Full Text Available Surface-limited redox replacement reactions using the electrochemical atomic layer deposition (EC-ALD) technique were used to synthesize PdPt bimetallic electrocatalysts on carbon paper substrate. Electrocatalysts having different Pd:Pt ratio were...

  4. Electronic states on the clean and oxygen-covered molybdenum (110) surface measured using time-of-flight momentum microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Chernov, Sergii

    2016-04-20

    Recent experiments discovered a new class of materials called topological insulators and started an extensive investigation in order to find more materials of such type and to understand and explore the opening perspectives in fundamental science and application. These materials exhibit a Dirac-type (massless) electronic state, bridging the fundamental band gap. Surprisingly, a strongly spin-polarized surface state with linear dispersion resembling that of Dirac type was found on the already well-investigated W(110) surface. This rose the question of the existence of the same non-trivial electron state on other metal surfaces. The present work describes the investigation of surface electronic states on the Mo(110) surface, their dispersion and transformation upon surface oxidation. This system is isoelectronic to the case of W(110) but due to the lower atomic number the spin-orbit interaction responsible for local band gap formation is substantially decreased by a factor of 5. The Mo(110) surface was shown to exhibit a linearly dispersing state quite similar to the one on W(110), but within a smaller energy range of 120 meV, with the Dirac point lying in the center of a local band gap in k-space. The experimental investigations were performed with the help of momentum microscopy, using a Ti:sapphire laser in the lab and synchrotron radiation at BESSY II, Berlin. The results show good agreement with theoretical calculations of the band structure and photoemission patterns for clean Mo(110). The fully parallel 3D acquisition scheme allowed to visualize the full surface Brillouin zone of the sample up to few eV binding energy within a single exposure of typically less than 30 min. This opens the door to future time-resolved experiments with maximum detection efficiency.

  5. Influence of the pre-adsorption of group III metals on the growth of Ge nanostructures on vicinal Si surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Speckmann, Moritz; Schmidt, Thomas; Flege, Jan Ingo; Heidmann, Inga; Hoecker, Jan; Wilkens, Torsten; Falta, Jens [Institute of Solid State Physics, University of Bremen (Germany)

    2010-07-01

    The employment of metals as surfactants (surface active agents) is a promising approach to influence the growth of Ge nanostructures on Si surfaces. Especially for group III and group V elements an enhanced or suppressed Stranski-Krastanov growth behaviour is found, respectively. For all group III metal on silicon systems presented in this study we observe a drastic change of the surface morphology after adsorption of a few monolayers. For the investigations we used a variety of surface sensitive techniques, e.g., scanning tunneling microscopy (STM), spot profile analysing low-energy electron diffraction (SPA-LEED), low-energy electron microscopy (LEEM), and X-ray standing waves (XSW). On the one hand, the adsorption of Ga and In leads to a smoothening of the intrinsically unstable Si(112) surface and the development of 1D metal chains. But on the other hand, the stable Si(113) is decomposed into a regular array of nanofacets after adsorption of Ga. For all cases shown here the possibility of growing highly anisotropic Ge Islands is demonstrated (Ga/Si(113),Ga/Si(112),In/Si(112)).

  6. 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.

  7. Leaf surface wax is a source of plant methane formation under UV radiation and in the presence of oxygen.

    Science.gov (United States)

    Bruhn, D; Mikkelsen, T N; Rolsted, M M M; Egsgaard, H; Ambus, P

    2014-03-01

    The terrestrial vegetation is a source of UV radiation-induced aerobic methane (CH4 ) release to the atmosphere. Hitherto pectin, a plant structural component, has been considered as the most likely precursor for this CH4 release. However, most of the leaf pectin is situated below the surface wax layer, and UV transmittance of the cuticle differs among plant species. In some species, the cuticle effectively absorbs and/or reflects UV radiation. Thus, pectin may not necessarily contribute substantially to the UV radiation-induced CH4 emission measured at surface level in all species. Here, we investigated the potential of the leaf surface wax itself as a source of UV radiation-induced leaf aerobic CH4 formation. Isolated leaf surface wax emitted CH4 at substantial rates in response to UV radiation. This discovery has implications for how the phenomenon should be scaled to global levels. In relation to this, we demonstrated that the UV radiation-induced CH4 emission is independent of leaf area index above unity. Further, we observed that the presence of O2 in the atmosphere was necessary for achieving the highest rates of CH4 emission. Methane formation from leaf surface wax is supposedly a two-step process initiated by a photolytic rearrangement reaction of the major component followed by an α-cleavage of the generated ketone. © 2014 German Botanical Society and The Royal Botanical Society of the Netherlands.

  8. Enhancing co-production of H2 and syngas via water splitting and POM on surface-modified oxygen permeable membranes

    KAUST Repository

    Wu, Xiao-Yu

    2016-09-26

    In this article, we report a detailed study on co-production of H2 and syngas on La0.9Ca0.1FeO3−δ (LCF-91) membranes via water splitting and partial oxidation of methane, respectively. A permeation model shows that the surface reaction on the sweep side is the rate limiting step for this process on a 0.9 mm-thick dense membrane at 990°C. Hence, sweep side surface modifications such as adding a porous layer and nickel catalysts were applied; the hydrogen production rate from water thermolysis is enhanced by two orders of magnitude to 0.37 μmol/cm2•s compared with the results on the unmodified membrane. At the sweep side exit, syngas (H2/CO = 2) is produced and negligible solid carbon is found. Yet near the membrane surface on the sweep side, methane can decompose into solid carbon and hydrogen at the surface, or it may be oxidized into CO and CO2, depending on the oxygen permeation flux.

  9. Interaction between two solid surfaces across PDMS : influence of chain length and end group

    NARCIS (Netherlands)

    Sun, G.X.; Stark, R.; Kappl, M.; Leermakers, F.A.M.; Butt, H.J.

    2005-01-01

    Forces between solid surfaces across polymer melts are poorly understood despite their importance for adhesion and composite materials. Using an atomic force microscope (AFM) this force was measured for poly(dimethyl siloxane) (PDMS) on silicon oxide. The influence of molecular weight (4.0-40 kDa)

  10. Electrodeposition of Pd based binary catalysts on Carbon paper via surface limited redox-replacement reaction for oxygen reduction reaction

    CSIR Research Space (South Africa)

    Modibedi, RM

    2014-05-01

    Full Text Available attention as it is more abundant and also cheaper than Pt. In this presentation, Electrochemical Atomic Layer Deposition (ECALD) was used in the preparation of binary ORR catalysts. The binary nanoclusters were synthesised via surface-limited redox-replacement...

  11. Micro and nanopatterning of functional materials on flexible plastic substrates via site-selective surface modification using oxygen plasma

    NARCIS (Netherlands)

    George, A.; Stawski, T.M.; Unnikrishnan, S.; Veldhuis, S.A.; Elshof, J.E. ten

    2012-01-01

    A simple and cost effective methodology for large area micro and nanopatterning of a wide range of functional materials on flexible substrates is presented. A hydrophobic-hydrophilic chemical contrast was patterned on surfaces of various flexible plastic substrates using molds and shadow masks with

  12. Micro- and nanopatterning of functional materials on flexible plastic substrates via site-selective surface modification using oxygen plasma

    NARCIS (Netherlands)

    George, A.; Stawski, Tomasz; Unnikrishnan, S.; Veldhuis, Sjoerd; ten Elshof, Johan E.

    2012-01-01

    A simple and cost effective methodology for large area micro and nanopatterning of a wide range of functional materials on flexible substrates is presented. A hydrophobic-hydrophilic chemical contrast was patterned on surfaces of various flexible plastic substrates using molds and shadow masks with

  13. Structure of the Clean and Oxygen-Covered Cu(100) Surface at Room Temperature in the Presence of Methanol Vapor in the 10-200 mTorr Pressure Range.

    Science.gov (United States)

    Eren, Baran; Kersell, Heath; Weatherup, Robert S; Heine, Christian; Crumlin, Ethan J; Friend, Cynthia M; Salmeron, Miquel B

    2018-01-18

    Using ambient pressure X-ray photoelectron spectroscopy (APXPS) and high pressure scanning tunneling microscopy (HPSTM), we show that in equilibrium with 0.01-0.2 Torr of methanol vapor, at room temperature, the Cu(100) surface is covered with methoxy species forming a c(2 × 2) overlayer structure. In contrast, no methoxy is formed if the surface is saturated with an ordered oxygen layer, even when the methanol pressure is 0.2 Torr. At oxygen coverages below saturation, methanol dissociates and reacts with the atomic oxygen, producing methoxy and formate on the surface, and formaldehyde that desorbs to the gas phase. Unlike the case of pure carbon monoxide and carbon dioxide, methanol does not induce the restructuring of the Cu(100) surface. These results provide insight into catalytic anhydrous production of aldehydes.

  14. Solubility studies of inorganic–organic hybrid nanoparticle photoresists with different surface functional groups

    KAUST Repository

    Li, Li

    2016-01-01

    © 2016 The Royal Society of Chemistry. The solubility behavior of Hf and Zr based hybrid nanoparticles with different surface ligands in different concentrations of photoacid generator as potential EUV photoresists was investigated in detail. The nanoparticles regardless of core or ligand chemistry have a hydrodynamic diameter of 2-3 nm and a very narrow size distribution in organic solvents. The Hansen solubility parameters for nanoparticles functionalized with IBA and 2MBA have the highest contribution from the dispersion interaction than those with tDMA and MAA, which show more polar character. The nanoparticles functionalized with unsaturated surface ligands showed more apparent solubility changes after exposure to DUV than those with saturated ones. The solubility differences after exposure are more pronounced for films containing a higher amount of photoacid generator. The work reported here provides material selection criteria and processing strategies for the design of high performance EUV photoresists.

  15. Enhancement of the photocatalytic activity of TiO2 nanoparticles by surface-capping DBS groups

    International Nuclear Information System (INIS)

    Wang Baiqi; Jing Liqiang; Qu Yichun; Li Shudan; Jiang Baojiang; Yang Libin; Xin Baifu; Fu Honggang

    2006-01-01

    TiO 2 nanoparticles capped with sodium dodecylbenzenesulfonate (DBS) are synthesized by a sol-hydrothermal process using tetrabutyl titanate and DBS as raw materials. The effects of surface-capping DBS on the surface photovoltage spectroscopy (SPS), photoluminescence (PL) and photocatalytic performance of TiO 2 nanoparticles are principally investigated together with their relationships. The results show that the surface of TiO 2 nanoparticles can be well capped by DBS groups while the pH value and added DBS amount are controlled at 5.0 and 2% of TiO 2 mass weight, respectively, and the linkage between DBS groups and TiO 2 surfaces is mainly by means of quasi-sulphonate bond. The intensities of SPS and PL spectra of TiO 2 obviously decrease after DBS-capping, while the activity can greatly increase during the photocatalytic degradation of Rhodamine B (RhB) solution, which are mainly attributed to the electron-withdrawing character of the DBS groups. Moreover, the enhancement of photocatalytic activity of DBS-capped TiO 2 is also related to the increase in the capability for adsorbing RhB

  16. The influence of oxygen and hydrogen adsorption on the magneticstructure of the ultrathin iron film on the Ir(001) surface

    Czech Academy of Sciences Publication Activity Database

    Máca, František; Kudrnovský, Josef; Drchal, Václav; Redinger, J.

    2013-01-01

    Roč. 88, č. 4 (2013), "045423-1"-"045423-7" ISSN 1098-0121 R&D Projects: GA AV ČR IAA100100912; GA ČR GA202/09/0775 Institutional support: RVO:68378271 Keywords : surface magnetism * magnetic overlayer * gas adsorption * magnetic phase stability * density functional calculation * STM Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.664, year: 2013

  17. Formation of halo-structures in oxygen isotopes through change of occupancy of levels near Fermi surface

    International Nuclear Information System (INIS)

    Bhattacharya, Rupayan

    2000-01-01

    Recently a new parametrisation of Skyrme interaction has been formulated in order to study the level inversions of A=9 isobars. The role of occupancy of 2s 1/2 level in determining the halo structures of O, N, C, B and Be nuclei was shown. A thorough investigation on the binding energies, rms charge, neutron and matter distribution and occupation probabilities of levels near the Fermi surface has been done in the present work

  18. Model polymer etching and surface modification by a time modulated RF plasma jet: role of atomic oxygen and water vapor

    International Nuclear Information System (INIS)

    Luan, P; Knoll, A J; Wang, H; Oehrlein, G S; Kondeti, V S S K; Bruggeman, P J

    2017-01-01

    The surface interaction of a well-characterized time modulated radio frequency (RF) plasma jet with polystyrene, poly(methyl methacrylate) and poly(vinyl alcohol) as model polymers is investigated. The RF plasma jet shows fast polymer etching but mild chemical modification with a characteristic carbonate ester and NO formation on the etched surface. By varying the plasma treatment conditions including feed gas composition, environment gaseous composition, and treatment distance, we find that short lived species, especially atomic O for Ar/1% O 2 and 1% air plasma and OH for Ar/1% H 2 O plasma, play an essential role for polymer etching. For O 2 containing plasma, we find that atomic O initiates polymer etching and the etching depth mirrors the measured decay of O atoms in the gas phase as the nozzle-surface distance increases. The etching reaction probability of an O atom ranging from 10 −4 to 10 −3 is consistent with low pressure plasma research. We also find that adding O 2 and H 2 O simultaneously into Ar feed gas quenches polymer etching compared to adding them separately which suggests the reduction of O and OH density in Ar/O 2 /H 2 O plasma. (letter)

  19. Activity of type i methanotrophs dominates under high methane concentration: Methanotrophic activity in slurry surface crusts as influenced by methane, oxygen, and inorganic nitrogen

    DEFF Research Database (Denmark)

    Duan, Yun Feng; Reinsch, Sabine; Ambus, Per

    2017-01-01

    Livestock slurry is a major source of atmospheric methane (CH4), but surface crusts harboring methane-oxidizing bacteria (MOB) could mediate against CH4 emissions. This study examined conditions for CH4 oxidation by in situ measurements of oxygen (O2) and nitrous oxide (N2O), as a proxy...... for inorganic N transformations, in intact crusts using microsensors. This was combined with laboratory incubations of crust material to investigate the effects of O2, CH4, and inorganic N on CH4 oxidation, using 13CH4 to trace C incorporation into lipids of MOB. Oxygen penetration into the crust was 2 to 14 mm......, confining the potential for aerobic CH4 oxidation to a shallow layer. Nitrous oxide accumulated within or below the zone of O2 depletion. With 102 ppmv CH4 there was no O2 limitation on CH4 oxidation at O2 concentrations as low as 2%, whereas CH4 oxidation at 104 ppmv CH4 was reduced at =5% O2...

  20. Lateral ordering of PTCDA on the clean and the oxygen pre-covered Cu(100) surface investigated by scanning tunneling microscopy and low energy electron diffraction.

    Science.gov (United States)

    Gärtner, Stefan; Fiedler, Benjamin; Bauer, Oliver; Marele, Antonela; Sokolowski, Moritz M

    2014-01-01

    We have investigated the adsorption of perylene-3,4,9,10-tetracarboxylic acid dianhydride (PTCDA) on the clean and on the oxygen pre-covered Cu(100) surface [referred to as (√2 × 2√2)R45° - 2O/Cu(100)] by scanning tunneling microscopy (STM) and low energy electron diffraction (LEED). Our results confirm the (4√2 × 5√2)R45° superstructure of PTCDA/Cu(100) reported by A. Schmidt et al. [J. Phys. Chem. 1995, 99,11770-11779]. However, contrary to Schmidt et al., we have no indication for a dissociation of the PTCDA upon adsorption, and we propose a detailed structure model with two intact PTCDA molecules within the unit cell. Domains of high lateral order are obtained, if the deposition is performed at 400 K. For deposition at room temperature, a significant density of nucleation defects is found pointing to a strong interaction of PTCDA with Cu(100). Quite differently, after preadsorption of oxygen and formation of the (√2 × 2√2)R45° - 2O/Cu(100) superstructure on Cu(100), PTCDA forms an incommensurate monolayer with a structure that corresponds well to that of PTCDA bulk lattice planes.

  1. Retrieving aerosol height from the oxygen A band: a fast forward operator and sensitivity study concerning spectral resolution, instrumental noise, and surface inhomogeneity

    Science.gov (United States)

    Hollstein, A.; Fischer, J.

    2014-05-01

    Hyperspectral radiance measurements in the oxygen A band are sensitive to the vertical distribution of atmospheric scatterers, which in principle allows the retrieval of aerosol height from future instruments like TROPOMI, OCO2, FLEX, and CarbonSat. Discussed in this paper is a fast and flexible forward operator for the simulation of hyperspectral radiances in the oxygen A band and, based on this scheme, a sensitivity study about the inversion quality of aerosol optical thickness, aerosol mean height, and aerosol type. The forward operator is based on a lookup table with efficient data compression based on principal component analysis. Linear interpolation and computation of partial derivatives is performed in the much smaller space of expansion coefficients rather than wavelength. Thus, this approach is computationally fast and, at the same time, memory efficient. The sensitivity study explores the impact of instrument design on the retrieval of aerosol optical thickness and aerosol height. Considered are signal to noise ratio, spectral resolution, and spectral sampling. Also taken into account are surface inhomogeneities and variations of the aerosol type.

  2. Comment on Group Velocity Measurement of Surfac Waves by Wavelet Transform

    Directory of Open Access Journals (Sweden)

    Taishi Okamoto

    2007-01-01

    Full Text Available Yamada and Yomogida (1997 applied the discrete wavelet transform (DWT to group velocity measurements for the first time. Although their study is one of the pioneering works in application of DWT to seismological analysis, their method gives an inaccurate value as a group velocity in some cases and requires modification. In this report, we point out the problem and propose a modified DWT method for overcoming the problem. In our method, DWT is carried out not for an analysed signal itself but for its complex envelope (Farnbach 1975. A computation algorithm for DWT coefficients for our method is given and shown to be almost the same as that by Yamada and Ohkitani (1991. The influence of the difference between the conventional method and our method on identification of group arrival times of a wave is also shown by a numerical experiment. If analysts want to identify group arrival times using DWT, our method must be adopted instead of the conventional method.

  3. A chord diagrammatic presentation of the mapping class group of a once bordered surface

    DEFF Research Database (Denmark)

    Bene, Alex

    2010-01-01

    The Ptolemy groupoid is a combinatorial groupoid generated by elementary moves on marked trivalent fatgraphs with three types of relations. Through the fatgraph decomposition of Teichmüller space, the Ptolemy groupoid is a mapping class group equivariant subgroupoid of the fundamental path groupo...

  4. The Exponential Map of the Group of Area-Preserving Diffeomorphisms of a Surface with Boundary

    Science.gov (United States)

    Benn, James; Misiołek, Gerard; Preston, Stephen C.

    2018-03-01

    We prove that the Riemannian exponential map of the right-invariant L 2 metric on the group of volume-preserving diffeomorphisms of a two-dimensional manifold with a nonempty boundary is a nonlinear Fredholm map of index zero.

  5. XPS and FTIR investigation of the surface properties of different prepared titania nano-powders

    DEFF Research Database (Denmark)

    Jensen, Henrik; Solovyev, Alexey; Lie, Zheshen

    2005-01-01

    Surface studies of nano-sized TiO2 powders prepared by different methods showed that the preparation method had great impact on the surface properties. XPS measurements showed that the oxygen composition was related to the preparation method. The chloride method yielded the lowest amount of surface...... oxygen (29%) and sol–gel prepared powder showed the greatest amount of surface oxygen (66%) in the form of surface hydroxyl groups. The remaining oxygen was identified as lattice oxygen. The powder prepared by the sol–gel method contained carbon impurities originating from residual alkoxy groups....... Supercritical sol–gel prepared powder and powder prepared by the sulphate method revealed same trends regarding oxygen composition with 44–47% being surface oxygen; neither contained carbon impurities. The results obtained from XPS were confirmed by FTIR measurements....

  6. On the lipid head group hydration of floating surface monolayers bound to self-assembled molecular protein layers

    DEFF Research Database (Denmark)

    Lösche, M.; Erdelen, C.; Rump, E.

    1994-01-01

    The structure of monomolecular layers of the protein streptavidin, specifically bound to biotin-functionalized lipid monolayers at aqueous surfaces, has been characterized. Neutron and X-ray reflectivity measurements allowed an assessment of the organization of these self-assembled systems...... with molecular resolution. Emphasis here is placed on the hydration of the lipid head groups in the bound state. For three functionalized lipids with spacers of different lengths between the biotin and their chains it was observed that the head groups were dehydrated in monolayers of the pure lipids, which were...... kept at low surface pressure before protein adsorption. The introduction of dipole moments at the interface by the admixture of phospholipids or the application of lateral pressure on the lipid monolayer before protein adsorption were found to impose an extension of the spacer moieties. The biotin...

  7. An X-ray photoelectron spectroscopy study of the influence of hydrogen on the oxygen-silver interaction

    NARCIS (Netherlands)

    Lefferts, Leon; Van Ommen, Jan G.; Ross, Julian R H

    1987-01-01

    Hydrogen treatment of a pure silver catalyst before adsorption of oxygen influences the position and form of the O(1s) peak of the X-ray photoelectron spectra. It is possible that both the formation of sub-surface OH groups and an increase in the concentration of sub-surface oxygen, found to be of

  8. 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.

  9. Multiscale atomistic simulation of metal-oxygen surface interactions: Methodological development, theoretical investigation, and correlation with experiment

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Judith C. [Univ. of Pittsburgh, Pittsburgh, PA (United States)

    2015-01-09

    The purpose of this grant is to develop the multi-scale theoretical methods to describe the nanoscale oxidation of metal thin films, as the PI (Yang) extensive previous experience in the experimental elucidation of the initial stages of Cu oxidation by primarily in situ transmission electron microscopy methods. Through the use and development of computational tools at varying length (and time) scales, from atomistic quantum mechanical calculation, force field mesoscale simulations, to large scale Kinetic Monte Carlo (KMC) modeling, the fundamental underpinings of the initial stages of Cu oxidation have been elucidated. The development of computational modeling tools allows for accelerated materials discovery. The theoretical tools developed from this program impact a wide range of technologies that depend on surface reactions, including corrosion, catalysis, and nanomaterials fabrication.

  10. Attempts to comprehend Martian surface processes through interpretation of the oxygen isotopic compositions of carbonates in SNC meteorites

    Science.gov (United States)

    Wright, I. P.; Pillinger, C. T.; Grady, Monica M.

    1992-01-01

    The SNC meteorites are known to contain trace quantities of a variety of secondary minerals such as carbonates, sulfates, and aluminosilicates. Since these constituents are thought to be mostly preterrestrial in origin, their study has the potential to provide rigorous constraints on the nature of martian weathering processes. However, this line of investigation is potentially complicated by the presence within the meteorite samples of any additional weathering products produced by terrestrial processes. Examination of such terrestrial components is important since weathering processes that affect meteorite samples following their fall to Earth might have some bearing on the nature of analogous processes at the surface of Mars. It is obviously necessary to try and distinguish which secondary components in SNC meteorites are terrestrial in origin from those that are preterrestrial. Herein consideration is made of the stable isotopic compositions of weathering products in two SNC meteorites: EET A79001 (a sample collected from Antarctica) and Nakhla (a fall from Egypt, 1911).

  11. Atomic Oxygen (ATOX) simulation of Teflon FEP and Kapton H surfaces using a high intensity, low energy, mass selected, ion beam facility

    Science.gov (United States)

    Vered, R.; Grossman, E.; Lempert, G. D.; Lifshitz, Y.

    1994-11-01

    A high intensity (greater than 10(exp 15) ions/sq cm) low energy (down to 5 eV) mass selected ion beam (MSIB) facility was used to study the effects of ATOX on two polymers commonly used for space applications (Kapton H and Teflon FEP). The polymers were exposed to O(+) and Ne(+) fluences on 10(exp 15) - 10(exp 19) ions/sq cm, using 30eV ions. A variety of analytical methods were used to analyze the eroded surfaces including: (1) atomic force microscopy (AFM) for morphology measurements; (2) total mass loss measurements using a microbalance; (3) surface chemical composition using x-ray photoelectron spectroscopy (XPS), and (4) residual gas analysis (RGA) of the released gases during bombardment. The relative significance of the collisional and chemical degradation processes was evaluated by comparing the effects of Ne(+) and O(+) bombardment. For 30 eV ions it was found that the Kapton is eroded via chemical mechanisms while Teflon FEP is eroded via collisional mechanisms. AFM analysis was found very powerful in revealing the evolution of the damage from its initial atomic scale (roughness of approx. 1 nm) to its final microscopic scale (roughness greater than 1 micron). Both the surface morphology and the average roughness of the bombarded surfaces (averaged over 1 micron x 1 micron images by the system's computer) were determined for each sample. For 30 eV a non linear increase of the Kapton roughness with the O(+) fluence was discovered (a slow increase rate for fluences phi less than 5 x 10(exp 17) O(+)/sq cm, and a rapid increase rate for phi greater than 5 x 10(exp 17) O(+)/sq cm). Comparative studies on the same materials exposed to RF and DC oxygen plasmas indicate that the specific details of the erosion depend on the simulation facility emphasizing the advantages of the ion beam facility.

  12. Progress in the synthesis and characterization of magnetite nanoparticles with amino groups on the surface

    International Nuclear Information System (INIS)

    Durdureanu-Angheluta, A.; Dascalu, A.; Fifere, A.; Coroaba, A.; Pricop, L.; Chiriac, H.; Tura, V.; Pinteala, M.; Simionescu, B.C.

    2012-01-01

    This manuscript deals with the synthesis of new hydrophilic magnetite particles by employing a two-step method: in the first step magnetite particles with hydrophobic shell formed in presence of oleic acid–oleylamine complex through a synthesis in mass, without solvent, in a mortar with pestle were obtained; while in the second step the hydrophobic shell was interchanged with an aminosilane monomer. The influence of the Fe 2+ /Fe 3+ molar ratio on the dimension of the particles of high importance for their potential applications was carefully investigated. This paper, also presents an alternative method of synthesis of new core-shell magnetite particles and the complete study of their structure and morphology by FT-IR, XPS, TGA, ESEM and TEM techniques. The rheological properties and magnetization analysis of high importance for magnetic particles were also investigated. - Highlights: ► Magnetite particles are superparamagnetic materials. ► Magnetite has significant role in nanotechnology due to surface properties and applicability in physical and chemical processes. ► We used an ecological method of synthesis, a reaction in mass, without solvent, in a mortar with pestle. ► We prepared hydrophilic magnetite particles, precursors for biomedical applications.

  13. Surface Reduced CeO2 Nanowires for Direct Conversion of CO2 and Methanol to Dimethyl Carbonate: Catalytic Performance and Role of Oxygen Vacancy

    Directory of Open Access Journals (Sweden)

    Zhongwei Fu

    2018-04-01

    Full Text Available Ultralong 1D CeO2 nanowires were synthesized via an advanced solvothermal method, surface reduced under H2 atmosphere, and first applied in direct synthesis of dimethyl carbonate (DMC from CO2 and CH3OH. The micro morphologies, physical parameters of nanowires were fully investigated by transmission electron microscopy (TEM, X-ray diffraction (XRD, N2 adsorption, X-ray photoelectron spectrum (XPS, and temperature-programmed desorption of ammonia/carbon dioxide (NH3-TPD/CO2-TPD. The effects of surface oxygen vacancy and acidic/alkaline sites on the catalytic activity was explored. After reduction, the acidic/alkaline sites of CeO2 nanowires can be dramatically improved and evidently raised the catalytic performance. CeO2 nanowires reduced at 500 °C (CeO2_NW_500 exhibited notably superior activity with DMC yield of 16.85 mmol gcat−1. Furthermore, kinetic insights of initial rate were carried out and the apparent activation energy barrier of CeO2_NW_500 catalyst was found to be 41.9 kJ/mol, much tiny than that of CeO2_NW catalyst (74.7 KJ/mol.

  14. Oxygen Therapy

    Science.gov (United States)

    ... oxygen at very high altitudes (like in the mountains or in an airplane) even if you do ... an arterial blood gas (ABG) measurement. The ABG measures your oxygen level directly from your blood and ...

  15. Planktonic foraminiferal oxygen isotope analysis by ion microprobe technique suggests warm tropical sea surface temperatures during the Early Paleogene

    Science.gov (United States)

    Kozdon, Reinhard; Kelly, D. Clay; Kita, Noriko T.; Fournelle, John H.; Valley, John W.

    2011-09-01

    Cool tropical sea surface temperatures (SSTs) are reported for warm Paleogene greenhouse climates based on the δ18O of planktonic foraminiferal tests. These results are difficult to reconcile with models of greenhouse gas-forced climate. It has been suggested that this "cool tropics paradox" arises from postdepositional alteration of foraminiferal calcite, yielding erroneously high δ18O values. Recrystallization of foraminiferal tests is cryptic and difficult to quantify, and the compilation of robust δ18O records from moderately altered material remains challenging. Scanning electron microscopy of planktonic foraminiferal chamber-wall cross sections reveals that the basal area of muricae, pustular outgrowths on the chamber walls of species belonging to the genus Morozovella, contain no mural pores and may be less susceptible to postdepositional alteration. We analyzed the δ18O in muricae bases of morozovellids from the central Pacific (Ocean Drilling Program Site 865) by ion microprobe using 10 μm pits with an analytical reproducibility of ±0.34‰ (2 standard deviations). In situ measurements of δ18O in these domains yield consistently lower values than those published for conventional multispecimen analyses. Assuming that the original δ18O is largely preserved in the basal areas of muricae, this new δ18O record indicates Early Paleogene (˜49-56 Ma) tropical SSTs in the central Pacific were 4°-8°C higher than inferred from the previously published δ18O record and that SSTs reached at least ˜33°C during the Paleocene-Eocene thermal maximum. This study demonstrates the utility of ion microprobe analysis for generating more reliable paleoclimate records from moderately altered foraminiferal tests preserved in deep-sea sediments.

  16. Universality in Nonaqueous Alkali Oxygen Reduction on Metal Surfaces: Implications for Li−O2 and Na−O2 Batteries

    DEFF Research Database (Denmark)

    Krishnamurthy, Dilip; Hansen, Heine Anton; Viswanathan, Venkatasubramanian

    2016-01-01

    Nonaqueous metal−oxygen batteries, particularly lithium−oxygen and sodium−oxygen, have emerged as possible high energy density alternatives to Li-ion batteries that could address the limited driving range issues faced by electric vehicles. Many fundamental questions remain unanswered, including t...

  17. Facile Preparation of Ultrathin Co3 O4 /Nanocarbon Composites with Greatly Improved Surface Activity as a Highly Efficient Oxygen Evolution Reaction Catalyst.

    Science.gov (United States)

    Chen, Yanyan; Hu, Jun; Diao, Honglin; Luo, Wenjing; Song, Yu-Fei

    2017-03-17

    The efficient catalytic oxidation of water to dioxygen plays a significant role in solar fuel and artificial photosynthetic systems. It remains highly challenging to develop oxygen evolution reaction (OER) catalysts with high activity and low cost under mild conditions. Here, a new composite material is reported based on ultrathin 2D Co 3 O 4 nanosheets and reduced graphene oxides (rGO) by means of a one-pot hydrothermal strategy. The ultrathin Co 3 O 4 /rGO nanocomposite shows superior stability under alkaline conditions and exhibits an overpotential of 290 mV with a Tafel slope of 68 mA dec -1 , which is much smaller than that of bare Co 3 O 4 catalyst. Extensive experiments were also carried out using 0D CS and 1D CNTs (CS=carbon spheres, CNTs=carbon nanotubes) in place of the 2D rGO. The overpotentials of as-prepared nanocomposites decrease with the increase of the dimension of nanocarbons, suggesting the electrochemistry activity is closely related to the surface area of carbon substrates. In addition, compared with ultrathin 2D Co 3 O 4 nanosheets with a Co 2+ /Co 3+ ratio of 1.2, the as-prepared ultrathin Co 3 O 4 /rGO nanocomposite with a Co 2+ /Co 3+ ratio of 1.4 contributes to the better OER performance as more oxygen vacancies can be formed in the ultrathin Co 3 O 4 /rGO nanocomposite under the experimental conditions. Compared with other Co 3 O 4 -containing composite materials reported so far, the ultrathin Co 3 O 4 /rGO nanocomposites show excellent OER performance. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Stability issues in Pd-based catalysts: the role of surface Pt in improving the stability and oxygen reduction reaction (ORR) activity.

    Science.gov (United States)

    Singh, R K; Rahul, R; Neergat, M

    2013-08-21

    Carbon-supported Pd and Pd3Co catalysts have been electrochemically characterized in 0.1 M HClO4 solution and we found that both catalysts were unstable. On repeated potential cycling, the electrochemical surface area of the catalysts decreases and the oxygen reduction reaction (ORR) activity suffers. To stabilize surface Pd atoms of both Pd and Pd3Co catalysts, we deposited Pt using adsorbed hydrogen on the catalytically active Pd sites. The Pt : Pd ratio of Pt-coated Pd and Pt-coated Pd3Co catalysts suggests half-a-monolayer coverage of Pt (two hydrogen atoms required for reducing a Pt(2+) ion). The Pt : Pd ratio of Pt-coated Pd3Co catalyst obtained from the simple geometrical hard sphere model, energy-dispersive X-ray spectroscopy (EDS) line scan and bulk EDS agrees very well with that calculated from the hydrogen desorption (H(des)) charge of Pd3Co. At the same time, the Pt : Pd ratio of Pt-coated Pd calculated from the H(des) charge of Pd catalyst is significantly lower than the ratio obtained from the other methods. Thus, the Pt : Pd ratio of the Pt-coated Pd catalyst estimated from the H(des) region of Pd is an underestimation of the composition. This suggests that Pd forms an electrochemically inactive species from the H(upd) region itself and Co in Pd3Co seems to stabilize Pd against oxidation by delaying the formation of electrochemically inactive species to higher potentials above the H(upd) region. The voltammograms along with the peroxide formation characteristics of the catalysts support the above observations. The deposited Pt on the surface of the Pd and Pd3Co catalysts masks active Pd sites from the electrochemical environment and even partial coverage with Pt improves the stability and ORR activity of the catalysts when compared to that of the respective Pt-free counterparts.

  19. Surface radiological investigation of Trench 5 in Waste Area Grouping 7 at Oak Ridge National Laboratory, Oak Ridge, Tennessee

    International Nuclear Information System (INIS)

    Goff, D.D.

    1991-08-01

    A surface radiological investigation of areas encompassing Trench 5 on the Oak Ridge Reservation (ORR) was conducted from May 1990 through November 1990. This survey was led by the author, assisted by various members of the Measurement Applications and Development (MAD) group of the Health and Safety Research Division (HASRD) of Oak Ridge National Laboratory (ORNL) in Oak Ridge, Tennessee. The purpose of the investigation was to determine the presence, nature, and extent of surface radiological contamination at Trench 5, the Homogeneous Reactor Experiment fuel wells, and surrounding areas. Based on the data obtained in the field, interim corrective measures were recommended to limit human exposure to radioactivity and to minimize insult to the environment. It should be stressed that this project was not intended to be a complete site characterization but rather to be a preliminary investigation into the potential contamination problem that might exist as a result of past operations at Trench 5

  20. Surface radiological investigation of Trench 5 in Waste Area Grouping 7 at Oak Ridge National Laboratory, Oak Ridge, Tennessee

    Energy Technology Data Exchange (ETDEWEB)

    Goff, D.D.

    1991-08-01

    A surface radiological investigation of areas encompassing Trench 5 on the Oak Ridge Reservation (ORR) was conducted from May 1990 through November 1990. This survey was led by the author, assisted by various members of the Measurement Applications and Development (MAD) group of the Health and Safety Research Division (HASRD) of Oak Ridge National Laboratory (ORNL) in Oak Ridge, Tennessee. The purpose of the investigation was to determine the presence, nature, and extent of surface radiological contamination at Trench 5, the Homogeneous Reactor Experiment fuel wells, and surrounding areas. Based on the data obtained in the field, interim corrective measures were recommended to limit human exposure to radioactivity and to minimize insult to the environment. It should be stressed that this project was not intended to be a complete site characterization but rather to be a preliminary investigation into the potential contamination problem that might exist as a result of past operations at Trench 5.

  1. Skidding accidents : considerations on road surface and vehicle characteristics : summary of the present situation. Provisional recommendation concerning skidding resistance of road surfaces investigation programme. Interim report of the SWOV Working Group "Tyres, road surfaces and skidding accidents"

    NARCIS (Netherlands)

    SWOV Working Group "Tyres, road surfaces and skidding accidents"

    1970-01-01

    This is the first report of SWOV Working Group "Tyres, road surfaces and skidding accidents". Skidding is considered to be an important contributory factor in traffic accidents. Skidding can in principle be prevented in two ways, viz: (1) reduction of the minimum necessary friction, and (2)

  2. Operable Unit 3-13, Group 3, Other Surface Soils Remediation Sets 4-6 (Phase II) Waste Management Plan

    International Nuclear Information System (INIS)

    G. L. Schwendiman

    2006-01-01

    This Waste Management Plan describes waste management and waste minimization activities for Group 3, Other Surface Soils Remediation Sets 4-6 (Phase II) at the Idaho Nuclear Technology and Engineering Center located within the Idaho National Laboratory. The waste management activities described in this plan support the selected response action presented in the Final Record of Decision for Idaho Nuclear Technology and Engineering Center, Operable Unit 3-13. This plan identifies the waste streams that will be generated during implementation of the remedial action and presents plans for waste minimization, waste management strategies, and waste disposition

  3. Group method analysis of mixed convection stagnation-point flow of non-Newtonian nanofluid over a vertical stretching surface

    Science.gov (United States)

    Nabwey, Hossam A.; Boumazgour, Mohamed; Rashad, A. M.

    2017-07-01

    The group method analysis is applied to study the steady mixed convection stagnation-point flow of a non-Newtonian nanofluid towards a vertical stretching surface. The model utilized for the nanofluid incorporates the Brownian motion and thermophoresis effects. Applying the one-parameter transformation group which reduces the number of independent variables by one and thus, the system of governing partial differential equations has been converted to a set of nonlinear ordinary differential equations, and these equations are then computed numerically using the implicit finite-difference scheme. Comparison with previously published studies is executed and the results are found to be in excellent agreement. Results for the velocity, temperature, and the nanoparticle volume fraction profiles as well as the local skin-friction coefficient and local Nusselt number are presented in graphical and tabular forms, and discussed for different values of the governing parameters to show interesting features of the solutions.

  4. Operando XAS Study of the Surface Oxidation State on a Monolayer IrOx on RuOx and Ru Oxide Based Nanoparticles for Oxygen Evolution in Acidic Media

    DEFF Research Database (Denmark)

    Pedersen, Anders Filsøe; Escribano, Maria Escudero; Sebok, Bela

    2017-01-01

    that the average Ir oxidation state change is strongly affected by the coverage of atomic O. The observed shifts in oxidation state suggest that the surface has a high coverage of O at potentials just below the potential where oxygen evolution is exergonic in free energy. This observation is consistent...

  5. Examining Patients' and Other Group Members' Agreement about Their Alliance to the Group as a Whole and Changes in Patient Symptoms Using Response Surface Analysis

    Science.gov (United States)

    Lo Coco, Gianluca; Gullo, Salvatore; Kivlighan, Dennis M., Jr.

    2012-01-01

    There is a lack of research examining patients' and other group members' agreement about their therapeutic alliance. In the present study, the person-group (P-G) fit model was adopted to predict that the group member symptom reduction will be greater when the group member's and the other group members' perceptions of their alliance to the…

  6. Specific effects of surface carboxyl groups on anionic polystyrene particles in their interactions with mesenchymal stem cells

    Science.gov (United States)

    Jiang, Xiue; Musyanovych, Anna; Röcker, Carlheinz; Landfester, Katharina; Mailänder, Volker; Nienhaus, G. Ulrich

    2011-05-01

    Nanoparticle uptake by living cells is governed by chemical interactions between functional groups on the nanoparticle as well as the receptors on cell surfaces. Here we have investigated the uptake of anionic polystyrene (PS) nanoparticles of ~100 nm diameter by mesenchymal stem cells (MSCs) using spinning-disk confocal optical microscopy combined with a quantitative analysis of the fluorescence images. Two types of anionic PS nanoparticles with essentially identical sizes and ζ-potentials were employed in this study, carboxyl-functionalized nanoparticles (CPS) and plain PS nanoparticles, both coated with anionic detergent for stabilization. CPS nanoparticles were observed to internalize more rapidly and accumulate to a much higher level than plain PS nanoparticles. The relative importance of different uptake mechanisms for the two types of nanoparticles was investigated by using specific inhibitors. CPS nanoparticles were internalized mainly via the clathrin-mediated mechanism, whereas plain PS nanoparticles mainly utilized the macropinocytosis pathway. The pronounced difference in the internalization behavior of CPS and plain PS nanoparticles points to a specific interaction of the carboxyl group with receptors on the cell surface.

  7. New Perfluoroalkylated Amphiphilic Methacrylates Bearing Sulfinyl Group as Monomers for Biomedical Applications: Water Content and Oxygen Permeability of their Copolymers with DEGMA

    Czech Academy of Sciences Publication Activity Database

    Církva, Vladimír; Duchek, J.; Kaplánek, R.; Paleta, O.; Michálek, Jiří; Přádný, Martin; Chmelíková, Dana; Wichterlová, J.

    2006-01-01

    Roč. 41, č. 11 (2006), s. 1320-1326 ISSN 0223-5234 R&D Projects: GA ČR GA106/00/1296; GA ČR GA203/02/0306 Institutional research plan: CEZ:AV0Z40720504; CEZ:AV0Z40500505 Keywords : poly(fluoroalkylsulfinyl methacrylates) * DEGMA copolymers * Oxygen permeability Subject RIV: CC - Organic Chemistry Impact factor: 2.187, year: 2006

  8. Stable isotope oxygen-18 and deuterium analysis in surface and groundwater of the Jequitibá Creek Basin, Sete Lagoas, MG

    Energy Technology Data Exchange (ETDEWEB)

    Linhares, Giovanna Maria Gardini; Moreira, Rubens Martins; Pimenta, Rafael Colombo; Scarpelli, Raquel Pazzini; Santos, Elizangela Augusta dos, E-mail: giovannagardini@gmail.com, E-mail: rubens@cdtn.br, E-mail: colombopimenta@gmail.com, E-mail: raquelscarpelli@gmail.com, E-mail: elizangela.augusta@gmail.com [Centro de Desenvolvimento da Tecnologia Nuclear (CDTN/CNEN-MG), Belo Horizonte, MG (Brazil)

    2017-07-01

    Groundwater is an important source of public and industrial supplies, and inadequate exploitation of water reflects negatively on its quality and production of wells, especially when located in karstic aquifers. The study area includes the Maize and Sorghum National Research / Embrapa, located in the karst region of Sete Lagoas, within of the Jequitibá creek sub-basin, an affluent of the Velhas River. The evaluation of the content of stable isotopes of hydrogen ({sup 2}H), or deuterium, and oxygen ({sup 18}O) of surface waters (lagoons) and groundwater (production and monitoring wells) collected from the study area allowed to know directly the origin of these waters, active climatic processes and interactions between different aquifers and surface bodies, as possible mixtures of water from different sources. The collected samples were analyzed by isotopic ratio mass spectrometry, IRMS Advantege - Thermo Science, from the Center for the Development of Nuclear Technology (CDTN). The mean values found for δ{sup 18}O and δ{sup 2}H in the waters of the monitoring wells were -6.40‰ and -43.21‰, respectively. For the production wells, mean values for δ{sup 18}O and δ{sup 2}H of -5.87 ‰ and -40.09‰, respectively, were obtained. When compared to GMWL, the collected groundwater originates attributed to the precipitations. The lagoon waters had mean values for δ{sup 18}O and δ{sup 2}H of -3.73‰ and -30.08‰. The water collected in the crystalline fissured aquifer presented mean values δ{sup 18}O and δ{sup 2}H of -6.91‰ and -40.26 ‰ respectively, in its rockier portion, and -6.09‰ and -43.05‰. (author)

  9. Stable isotope oxygen-18 and deuterium analysis in surface and groundwater of the Jequitibá Creek Basin, Sete Lagoas, MG

    International Nuclear Information System (INIS)

    Linhares, Giovanna Maria Gardini; Moreira, Rubens Martins; Pimenta, Rafael Colombo; Scarpelli, Raquel Pazzini; Santos, Elizangela Augusta dos

    2017-01-01

    Groundwater is an important source of public and industrial supplies, and inadequate exploitation of water reflects negatively on its quality and production of wells, especially when located in karstic aquifers. The study area includes the Maize and Sorghum National Research / Embrapa, located in the karst region of Sete Lagoas, within of the Jequitibá creek sub-basin, an affluent of the Velhas River. The evaluation of the content of stable isotopes of hydrogen ( 2 H), or deuterium, and oxygen ( 18 O) of surface waters (lagoons) and groundwater (production and monitoring wells) collected from the study area allowed to know directly the origin of these waters, active climatic processes and interactions between different aquifers and surface bodies, as possible mixtures of water from different sources. The collected samples were analyzed by isotopic ratio mass spectrometry, IRMS Advantege - Thermo Science, from the Center for the Development of Nuclear Technology (CDTN). The mean values found for δ 18 O and δ 2 H in the waters of the monitoring wells were -6.40‰ and -43.21‰, respectively. For the production wells, mean values for δ 18 O and δ 2 H of -5.87 ‰ and -40.09‰, respectively, were obtained. When compared to GMWL, the collected groundwater originates attributed to the precipitations. The lagoon waters had mean values for δ 18 O and δ 2 H of -3.73‰ and -30.08‰. The water collected in the crystalline fissured aquifer presented mean values δ 18 O and δ 2 H of -6.91‰ and -40.26 ‰ respectively, in its rockier portion, and -6.09‰ and -43.05‰. (author)

  10. Investigation of oxygen reduction and methanol oxidation reaction activity of PtAu nano-alloy on surface modified porous hybrid nanocarbon supports

    Science.gov (United States)

    Parambath Vinayan, Bhaghavathi; Nagar, Rupali; Ramaprabhu, Sundara

    2016-09-01

    We investigate the electrocatalytic activity of PtAu alloy nanoparticles supported on various chemically modified carbon morphologies towards oxygen reduction reaction (ORR) and methanol oxidation reaction (MOR). The surface-modification of graphene nanosheets (f-G), multi-walled carbon nanotubes (f-MWNTs) and (graphene nanosheets-carbon nanotubes) hybrid support (f-G-MWNTs) were carried out by soft functionalization method using a cationic polyelectrolyte poly-(diallyldimethyl ammonium chloride). The Pt and PtAu alloy nanoparticles were dispersed over chemically modified carbon supports by sodium-borohydride assisted modified polyol reduction method. The electrochemical performance of all electrocatalysts were studied by half- and full-cell proton exchange membrane fuel cell (PEMFC) measurements and PtAu/f-G-MWNTs catalyst comparatively yielded the best catalytic performance. PEMFC full cell measurements of PtAu/f-G-MWNTs cathode electrocatalyst yield a maximum power density of 319 mW cm-2 at 60 °C without any back pressure,which is 2.1 times higher than that of cathode electrocatalyst Pt on graphene support. The high ORR and MOR activity of PtAu/f-G-MWNTs electrocatalyst is due to the alloying effect and inherent beneficial properties of porous hybrid nanocarbon support.

  11. Effect of Si Content on Oxide Formation on Surface of Molten Fe-Cr-C Alloy Bath During Oxygen Top Blowing

    Science.gov (United States)

    Mihara, Ryosuke; Gao, Xu; Kim, Sun-joong; Ueda, Shigeru; Shibata, Hiroyuki; Seok, Min Oh; Kitamura, Shin-ya

    2018-02-01

    Using a direct observation experimental method, the oxide formation behavior on the surface of Fe-Cr-5 mass pct C-Si alloy baths during decarburization by a top-blown Ar-O2 mixture was studied. The effects of the initial Si and Cr content of the alloy, temperature, and oxygen feed ratio on oxide formation were investigated. The results showed that, for alloys without Si, oxide particles, unstable oxide films, and stable oxide films formed sequentially. The presence of Si in the alloy changed the formation behavior of stable oxide film, and increased the crucial C content when stable oxide film started to form. Increasing the temperature, decreasing the initial Cr content, and increasing the ratio of the diluting gas decreased the critical C content at which a stable oxide film started to form. In addition, the P CO and a_{{{Cr}2 {O}3 }} values at which oxides started to form were estimated using Hilty's equation and the equilibrium relation to understand the formation conditions and the role of each parameter in oxide formation.

  12. Oxygen vacancies as active sites for water dissociation on rutile TiO2(110)

    DEFF Research Database (Denmark)

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

    2001-01-01

    to dissociate H2O through the transfer of one proton to a nearby oxygen atom, forming two hydroxyl groups for every vacancy. The amount of water dissociation is limited by the density of oxygen vacancies present on the clean surface exclusively. The dissociation process sets in as soon as molecular water......Through an interplay between scanning tunneling microscopy experiments and density functional theory calculations, we determine unambiguously the active surface site responsible for the dissociation of water molecules adsorbed on rutile TiO2(110). Oxygen vacancies in the surface layer are shown...

  13. Quantitative chemical derivatization technique in time-of-flight secondary ion mass spectrometry for surface amine groups on plasma-polymerized ethylenediamine film.

    Science.gov (United States)

    Kim, Jinmo; Shon, Hyun Kyong; Jung, Donggeun; Moon, Dae Won; Han, Sang Yun; Lee, Tae Geol

    2005-07-01

    A chemical derivatization technique in time-of-flight secondary ion mass spectrometry (TOF-SIMS) has been developed to quantify the surface density of amine groups of plasma-polymerized ethylenediamine thin film deposited on a glass surface by inductively coupled plasma chemical vapor deposition. Chemical tags of 4-nitrobenzaldehyde or pentafluorobenzaldehyde were hybridized with the surface amine groups and were detected in TOF-SIMS spectra as characteristic molecular secondary ions. The surface amine density was controlled in a reproducible manner as a function of deposition plasma power and was also quantified using UV-visible spectroscopy. A good linear correlation was observed between the results of TOF-SIMS and UV-visible measurements as a function of plasma power. This shows that the chemical derivatization technique in TOF-SIMS analysis would be useful in quantifying the surface density of specific functional groups that exist on the organic surface.

  14. The Optimisation of the Expression of Recombinant Surface Immunogenic Protein of Group B Streptococcus in Escherichia coli by Response Surface Methodology Improves Humoral Immunity.

    Science.gov (United States)

    Díaz-Dinamarca, Diego A; Jerias, José I; Soto, Daniel A; Soto, Jorge A; Díaz, Natalia V; Leyton, Yessica Y; Villegas, Rodrigo A; Kalergis, Alexis M; Vásquez, Abel E

    2018-03-01

    Group B Streptococcus (GBS) is the leading cause of neonatal meningitis and a common pathogen in livestock and aquaculture industries around the world. Conjugate polysaccharide and protein-based vaccines are under development. The surface immunogenic protein (SIP) is a conserved protein in all GBS serotypes and has been shown to be a good target for vaccine development. The expression of recombinant proteins in Escherichia coli cells has been shown to be useful in the development of vaccines, and the protein purification is a factor affecting their immunogenicity. The response surface methodology (RSM) and Box-Behnken design can optimise the performance in the expression of recombinant proteins. However, the biological effect in mice immunised with an immunogenic protein that is optimised by RSM and purified by low-affinity chromatography is unknown. In this study, we used RSM for the optimisation of the expression of the rSIP, and we evaluated the SIP-specific humoral response and the property to decrease the GBS colonisation in the vaginal tract in female mice. It was observed by NI-NTA chromatography that the RSM increases the yield in the expression of rSIP, generating a better purification process. This improvement in rSIP purification suggests a better induction of IgG anti-SIP immune response and a positive effect in the decreased GBS intravaginal colonisation. The RSM applied to optimise the expression of recombinant proteins with immunogenic capacity is an interesting alternative in the evaluation of vaccines in preclinical phase, which could improve their immune response.

  15. Chemical diffusion and oxygen surface transfer of La1-xSrxCoO3-d studied with electrical conductivity relaxation

    NARCIS (Netherlands)

    van der Haar, L.M.; den Otter, M.W.; Morskate, M.; Bouwmeester, Henricus J.M.; Verweij, H.

    2002-01-01

    The chemical diffusion coefficient and oxygen-transfer coefficients of selected compositions in the series $La_1-xSr_xCoO_3-delta$ were studied using the conductivity relaxation technique. Measurements were performed in the temperature range 600-850°C and oxygen partial pressure $10-4$ to 1 bar.

  16. Vocalization characteristics of North Atlantic right whale surface active groups in the calving habitat, southeastern United States.

    Science.gov (United States)

    Trygonis, Vasilis; Gerstein, Edmund; Moir, Jim; McCulloch, Stephen

    2013-12-01

    Passive acoustic surveys were conducted to assess the vocal behavior of North Atlantic right whales (Eubalaena glacialis) in the designated critical calving habitat along the shallow coastal waters of southeastern United States. Underwater vocalizations were recorded using autonomous buoys deployed in close proximity to surface active groups (SAGs). Nine main vocalization types were identified with manual inspection of spectrograms, and standard acoustic descriptors were extracted. Classification trees were used to examine the distinguishing characteristics of calls and quantify their variability within the SAG vocal repertoire. The results show that descriptors of frequency, bandwidth, and spectral disorder are the most important parameters for partitioning the SAG repertoire, contrary to duration-related measures. The reported source levels and vocalization statistics provide sound production data vital to inform regional passive acoustic monitoring and conservation for this endangered species.

  17. Scientific Opinion on the safety and efficacy of primary aliphatic saturated or unsaturated alcohols/aldehydes/acids/acetals/esters with a second primary, secondary or tertiary oxygenated functional group including aliphatic lactones (chemical group 9) when used as flavourings for all animal species

    OpenAIRE

    EFSA Panel on Additives and Products or Substances used in Animal Feed (FEEDAP)

    2012-01-01

    Chemical group 9 consists of primary aliphatic saturated or unsaturated alcohols/aldehydes/acids/acetals/esters with a second primary, secondary or tertiary oxygenated functional group including aliphatic lactones, of which 30 are currently authorised for use as flavours in food. The FEEDAP Panel was unable to perform an assessment of 2-oxopropanal because of issues related to the purity of the compound. The FEEDAP Panel concludes that lactic acid, succinic acid, fumaric acid, 4-oxov...

  18. Neoproterozoic Oxygenation of Earth Surface Environments Reflected in the Late Evolution of the O2-Dependent Vitamin B12 Biosynthesis Pathway

    Science.gov (United States)

    Saito, M. A.; Bertrand, E. M.; Anbar, A.

    2008-12-01

    There are multiple lines of evidence for a significant rise of O2 in the Earth's atmosphere ~2.4 Ga. A second oxygenation event in the Neoproterozoic is not as well constrained. These changes in environmental redox affected the abundances of bioessential elements. Trace elements such as Co, Fe, and Ni were likely favored in the early evolution of metalloenzymes, prior to the first oxidation event. Consistent with this expectation, vitamin B12 is a Co-containing biomolecule whose biosynthesis is thought to have evolved prior to the origin of oxygenic photosynthesis and the first rise in O2. However, biochemical characterization of the many enzymes involved in B12 biosynthesis has revealed two distinct pathways: an O2-independent pathway and an O2-dependant pathway. The major difference between these pathways involves the timing of the insertion of Co. We examined the amino acid sequences of enzymes in the B12 biosynthesis pathway from a set of 100 phylogenetically diverse microbial genomes, focusing on enzymes exclusive to each pathway as well as enzymes shared by both. Molecular clock and phylogenetic analyses were performed on alignments of the sequences obtained from these study genomes. This approach focused on functional genes rather than the phylogeny of microbes in an attempt to understand the evolution of the pathway itself, rather than its presence in individual phylogenetic groups. Clear differences in age are apparent between representatives of each pathway. The O2-independent pathway and enzymes shared in both pathways show the most ancient last common ancestors. In contrast, the enzymes associated exclusively with the O2-dependent pathway diverged from a common ancestor less than a billion years ago. Phylogenetic analysis suggests that these enzymes were recruited from other biochemical pathways. From these results it seems likely that the evolution of the O2-dependent pathway occurred long after the initial evolution of the B12 biosynthesis. This

  19. Chemical Force Microscopy Study on the Interactions of COOH Functional Groups with Kaolinite Surfaces: Implications for Enhanced Oil Recovery

    Directory of Open Access Journals (Sweden)

    Nipada Santha

    2017-12-01

    Full Text Available Clay–oil interactions play a critical role in determining the wettability of sandstone oil reservoirs, which, in turn, governs the effectiveness of enhanced oil recovery methods. In this study, we have measured the adhesion between –COOH functional groups and the siloxane and aluminol faces of kaolinite clay minerals by means of chemical force microscopy as a function of pH, salinity (from 0.001 M to 1 M and cation identity (Na+ vs. Ca2+. Results from measurements on the siloxane face show that Ca2+ displays a reverse low-salinity effect (adhesion decreasing at higher concentrations at pH 5.5, and a low salinity effect at pH 8. At a constant Ca2+ concentration of 0.001 M, however, an increase in pH leads to larger adhesion. In contrast, a variation in the Na+ concentration showed less effect in varying the adhesion of –COOH groups to the siloxane face. Measurements on the aluminol face showed a reverse low-salinity effect at pH 5.5 in the presence of Ca2+, whereas an increase in pH with constant ion concentration resulted in a decrease in adhesion for both Ca2+ and Na+. Results are explained by looking at the kaolinite’s surface complexation and the protonation state of the functional group, and highlight a more important role of the multicomponent ion exchange mechanism in controlling adhesion than the double layer expansion mechanism.

  20. Kinetics and Mechanisms of Oxygen Surface Exchange on La0.6Sr0.4FeO3-delta Thin Films

    OpenAIRE

    Mosleh, Majid; Søgaard, Martin; Hendriksen, Peter Vang

    2009-01-01

    The thermodynamic properties as well as oxygen exchange kinetics were examined on mixed ionic and electronic conducting (La0.6Sr0.4)0.99FeO3− (LSF64) thin films deposited on MgO single crystals. It is found that thin films and bulk material have the same oxygen stoichiometry for a given temperature and oxygen partial pressure [i.e., the incorporation reaction has the same reaction enthalpy (H0=−105 KJ/mol) and entropy (S0=−75.5 J/mol/K) as found for bulk material]. The thin film shows smaller...

  1. Surface structure determination of group 11 metals adsorbed on a rhenium(10 anti 10) surface by low-energy electron diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Messahel, Lyria

    2012-11-12

    This thesis deals with the computational surface determination of various long-range ordered phases formed by thin films of copper, silver, and gold adsorbed on the rhenium- (10 anti 10) surface. It is based upon LEED-I,V curves for these phases that were recorded in the course of detailed experimental investigations of the respective films carried out in our group (using techniques such as LEED, MEED, and TPD). In order to solve the intricate puzzle of surface structural analysis, the electron elastic scattering behaviour of the investigated coinage metal phases was calculated using the Erlangen TensErLEED program package. Thereby first a set of theoretical LEED-I,V curves is derived for a guessed reference structure. Subsequently its structural input parameters are varied in a trial-and-error procedure until optimal agreement between experiment and theory is attained. The (1 x 1) phases formed by the deposited metals were tackled first to establish an absolute coverage calibration and to elucidate the respective growth modes on the Re(10 anti 10) surface. In all three cases the (1 x 1) structure is developed best at a coverage {Theta}{sub Cu,Ag,Au}=2 ML=1 BL. Extension of the investigation to experimental I,V curves for higher Cu coverages revealed that this element continues to grow bilayerwise, thereby retaining the Re hcp morphology. Ag, in contrast to Cu and Au, happens not to grow as homogeneously, and the TPD data suggest that Ag films exhibit the so-called simultaneous-multilayer (SM) growth mode. The following analysis of the sub-bilayer coverage range shows that the three systems exhibit considerable differences. While Cu, having a negative lattice misfit compared to Re, shows no long-range ordered superstructures, Ag and Au with a similar positive misfit form a couple of such phases. Ag features both a (1 x 4) phase, stable at ambient temperatures, that upon heating transforms into a c(2 x 2) phase that only exists at elevated temperatures. The

  2. Surface structure determination of group 11 metals adsorbed on a rhenium(10 anti 10) surface by low-energy electron diffraction

    International Nuclear Information System (INIS)

    Messahel, Lyria

    2012-01-01

    This thesis deals with the computational surface determination of various long-range ordered phases formed by thin films of copper, silver, and gold adsorbed on the rhenium- (10 anti 10) surface. It is based upon LEED-I,V curves for these phases that were recorded in the course of detailed experimental investigations of the respective films carried out in our group (using techniques such as LEED, MEED, and TPD). In order to solve the intricate puzzle of surface structural analysis, the electron elastic scattering behaviour of the investigated coinage metal phases was calculated using the Erlangen TensErLEED program package. Thereby first a set of theoretical LEED-I,V curves is derived for a guessed reference structure. Subsequently its structural input parameters are varied in a trial-and-error procedure until optimal agreement between experiment and theory is attained. The (1 x 1) phases formed by the deposited metals were tackled first to establish an absolute coverage calibration and to elucidate the respective growth modes on the Re(10 anti 10) surface. In all three cases the (1 x 1) structure is developed best at a coverage Θ Cu,Ag,Au =2 ML=1 BL. Extension of the investigation to experimental I,V curves for higher Cu coverages revealed that this element continues to grow bilayerwise, thereby retaining the Re hcp morphology. Ag, in contrast to Cu and Au, happens not to grow as homogeneously, and the TPD data suggest that Ag films exhibit the so-called simultaneous-multilayer (SM) growth mode. The following analysis of the sub-bilayer coverage range shows that the three systems exhibit considerable differences. While Cu, having a negative lattice misfit compared to Re, shows no long-range ordered superstructures, Ag and Au with a similar positive misfit form a couple of such phases. Ag features both a (1 x 4) phase, stable at ambient temperatures, that upon heating transforms into a c(2 x 2) phase that only exists at elevated temperatures. The structure

  3. Effects of surface modification with Co3O4 nanoparticles on the oxygen permeability of Ba0.5Sr0.5Co0.8Fe0.2O3-δ membranes

    Science.gov (United States)

    Wang, Yu; Cheng, Jigui; Huang, Min; Liu, Meng; Li, Mingming; Xu, Chenxi

    2017-09-01

    To promote the oxygen permeability of Ba0.5Sr0.5Co0.8Fe0.2O3-δ (BSCF) membranes, Co3O4 nanoparticle catalysts were loaded onto the surfaces of BSCF membranes by a dip-coating process. X-ray diffraction (XRD) results reveal that Co3O4 nanoparticles crystalize in spinel phase. Scanning electron microscope (SEM) observation indicates that the mean particle size of the Co3O4 nanoparticles is about 100 nm in diameter and 20 μm in thickness after annealing at 500 °C for 5 h. Energy dispersive spectrometer (EDS) results testify that the percentage of the elements in the modified layer are in accordance with the stoichiometric ratio of Co3O4. Oxygen permeation tests were made in a laboratory self-made device, and the results show that loading Co3O4 nanoparticle catalysts onto the surfaces of BSCF membranes can significantly increase the oxygen permeability of the BSCF membranes. The unmodified BSCF membranes have an oxygen permeation flux of 0.1080 ml cm-2 min-1 at 600 °C. This increases to 0.4302 ml cm-2 min-1, for the modified membranes, which is four times higher than that of the unmodified BSCF membranes. The oxygen permeation activation energy decreases from 91.42 to 50.71 kJ mol-1 at 600-800 °C by loading Co3O4 nanoparticle catalysts on the surface of BSCF membranes.

  4. Constraints on Paleocene and Eocene Tropical Sea-Surface Temperatures and Meridional Temperature Gradients From Mg/Ca and Oxygen Isotope Ratios of Foraminifera in Sediments Recovered by the Ocean Drilling Program

    Science.gov (United States)

    Tripati, A.; Elderfield, H.; Wade, B.; Kelly, D. C.; Anderson, L. D.; Sindrey, C.

    2005-12-01

    Accurate reconstructions of tropical sea surface temperatures (SST) during the Paleocene and Eocene are needed to understand the contribution of greenhouse gases to past climate variability. When combined with constraints on high-latitude SST, tropical SST can be used to estimate past meridional temperature gradients. The traditional tool applied to reconstructing surface temperatures utilizes the temperature-dependant incorporation of oxygen isotopes into calcium carbonate. However, changes in the oxygen isotope composition of foraminiferal calcite also record variations in the isotopic composition of seawater, complicating temperature reconstructions. The magnesium to calcium (Mg/Ca) ratio of foraminiferal carbonate provides an alternative method for reconstructing temperatures in the past that is insensitive to variations in the oxygen isotopic composition of seawater. Here, we present constraints on tropical temperatures from Mg/Ca ratios of planktonic foraminifera in cores recovered by the Ocean Drilling Program during intervals characterized by large changes in atmospheric carbon dioxide levels, including the Paleocene-Eocene Thermal Maximum and the middle to late Eocene "greenhouse-icehouse" transition. Records are for mixed-layer dwellers belonging to the genus Morozovella and Acaranina, and for the thermocline dwelling taxa Subbotina. We combine these results with constraints on high-latitude SST from other proxies, including foraminiferal Mg/Ca and oxygen isotope ratios, to reconstruct changes in the pole-to-equator temperature gradient during these major climate transitions.

  5. Polymethyl methacrylate-co-methacrylic acid coatings with controllable concentration of surface carboxyl groups: A novel approach in fabrication of polymeric platforms for potential bio-diagnostic devices

    Energy Technology Data Exchange (ETDEWEB)

    Hosseini, Samira; Ibrahim, Fatimah [Center for Innovation in Medical Engineering, Department of Biomedical Engineering, Faculty of Engineering, University of Malaya, Kuala Lumpur 50603 (Malaysia); Djordjevic, Ivan, E-mail: ivan.djordjevic@um.edu.my [Center for Innovation in Medical Engineering, Department of Biomedical Engineering, Faculty of Engineering, University of Malaya, Kuala Lumpur 50603 (Malaysia); Koole, Leo H. [Center for Innovation in Medical Engineering, Department of Biomedical Engineering, Faculty of Engineering, University of Malaya, Kuala Lumpur 50603 (Malaysia); Department of Biomedical Engineering, Faculty of Health. Medicine and Life Science, Maastricht University, PO Box 616, NL 6200 MD Maastricht (Netherlands)

    2014-05-01

    Highlights: • Synthesis and processing of PMMA-co-MAA spin-coatings on silicon wafers. • Surface chemistry and morphology as a function of tailored co-polymer structure. • Polymer coatings with controlled number of surface carboxyl groups. - Abstract: The generally accepted strategy in development of bio-diagnostic devices is to immobilize proteins on polymeric surfaces as a part of detection process for diseases and viruses through antibody/antigen coupling. In that perspective, polymer surface properties such as concentration of functional groups must be closely controlled in order to preserve the protein activity. In order to improve the surface characteristics of transparent polymethacrylate plastics that are used for diagnostic devices, we have developed an effective fabrication procedure of polymethylmetacrylate-co-metacrylic acid (PMMA-co-MAA) coatings with controlled number of surface carboxyl groups. The polymers were processed effectively with the spin-coating technique and the detailed control over surface properties is here by demonstrated through the variation of a single synthesis reaction parameter. The chemical structure of synthesized and processed co-polymers has been investigated with nuclear magnetic resonance spectroscopy (NMR) and matrix-assisted laser desorption time-of-flight mass spectrometry (MALDI-ToF-MS). The surface morphology of polymer coatings have been analyzed with atomic force microscopy (AFM) and scanning electron microscopy (SEM). We demonstrate that the surface morphology and the concentration of surface –COOH groups (determined with UV–vis surface titration) on the processed PMMA-co-MAA coatings can be precisely controlled by variation of initial molar ratio of reactants in the free-radical polymerization reaction. The wettability of developed polymer surfaces also varies with macromolecular structure.

  6. Influence of the carbon fiber surface microstructure on the surface chemistry generated by a thermo-chemical surface treatment

    International Nuclear Information System (INIS)

    Vautard, F.; Ozcan, S.; Paulauskas, F.; Spruiell, J.E.; Meyer, H.; Lance, M.J.

    2012-01-01

    Highlights: ► Continuous thermo-chemical surface treatment used to functionalize different types of carbon fibers. ► Surface density of functional groups directly correlated to the size of the surface microstructure. ► Preferential creation of hydroxyls and carboxylic acids confirmed regardless of the type of carbon fiber. ► Effective surface treatment regardless of the fiber surface microstructure. ► Potential alternative to electro-chemical surface treatment. - Abstract: Carbon fibers made of textile and aerospace grade polyacrylonitrile precursor fibers were surface treated by a continuous gas phase thermochemical treatment. The surface chemistry generated by the surface treatment was characterized by X-ray photoelectron spectroscopy. The surface and the average entire microstructure of the fibers were characterized by Raman spectroscopy and X-ray diffraction, respectively. Depending on the grade of the precursor, the final surface concentration of oxygen was comprised between 14% and 24%, whereas the typical commercial electrochemical surface treatments led to concentrations of around 8% with the same fibers. The final concentration of oxygen was directly correlated to the size of the crystallites which was a function of the grade of the polyacrylonitrile precursor and to the corresponding surface microstructure. The thermochemical surface treatment enabled a better control of the nature of the oxygen-containing functionalities as well. Whatever the grade of the precursor, desired hydroxyl groups and carboxylic acid functionalities were preferably generated, which is observed to be difficult with electrochemical surface treatments.

  7. Growth models of coexisting p(2 × 1) and c(6 × 2) phases on an oxygen-terminated Cu(110) surface studied by noncontact atomic force microscopy at 78 K.

    Science.gov (United States)

    Li, Yan Jun; Lee, Seung Hwan; Kinoshita, Yukinori; Ma, Zong Min; Wen, Huanfei; Nomura, Hikaru; Naitoh, Yoshitaka; Sugawara, Yasuhiro

    2016-05-20

    We present an experimental study of coexisting p(2 × 1) and c(6 × 2) phases on an oxygen-terminated Cu(110) surface by noncontact atomic force microscopy (NC-AFM) at 78 K. Ball models of the growth processes of coexisting p(2 × 1)/c(6 × 2) phases on a terrace and near a step are proposed. We found that the p(2 × 1) and c(6 × 2) phases are grown from the super Cu atoms on both sides of O-Cu-O rows of an atomic spacing. In this paper, we summarize our investigations of an oxygen-terminated Cu(110) surface by NC-AFM employing O- and Cu-terminated tips. Also, we state several problems and issues for future investigation.

  8. Fabrication and characterization of cubic Ba{sub 0.5}Sr{sub 0.5}Co{sub 0.8}Fe{sub 0.2}O{sub 3−δ} perovskite for a novel “star-shaped” oxygen membrane with a developed surface

    Energy Technology Data Exchange (ETDEWEB)

    Borhan, Adrian Iulian [Institute of Power Engineering, Ceramic Department CEREL, Research Institute, 1 Techniczna St., 36-040 Boguchwała (Poland); Gromada, Magdalena, E-mail: gromada@cerel.pl [Institute of Power Engineering, Ceramic Department CEREL, Research Institute, 1 Techniczna St., 36-040 Boguchwała (Poland); Samoila, Petrisor [Petru Poni Institute of Macromolecular Chemistry, 41A, Gr. Ghica Voda Alley, 700487 Iasi (Romania); Gherca, Daniel [Alexandru Ioan Cuza University of Iasi, Faculty of Chemistry, 11 Carol 1 Boulevard, R-700506 Iasi (Romania)

    2016-07-15

    Highlights: • Innovative fabrication technology was elaborated for BSCF membrane with developed surface. • The tool for membranes forming with developed surface was designed and executed. • As a result of forming process, membranes with “star shape” design were obtained. • Concentration of oxygen vacancies in BSCF increases considerably with temperature. • The small polaron hopping depends on the oxygen stoichiometry deviation. - Abstract: Ba{sub 0.5}Sr{sub 0.5}Co{sub 0.8}Fe{sub 0.2}O{sub 3−δ} (BSCF), a material which can be used for the fabrication of oxygen membranes with developed surfaces, was synthesized by a solid state method. The most important material properties which have influence on the oxygen membrane usability were investigated. An innovative fabrication technology was developed for the preparation of oxygen membranes with developed surfaces by using vacuum extrusion. The tool to form membranes on a vacuum worm press was designed and executed. These allowed the formation, for the first time, of a novel “star shaped” architecture for an oxygen membrane, enabling the use of a higher effective surface for oxygen production. Comprehensive studies on structural and microstructural properties, apparent density and porosity, water absorbability, oxygen stoichiometry, thermal expansion and electrical conductivity of the BSCF membrane were performed. The results obtained demonstrated the potential application of “star-shaped” oxygen membranes in oxy-fuel combustion technology.

  9. The neural cell adhesion molecule L1 is distinct from the N-CAM related group of surface antigens BSP-2 and D2

    DEFF Research Database (Denmark)

    Faissner, A; Kruse, J; Goridis, C

    1984-01-01

    The neural cell adhesion molecule L1 and the group of N-CAM related molecules, BSP-2 and D2 antigen, are immunochemically distinct molecular species. The two groups of surface molecules are also functionally distinct entities, since inhibition of Ca2+-independent adhesion among early post-natal m...

  10. Photoemission surface characterization of (0 0 1) In{sub 2}O{sub 3} thin film through the interactions with oxygen, water and carbon monoxide: Comparison with (1 1 1) orientation

    Energy Technology Data Exchange (ETDEWEB)

    Brinzari, V., E-mail: vbrinzari@mail.ru [State University of Moldova, str. Mateevich 60A, MD-2009 Chisinau, Republic of Moldova (Moldova, Republic of); Cho, B.K. [Gwangju Institute of Science and Technology, Gwangju (Korea, Republic of); Kamei, M. [National Institute for Material Science, Namiki, Tsukuba, Ibaraki (Japan); Korotcenkov, G., E-mail: ghkoro@yahoo.com [Gwangju Institute of Science and Technology, Gwangju (Korea, Republic of)

    2015-01-01

    Highlights: • SRPES of In{sub 2}O{sub 3}(0 0 1) thin film under heating activated gas exposures of O{sub 2}, H{sub 2}O, CO. • Changes in surface band bending and composition vs. these treatments. • Models of (0 0 1) surface terminations, compositions and zone diagrams. • Changes in VB spectra radically differ from the same ones for (1 1 1) film. • Adsorbed water species do not donate electrons into conduction band. - Abstract: Synchrotron radiation ultraviolet photoemission experiments at photon energies of 150 and 49 eV have been performed on (0 0 1) In{sub 2}O{sub 3} epitaxial layer with thickness of 120 nm grown by electron beam evaporation method. Valence band (VB) photoemission spectra have been monitored under separate oxygen, water and carbon monoxide exposures (100 L) at different sample temperatures within the range utilized for chemoresistive gas sensors operation (20–450 °C). Large changes in photoemission response within the whole VB were observed for all gases. Surface potential changes were identified as a shift of the valence band edge relative to the Fermi energy. It was found that the initial state of the In{sub 2}O{sub 3} surface after standard preparation procedure corresponded to highly reduced surface, close to “metallic” surface. Treatments in oxygen resulted in oxidation of the surface and regular upward band bending have been changing up to 0.27 eV. These two extreme states of the In{sub 2}O{sub 3} surface corresponded to the surface zone diagrams with accumulation layer and flat bands, respectively. Surface potential changes under water and carbon monoxide treatment have been irregular vs. temperature and small enough (<0.05 eV). However, the magnitudes of photoemission deviations under these treatments were large and comparable with intensity of an initial photoemission itself before the treatment (ΔI{sub ph} ∼ 10–40%). The obtained results have been compared with the ones previously received for (1 1 1) surface and

  11. Modification of dispersibility of nanodiamond by grafting of polyoxyethylene and by the introduction of ionic groups onto the surface via radical trapping

    Energy Technology Data Exchange (ETDEWEB)

    Cha, I. [Graduate School of Science and Technology, Niigata University, 8050, Ikarashi, 2-no-cho, Nishi-ku, Niigata 950-2181 (Japan); Hashimoto, K. [Department of Material Science and Technology, Faculty of Engineering, Niigata University, 8050, Ikarashi, 2-no-cho, Nishi-ku, Niigata 950-218 (Japan); Fujiki, K. [Department of Environmental Science, Niigata Institute of Technology, 1719, Fujihashi, Kashiwazaki, Niigata 945-1195 (Japan); Yamauchi, T. [Graduate School of Science and Technology, Niigata University, 8050, Ikarashi, 2-no-cho, Nishi-ku, Niigata 950-2181 (Japan); Department of Material Science and Technology, Faculty of Engineering, Niigata University, 8050, Ikarashi, 2-no-cho, Nishi-ku, Niigata 950-218 (Japan); Tsubokawa, N., E-mail: ntsuboka@eng.niigata-u.ac.jp [Graduate School of Science and Technology, Niigata University, 8050, Ikarashi, 2-no-cho, Nishi-ku, Niigata 950-2181 (Japan); Department of Material Science and Technology, Faculty of Engineering, Niigata University, 8050, Ikarashi, 2-no-cho, Nishi-ku, Niigata 950-218 (Japan)

    2014-02-14

    To improve the dispersibility of polycrystalline nanodiamond (ND) in solvents, the grafting of polymers and introduction of ionic groups onto ND surface via radical trapping by ND surface were investigated. The grafting of polyoxyethylene (POE) onto ND surface by trapping of POE radicals formed by the thermal decomposition of POE macro azo-initiator (Azo-POE) was examined. The polymer radicals formed by the thermal decomposition of Azo-POE were successfully trapped by ND surface to give POE-grafted ND. The effect of temperature on the grafting of POE onto ND was discussed. In addition, the introduction of cationic protonated amidine groups onto ND was achieved by the trapping of radicals bearing protonated amidine groups formed by thermal decomposition of 2,2′-azobis(2-methylpropionamidine)dihydrochloride (AMPA). The anionic carboxylate groups was introduced onto ND surface by the trapping of the radicals bearing carboxyl groups formed by thermal decomposition of 4,4′-azobis(4-cyonovaleric acid) (ACVA) followed by the treatment with NaOH aqueous solution. The dispersibility of ND in water was remarkably improved by the grafting of POE, based on the steric hindrance of polymer chains and by the introduction of ionic groups, based on the ionic repulsion, onto ND surface. - Highlights: • Grafting of PEG onto nanodiamond was achieved by radical trapping. • Introduction of ionic groups onto nanodiamond was achieved by radical trapping. • Nanodiamond was dispersed by PEG grafting based on steric hindrance of PEG chains. • Nanodiamond was dispersed by introduction of ionic groups based on ionic repulsion.

  12. Modification of dispersibility of nanodiamond by grafting of polyoxyethylene and by the introduction of ionic groups onto the surface via radical trapping

    International Nuclear Information System (INIS)

    Cha, I.; Hashimoto, K.; Fujiki, K.; Yamauchi, T.; Tsubokawa, N.

    2014-01-01

    To improve the dispersibility of polycrystalline nanodiamond (ND) in solvents, the grafting of polymers and introduction of ionic groups onto ND surface via radical trapping by ND surface were investigated. The grafting of polyoxyethylene (POE) onto ND surface by trapping of POE radicals formed by the thermal decomposition of POE macro azo-initiator (Azo-POE) was examined. The polymer radicals formed by the thermal decomposition of Azo-POE were successfully trapped by ND surface to give POE-grafted ND. The effect of temperature on the grafting of POE onto ND was discussed. In addition, the introduction of cationic protonated amidine groups onto ND was achieved by the trapping of radicals bearing protonated amidine groups formed by thermal decomposition of 2,2′-azobis(2-methylpropionamidine)dihydrochloride (AMPA). The anionic carboxylate groups was introduced onto ND surface by the trapping of the radicals bearing carboxyl groups formed by thermal decomposition of 4,4′-azobis(4-cyonovaleric acid) (ACVA) followed by the treatment with NaOH aqueous solution. The dispersibility of ND in water was remarkably improved by the grafting of POE, based on the steric hindrance of polymer chains and by the introduction of ionic groups, based on the ionic repulsion, onto ND surface. - Highlights: • Grafting of PEG onto nanodiamond was achieved by radical trapping. • Introduction of ionic groups onto nanodiamond was achieved by radical trapping. • Nanodiamond was dispersed by PEG grafting based on steric hindrance of PEG chains. • Nanodiamond was dispersed by introduction of ionic groups based on ionic repulsion

  13. Results of Steam-Water-Oxygen Treatment of the Inside of Heating Surfaces in Heat-Recovery Steam Generators of the PGU-800 Power Unit at the Perm' District Thermal Power Station

    Science.gov (United States)

    Ovechkina, O. V.; Zhuravlev, L. S.; Drozdov, A. A.; Solomeina, S. V.

    2018-05-01

    Prestarting, postinstallation steam-water-oxygen treatment (SWOT) of the natural circulation/steam reheat heat-recovery steam generators (HRSG) manufactured by OAO Krasny Kotelshchik was performed at the PGU-800 power unit of the Perm District Thermal Power Station (GRES). Prior to SWOT, steam-oxygen cleaning, passivation, and preservation of gas condensate heaters (GCH) of HRSGs were performed for 10 h using 1.3MPa/260°C/70 t/h external steam. After that, test specimens were cut out that demonstrated high strength of the passivating film. SWOT of the inside of the heating surfaces was carried out during no-load operation of the gas turbine unit with an exhaust temperature of 280-300°C at the HRSG inlet. The steam turbine was shutdown, and the generated steam was discharged into the atmosphere. Oxygen was metered into the discharge pipeline of the electricity-driven feed pumps and downcomers of the evaporators. The behavior of the concentration by weight of iron compounds and the results of investigation of cutout specimens by the drop or potentiometric method indicate that the steam-water-oxygen process makes it possible to remove corrosion products and reduce the time required to put a boiler into operation. Unlike other processes, SWOT does not require metal-intensive cleaning systems, temporary metering stations, and structures for collection of the waste solution.

  14. 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

    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...

  15. Unifying the 2eand 4e Reduction of Oxygen on Metal Surfaces

    DEFF Research Database (Denmark)

    Viswanathan, Venkatasubramanian; Hansen, Heine Anton; Rossmeisl, Jan

    2012-01-01

    , we show that to a first approximation an activity descriptor, ΔGOH*, the free energy of adsorbed OH*, can be used to describe trends for the 2e– and 4e– reduction of oxygen. While the weak binding of OOH* on Au(111) makes it an unsuitable catalyst for the 4e– reduction, this weak binding is optimal...

  16. Optic nerve oxygen tension

    DEFF Research Database (Denmark)

    Kiilgaard, Jens Folke; Pedersen, D B; Eysteinsson, T

    2004-01-01

    The authors have previously reported that carbonic anhydrase inhibitors such as acetazolamide and dorzolamide raise optic nerve oxygen tension (ONPO(2)) in pigs. The purpose of the present study was to investigate whether timolol, which belongs to another group of glaucoma drugs called beta...

  17. Optic nerve oxygen tension

    DEFF Research Database (Denmark)

    Kiilgaard, Jens Folke; Pedersen, D B; Eysteinsson, T

    2004-01-01

    The authors have previously reported that carbonic anhydrase inhibitors such as acetazolamide and dorzolamide raise optic nerve oxygen tension (ONPO(2)) in pigs. The purpose of the present study was to investigate whether timolol, which belongs to another group of glaucoma drugs called beta block...

  18. Oxygen safety

    Science.gov (United States)

    ... sure you have working smoke detectors and a working fire extinguisher in your home. If you move around the house with your oxygen, you may need more than one fire extinguisher in different locations. Smoking can be very dangerous. No one should smoke ...

  19. Timescales of Oxygenation Following the Evolution of Oxygenic Photosynthesis.

    Science.gov (United States)

    Ward, Lewis M; Kirschvink, Joseph L; Fischer, Woodward W

    2016-03-01

    Among the most important bioenergetic innovations in the history of life was the invention of oxygenic photosynthesis-autotrophic growth by splitting water with sunlight-by Cyanobacteria. It is widely accepted that the invention of oxygenic photosynthesis ultimately resulted in the rise of oxygen by ca. 2.35 Gya, but it is debated whether this occurred more or less immediately as a proximal result of the evolution of oxygenic Cyanobacteria or whether they originated several hundred million to more than one billion years earlier in Earth history. The latter hypothesis involves a prolonged period during which oxygen production rates were insufficient to oxidize the atmosphere, potentially due to redox buffering by reduced species such as higher concentrations of ferrous iron in seawater. To examine the characteristic timescales for environmental oxygenation following the evolution of oxygenic photosynthesis, we applied a simple mathematical approach that captures many of the salient features of the major biogeochemical fluxes and reservoirs present in Archean and early Paleoproterozoic surface environments. Calculations illustrate that oxygenation would have overwhelmed redox buffers within ~100 kyr following the emergence of oxygenic photosynthesis, a geologically short amount of time unless rates of primary production were far lower than commonly expected. Fundamentally, this result arises because of the multiscale nature of the carbon and oxygen cycles: rates of gross primary production are orders of magnitude too fast for oxygen to be masked by Earth's geological buffers, and can only be effectively matched by respiration at non-negligible O2 concentrations. These results suggest that oxygenic photosynthesis arose shortly before the rise of oxygen, not hundreds of millions of years before it.

  20. First principles-based adsorption comparison of group IV elements (C, Si, Ge, and Sn) on Au(111)/Ag(111) surface

    International Nuclear Information System (INIS)

    Chakraborty, Sudip; Rajesh, Ch.

    2012-01-01

    We have reported a first-principle investigation of the structural properties of monomer and dimer for group IV elements (C, Si, Ge, and Sn) adsorbed on the Au(111) and Ag(111) surfaces. The calculations were performed by means of a plane wave based pseudopotential method under the framework of density functional theory. The results reveal the preference of adatom to be adsorbed on the hexagonal closed packed site of the metal (111) surfaces with strong binding energy. The structures introduce interlayer forces in the adsorbate. The strong bonding with the surface atoms is a result of p–d hybridization. The adsorption energy follows a sequence as one goes down in the group IV elements which imply that the interaction of the group IV elements with Au/Ag is decreasing as the atomic number increases.

  1. Adsorption orientation effects of porphyrin dyes on the performance of DSSC: Comparison of benzoic acid and tropolone anchoring groups binding onto the TiO2 anatase (101) surface

    Science.gov (United States)

    Zhu, Han-Cheng; Zhang, Ji; Wang, Ying-Lin

    2018-03-01

    A new porphyrin dye with tropolone anchoring group showing superior stability but lower efficiency versus the promising dye YD2-o-C8 with benzoic acid anchoring group was theoretically investigated for the first time. A series of important parameters related to the efficiency of DSSC were calculated to explore the nature of the experimentally observed lower efficiency and superior stability of tropolone-based solar cells. We found these two dyes with different anchoring groups show comparable electron injection and dye regeneration process. Interestingly, the red-shifted absorption spectrum, relatively weaker ability of releasing protons, and the larger conduction band energy shift of tropolone-based dyes all demonstrated it should show better performance than the benzoic acid dyes, which contradicts with the experimental results. However, through investigating the interaction between the porphyrin dye and the semiconductor by analyzing the electron localization function of the porphyrin dye and preforming energy decomposition analysis, we found that the direction of lone-pair electrons of carbonyl oxygen in the tropolone-based dye makes the dye prefer to adsorb on the surface in an inclined way, in contrary to the benzoic acid-based dye that favored a vertical adsorption. The inclined adsorption could significantly accelerate the charge recombination process between the injected electrons and the oxidized dye, leading to a decreased efficiency of DSSC.

  2. In-Situ Catalytic Surface Modification of Micro-Structured La0.6Sr0.4Co0.2Fe0.8O3-δ (LSCF Oxygen Permeable Membrane Using Vacuum-Assisted technique

    Directory of Open Access Journals (Sweden)

    Othman Nur Hidayati

    2016-01-01

    Full Text Available This paper aims at investigating the means to carry out in-situ surface modification of La0.6Sr0.4Co0.2Fe0.8O3-δ (LSCF oxygen permeable membrane by using vacuum assisted technique. The unique structure of the LSCF hollow fibre membrane used in this study, which consists of an outer dense oxygen separation layer and conical-shaped microchannels open at the inner surface has allowed the membrane to be used as oxygen separation membrane and as a structured substrate for where catalyst can be deposited. A catalyst solution of similar material, LSCF was prepared using sol-gel technique. Effects of calcination temperature and heating rate were investigated using XRD and TGA to ensure pure perovskites structure of LSCF was obtained. It was found that a lower calcination temperature can be used to obtain pure perovskite phase if slower heating rate is used. The SEM photograph shows that the distribution of catalyst onto the membrane microchannels using in-situ deposition technique was strongly related to the viscosity of LSCF catalytic sol. Interestingly, it was found that the amount of catalyst deposited using viscous solution was slightly higher than the less viscous sol. This might be due to the difficulty of catalyst sol to infiltrate the membrane and as a result, thicker catalyst layer was observed at the lumen rather than onto the conical-shaped microchannels. Therefore, the viscosity of catalyst solution and calcination process should be precisely controlled to ensure homogeneous catalyst layer deposition. Analysis of the elemental composition will be studied in the future using energy dispersive X-ray Spectroscopy (EDX to determine the elements deposited onto the membranes. Once the elemental analysis is confirmed, oxygen permeation analysis will be carried out.

  3. Effect of pre-pyrolysis mode on simultaneous introduction of nitrogen/oxygen-containing functional groups into the structure of bagasse-based mesoporous carbon and its influence on Cu(II) adsorption.

    Science.gov (United States)

    Wan, Zeqing; Li, Kunquan

    2018-03-01

    A convenient effective microwave pre-pyrolysis treatment to synthesize biomass-based mesoporous carbon with higher nitrogen/oxygen-chelating adsorption for Cu(II) is reported here, in which phosphoric acid impregnated bagasse was used as a microwave absorber and porogen. For comparison, conventional electric-heating pyrolyzed carbon was prepared and doped with nitrogen/oxygen groups. Nitrogen adsorption, scanning electron microscopy, Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy (XPS) and batch adsorption were employed to investigate the effects of the two pre-pyrolysis modes on the sample physicochemical and Cu(II) adsorptive properties. The 22-min-microwave-pyrolyzed bagasse mesoporous activated carbon (MBAC, 85.32% mesoporosity) contained 10.52% O, which is 3.94% more than electric-heating pyrolyzed mesoporous activated carbon (89.52% mesoporosity). After electrophilic aromatic substitutions of N/O doping, the former possessed more N (5.83%) and more O (21.40%), confirming that time-saving energy-efficient microwave pyrolysis favors the formation of defective C/O atoms in or at the edges of the graphite layer of MBAC, which are highly active and tend to act as preferred reactive positions for the doping of N/O-containing groups simultaneously compared with conventional electric-heating pyrolysis. These N and O species existed mainly as COOH, OH, NH and NH 2 functional groups, and were confirmed by XPS to be active sites for metal binding via electrostatic attraction, hydrogen bonding, a chelate effect and complexation, resulting in the great enhancement of Cu(II) adsorption. Langmuir isotherm and pseudo-second-order kinetic fitting further proved that Cu(II) adsorption by N/O-doped MBAC is ascribed mainly to chemisorption. Therefore, rapid microwave pre-pyrolysis provides a promising route to prepare excellent-performance N/O-doped carbon adsorbents. Copyright © 2017 Elsevier Ltd. All rights reserved.

  4. Reaction and Protection of Electrical Wire Insulators in Atomic-oxygen Environments

    Science.gov (United States)

    Hung, Ching-Cheh; Cantrell, Gidget

    1994-01-01

    Atomic-oxygen erosion on spacecraft in low Earth orbit is an issue which is becoming increasingly important because of the growing number of spacecraft that will fly in the orbits which have high concentrations of atomic oxygen. In this investigation, the atomic-oxygen durability of three types of electrical wire insulation (carbon-based, fluoropolymer, and polysiloxane elastomer) were evaluated. These insulation materials were exposed to thermal-energy atomic oxygen, which was obtained by RF excitation of air at a pressure of 11-20 Pa. The effects of atomic-oxygen exposure on insulation materials indicate that all carbon-based materials erode at about the same rate as polyamide Kapton and, therefore, are not atomic-oxygen durable. However, the durability of fluoropolymers needs to be evaluated on a case by case basis because the erosion rates of fluoropolymers vary widely. For example, experimental data suggest the formation of atomic fluorine during atomic-oxygen amorphous-fluorocarbon reactions. Dimethyl polysiloxanes (silicone) do not lose mass during atomic-oxygen exposure, but develop silica surfaces which are under tension and frequently crack as a result of loss of methyl groups. However, if the silicone sample surfaces were properly pretreated to provide a certain roughness, atomic oxygen exposure resulted in a sturdy, non-cracked atomic-oxygen durable SiO2 layer. Since the surface does not crack during such silicone-atomic oxygen reaction, the crack-induced contamination by silicone can be reduced or completely stopped. Therefore, with proper pretreatment, silicone can be either a wire insulation material or a coating on wire insulation materials to provide atomic-oxygen durability.

  5. Kinetics and Mechanisms of Oxygen Surface Exchange on La0.6Sr0.4FeO3-delta Thin Films

    DEFF Research Database (Denmark)

    Mosleh, Majid; Søgaard, Martin; Hendriksen, Peter Vang

    2009-01-01

    coefficient (kV) determined from Kchem shows a slope (log kV vs log PO2) between 0.51 and 0.85. It is further found that kV is proportional to the product of the oxygen partial pressure and the vacancy concentration (kVPO2). Different reaction mechanisms that can account for the observed PO2 and -dependence...

  6. High-Performance Supercapacitor of Functionalized Carbon Fiber Paper with High Surface Ionic and Bulk Electronic Conductivity: Effect of Organic Functional Groups

    International Nuclear Information System (INIS)

    Suktha, Phansiri; Chiochan, Poramane; Iamprasertkun, Pawin; Wutthiprom, Juthaporn; Phattharasupakun, Nutthaphon; Suksomboon, Montakan; Kaewsongpol, Tanon; Sirisinudomkit, Pichamon; Pettong, Tanut; Sawangphruk, Montree

    2015-01-01

    Highlights: • A supercapacitor of organic functionalized carbon fiber paper (f-CFP) exhibits high areal and volumetric capacitances. • The performance of the supercapacitor depends on the organic functional group on the surface of the f-CFP. • Hydroxyl and carboxylic groups modified on the surface of f-CFP have higher pseudocapacitive property than amide and amine functional groups. • The f-CFP exhibits high surface ionic and bulk electrical conductivities. - Abstract: Although carbon fiber paper (CFP) or nonwovens are widely used as a non-corrosive and conductive substrate or current collector in batteries and supercapacitors as well as a gas diffusion layer in proton exchange membrane fuel cells, the CFP cannot store charges due to its poor ionic conductivity and its hydrophobic surface. In this work, the chemically functionalized CFP (f-CFP) consisting of hydroxyl and carboxylic groups on its surface was produced by an oxidation reaction of CFP in a mixed concentrated acid solution of H 2 SO 4 :HNO 3 (3:1 v/v) at 60 °C for 1 h. Other amide and amine groups modified CFP were also synthesized for comparison using a dehydration reaction of carboxylic modified CFP with ethylenediamine and n-butylamine. Interestingly, it was found that hydroxyl and carboxylic groups modified CFP behave as a pseudocapacitor electrode, which can store charges via the surface redox reaction in addition to electrochemical double layer capacitance. The aqueous-based supercapacitor of f-CFP has high areal, volumetric, and specific energy (49.0 μW.h/cm 2 , 1960 mW.h/L, and 5.2 W.h/Kg) and power (3.0 mW/cm 2 , 120 W/L, and 326.2 W/Kg) based on the total geometrical surface area and volume as well as the total weight of positive and negative electrodes. High charge capacity of the f-CFP stems from high ionic charge and pseudocapacitive behavior due to hydroxyl and carboxylic groups on its surface and high bulk electronic conductivity (2.03 mS/cm) due to 1D carbon fiber paper. The

  7. Kinetics of oxygen exchange over CeO2-ZrO2 fluorite-based catalysts.

    Science.gov (United States)

    Sadovskaya, Ekaterina M; Ivanova, Yulia A; Pinaeva, Larisa G; Grasso, Giacomo; Kuznetsova, Tatiana G; van Veen, Andre; Sadykov, Vladislav A; Mirodatos, Claude

    2007-05-24

    The kinetics of 18O/16O isotopic exchange over CeO2-ZrO2-La2O3 and Pt/CeO2-ZrO2 catalysts have been investigated under the conditions of dynamic adsorption-desorption equilibrium at atmospheric pressure and a temperature range of 650-850 degrees C. The rates of oxygen adsorption-desorption on Pt sites, support surface, oxygen transfer (spillover) from Pt to the support as well as the amount of oxygen accumulated in the oxide bulk, and oxygen diffusion coefficient were estimated. The nanocrystalline structure of lanthana-doped ceria-zirconia prepared via the Pechini route with a developed network of domain boundaries and specific defects guarantees a high oxygen mobility in the oxide bulk (D = (1.5 / 2.0).10-18 m2 s-1 at 650 degrees C) and allows accumulation of over-stoichiometric/excess oxygen. For Pt/CeO2-ZrO2, oxygen transfer from Pt to support (characteristic time surface. The rate of direct exchange between the gas phase and surface oxygen is increased as well due to the increased concentration (up to 2 monolayers) of surface/near subsurface oxygen species accumulated on the oxygen vacancies (originated from the incorporation of highly dispersed Pt atoms). The characteristic time of diffusion of the oxygen localized in the subsurface layers is about 1 s. The overall quantity of over-stoichiometric oxygen and/or hydroxyl groups accumulated in the bulk can reach the equivalent of 10 monolayers, and characteristic time of oxygen diffusion within the bulk is about 20 s. All these kinetic data are required for the further step of modeling partial oxidation of hydrocarbons under steady- and unsteady-state conditions.

  8. Area G Perimeter Surface-Soil Sampling Environmental Surveillance for Fiscal Year 1998 Hazardous and Solid Waste Group (ESH-19)

    Energy Technology Data Exchange (ETDEWEB)

    Marquis Childs

    1999-09-01

    Material Disposal Area G (Area G) is at Technical Area 54 at Los Alamos National Laboratory (LANL). Area G has been the principal facility for the disposal of low-level, solid-mixed, and transuranic waste since 1957. It is currently LANL's primary facility for radioactive solid waste burial and storage. As part of the annual environmental surveillance effort at Area G, surface soil samples are collected around the facility's perimeter to characterize possible radionuclide movement off the site through surface water runoff During 1998, 39 soil samples were collected and analyzed for percent moisture, tritium, plutonium-238 and 239, cesium-137 and americium-241. To assess radionuclide concentrations, the results from these samples are compared with baseline or background soil samples collected in an undisturbed area west of the active portion Area G. The 1998 results are also compared to the results from analogous samples collected during 1996 and 1997 to assess changes over this time in radionuclide activity concentrations in surface soils around the perimeter of Area G. The results indicate elevated levels of all the radionuclides assessed (except cesium-137) exist in Area G perimeter surface soils vs the baseline soils. The comparison of 1998 soil data to previous years (1996 and 1997) indicates no significant increase or decrease in radionuclide concentrations; an upward or downward trend in concentrations is not detectable at this time. These results are consistent with data comparisons done in previous years. Continued annual soil sampling will be necessary to realize a trend if one exists. The radionuclide levels found in the perimeter surface soils are above background but still considered relatively low. This perimeter surface soil data will be used for planning purposes at Area G, techniques to prevent sediment tm.nsport off-site are implemented in the areas where the highest radionuclide concentrations are indicated.

  9. Obesity Decreases Perioperative Tissue Oxygenation

    Science.gov (United States)

    Kabon, Barbara; Nagele, Angelika; Reddy, Dayakar; Eagon, Chris; Fleshman, James W.; Sessler, Daniel I.; Kurz, Andrea

    2005-01-01

    Background: Obesity is an important risk factor for surgical site infections. The incidence of surgical wound infections is directly related to tissue perfusion and oxygenation. Fat tissue mass expands without a concomitant increase in blood flow per cell, which might result in a relative hypoperfusion with decreased tissue oxygenation. Consequently, we tested the hypotheses that perioperative tissue oxygen tension is reduced in obese surgical patients. Furthermore, we compared the effect of supplemental oxygen administration on tissue oxygenation in obese and non-obese patients. Methods: Forty-six patients undergoing major abdominal surgery were assigned to one of two groups according to their body mass index (BMI): BMI < 30 kg/m2 (non-obese) and BMI ≥ 30 kg/m2 (obese). Intraoperative oxygen administration was adjusted to arterial oxygen tensions of ≈150 mmHg and ≈300 mmHg in random order. Anesthesia technique and perioperative fluid management were standardized. Subcutaneous tissue oxygen tension was measured with a polarographic electrode positioned within a subcutaneous tonometer in the lateral upper arm during surgery, in the recovery room, and on the first postoperative day. Postoperative tissue oxygen was also measured adjacent to the wound. Data were compared with unpaired two tailed t-tests and Wilcoxon rank-sum tests; P < 0.05 was considered statistically significant. Results: Intraoperative subcutaneous tissue oxygen tension was significantly less in the obese patients at baseline (36 vs. 57 mmHg, P = 0.002) and with supplemental oxygen administration (47 vs. 76 mmHg, P = 0.014). Immediate postoperative tissue oxygen tension was also significantly less in subcutaneous tissue of the upper arm (43 vs. 54 mmHg, P = 0.011) as well as near the incision (42 vs. 62 mmHg, P = 0.012) in obese patients. In contrast, tissue oxygen tension was comparable in each group on the first postoperative morning. Conclusion: Wound and tissue hypoxia were common in obese

  10. Influence of Group-III-metal and Ag adsorption on the Ge growth on Si(111) and its vicinal surface

    Energy Technology Data Exchange (ETDEWEB)

    Speckmann, Moritz

    2011-12-15

    In the framework of this thesis the surfactant-mediated heteroepitaxial growth of Ge on different Si surfaces has been investigated by means of low-energy electron microscopy, low-energy electron diffraction, spot-profile analysing low-energy electron diffraction, X-ray standing waves, grazing-incidence X-ray diffraction, x-ray photoemission electron microscopy, X-ray photoemission spectroscopy, scanning tunneling microscopy, scanning electron microscopy, transmission electron microscopy, and density functional theory calculations. As surfactants gallium, indium, and silver were used. The adsorption of Ga or In on the intrinsically faceted Si(112) surface leads to a smoothing of the surface and the formation of (N x 1) reconstructions, where a mixture of building blocks of different sizes is always present. For both adsorbates the overall periodicity on the surface is strongly dependent on the deposition temperature and the coverage. For the experimental conditions chosen here, the periodicities are in the range of 5.2{<=}N{<=}6.5 and 3.4{<=}N{<=}3.7 for Ga and In, respectively. The (N x 1) unit cells of Ga/Si(112) and In/Si(112) are found to consist of adsorbate atoms on terrace and step-edge sites, forming two atomic chains along the [110] direction. In the Ga-induced structures two Ga-vacancies per unit cell (one in the terrace and one in the step-edge site) are found and a continuous vacancy line on the surface is formed. In the In/Si(112) structure only one vacancy per unit cell in the step-edge site exists and, thus, a continuous adsorbate chain on the terrace sites is present. The adsorption of Ga or In on Si(112) strongly influences the subsequent Ge growth. Ge deposition on the Ga-terminated Si(112) surface leads to the formation of Ge nanowires, which are elongated along the Ga chains and reach lengths of up to 2000 nm for a growth temperature of 600 C. On In-covered Si(112), both small dash-like Ge islands and triangularly shaped islands are found, where

  11. Oxygen detection using evanescent fields

    Science.gov (United States)

    Duan, Yixiang; Cao, Weenqing

    2007-08-28

    An apparatus and method for the detection of oxygen using optical fiber based evanescent light absorption. Methylene blue was immobilized using a sol-gel process on a portion of the exterior surface of an optical fiber for which the cladding has been removed, thereby forming an optical oxygen sensor. When light is directed through the optical fiber, transmitted light intensity varies as a result of changes in the absorption of evanescent light by the methylene blue in response to the oxygen concentration to which the sensor is exposed. The sensor was found to have a linear response to oxygen concentration on a semi-logarithmic scale within the oxygen concentration range between 0.6% and 20.9%, a response time and a recovery time of about 3 s, ant to exhibit good reversibility and repeatability. An increase in temperature from 21.degree. C. to 35.degree. C. does not affect the net absorption of the sensor.

  12. Surface oxygen vacancy induced solar light activity enhancement of a CdWO4/Bi2O2CO3core-shell heterostructure photocatalyst.

    Science.gov (United States)

    Yang, Chunming; Gao, Guimei; Zhang, Junjun; Liu, Ruiping; Fan, Ruicheng; Zhao, Ming; Wang, Yongwang; Gan, Shucai

    2017-06-07

    A CdWO 4 /Bi 2 O 2 CO 3 core-shell heterostructure photocatalyst was fabricated via a facile two-step hydrothermal process. Flower-like Bi 2 O 2 CO 3 was synthesized and functioned as the cores on which CdWO 4 nanorods were coated as the shells. Photoluminescence (PL) spectra and electron paramagnetic resonance (EPR) demonstrate that the CdWO 4 /Bi 2 O 2 CO 3 core-shell heterostructure photocatalyst possesses a large amount of oxygen vacancies, which induce defect levels in the band gap and help to broaden light absorption. The photocatalyst exhibits enhanced photocatalytic activity for Rhodamine B (RhB), methylene blue (MB), methyl orange (MO), and colorless contaminant phenol degradation under solar light irradiation. The heterostructured CdWO 4 /Bi 2 O 2 CO 3 core-shell photocatalyst shows drastically enhanced photocatalytic properties compared to the pure CdWO 4 and Bi 2 O 2 CO 3 . This remarkable enhancement is attributed to the following three factors: (1) the presence of oxygen vacancies induces defect levels in the band gap and increases the visible light absorption; (2) intimate interfacial interactions derived from the core-shell heterostructure; and (3) the formation of the n-n junction between the CdWO 4 and Bi 2 O 2 CO 3 . The mechanism is further explored by analyzing its heterostructure and determining the role of active radicals. The construction of high-performance photocatalysts with oxygen vacancies and core-shell heterostructures has great potential for degradation of refractory contaminants in water with solar light irradiation.

  13. OXYGEN TRANSPORT CERAMIC MEMBRANES

    Energy Technology Data Exchange (ETDEWEB)

    Dr. Sukumar Bandopadhyay; Dr. Nagendra Nagabhushana

    2003-01-01

    In the present quarter, the possibility of using a more complex interfacial engineering approach to the development of reliable and stable oxygen transport perovskite ceramic membranes/metal seals is discussed. Experiments are presented and ceramic/metal interactions are characterized. Crack growth and fracture toughness of the membrane in the reducing conditions are also discussed. Future work regarding this approach is proposed are evaluated for strength and fracture in oxygen gradient conditions. Oxygen gradients are created in tubular membranes by insulating the inner surface from the reducing environment by platinum foils. Fracture in these test conditions is observed to have a gradient in trans and inter-granular fracture as opposed to pure trans-granular fracture observed in homogeneous conditions. Fracture gradients are reasoned to be due to oxygen gradient set up in the membrane, variation in stoichiometry across the thickness and due to varying decomposition of the parent perovskite. The studies are useful in predicting fracture criterion in actual reactor conditions and in understanding the initial evolution of fracture processes.

  14. Surface Characterization and Electrocatalytic Properties of the Ti/Ir0.3Ti(0.7-xPbx O2-Coated Electrodes for Oxygen Evolution Reaction in Acidic Media

    Directory of Open Access Journals (Sweden)

    Oliveira-Sousa Adriana de

    2002-01-01

    Full Text Available In this work a systematic investigation was carried out of the surface characterization and electrocatalytic activity of Ti/Ir0.3Ti(0.7-xPb x O2-coated electrodes (0 <= x <= 0.7, using the oxygen evolution reaction (OER in 0.5 mol dm-3 H2SO4 as model. The electrodes were prepared by thermal decomposition of IrCl3, TiCl3 and Pb(NO32 at 600 °C for 1 h using Ti as support. X-ray diffraction shows that the layers are crystalline and that the corresponding metal oxides are present. The surface morphology of the samples, before and after use under extensive oxygen evolution (Tafel experiment, was characterized by Scanning Electron Microscopy and the micrograph analyses show that the OER promotes the dissolution of the oxide layer. The redox processes occurring on the surface were characterized by cyclic voltammetry at 20 mV s-1 in 0.5 mol dm-3 aqueous H2SO4, at room temperature, and were controlled by the Ir3+/Ir4+ couple. The measured anodic voltammetric charge is related to the active area of the electrode showing that the replacement of TiO2 by PbO2 increases the surface area with the higher value being at 50 mol% PbO2. After oxygen evolution, the surface area increases slightly. Tafel slopes are independent of Pb content with the values around 60 mV decade-1, which suggest that only Ir sites are active for OER. The values of normalized current (i/q a show some inhibition of the OER as TiO2 is replaced by PbO2 suggesting that PbO2, can be a good choice, with potential to improve the selectivity of the system. The reaction order with respect to H+ ion is zero at constant overpotential and ionic strength. The values of Tafel slope and reaction order indicate that a single reaction mechanism is operating.

  15. Poly(D, L-lactide-co-glycolide) nanoparticles as delivery agents for photodynamic therapy: enhancing singlet oxygen release and photototoxicity by surface PEG coating.

    Science.gov (United States)

    Boix-Garriga, Ester; Acedo, Pilar; Casadó, Ana; Villanueva, Angeles; Stockert, Juan Carlos; Cañete, Magdalena; Mora, Margarita; Sagristá, Maria Lluïsa; Nonell, Santi

    2015-09-11

    Poly(D, L-lactide-co-glycolide) (PLGA) nanoparticles (NPs) are being considered as nanodelivery systems for photodynamic therapy. The physico-chemical and biological aspects of their use remain largely unknown. Herein we report the results of a study of PLGA NPs for the delivery of the model hydrophobic photosensitizer ZnTPP to HeLa cells. ZnTPP was encapsulated in PLGA with high efficiency and the NPs showed negative zeta potentials and diameters close to 110 nm. Poly(ethylene glycol) (PEG) coating, introduced to prevent opsonization and clearance by macrophages, decreased the size and zeta potential of the NPs by roughly a factor of two and improved their stability in the presence of serum proteins. Photophysical studies revealed two and three populations of ZnTPP and singlet oxygen in uncoated and PEGylated NPs, respectively. Singlet oxygen is confined within the NPs in bare PLGA while it is more easily released into the external medium after PEG coating, which contributes to a higher photocytotoxicity towards HeLa cells in vitro. PLGA NPs are internalized by endocytosis, deliver their cargo to lysosomes and induce cell death by apoptosis upon exposure to light. In conclusion, PLGA NPs coated with PEG show high potential as delivery systems for photodynamic applications.

  16. Oxygen and silicon stable isotopes of diatom silica. Reconstructing changes in surface water hydrography and silicic acid utilization in the late Pleistocene subarctic Pacific

    International Nuclear Information System (INIS)

    Maier, Edith

    2014-01-01

    Deglacial variations in upper ocean nutrient dynamics and stratification in high latitudes, as well as associated changes in thermohaline overturning circulation, are thought to have played a key role in changing atmospheric CO 2 concentrations. This thesis examines the relationship between past changes in subarctic Pacific upper ocean stratification and nutrient (silicic acid) utilization, using oxygen and silicon stable isotopes of diatom silica, for the first time at millennial-scale resolution and analyzed with a new and efficient instrumentation set-up. The isotopic data, presented in three manuscripts, show a consistent picture of millennial-scale variability in upper ocean stratification and silicic acid utilization during the last ∝50 ka BP, e.g. indicating that the subarctic Pacific was a source region for atmospheric CO 2 during the last deglaciation (late Heinrich Stadial 1 and the Boelling/Alleroed). The presented results demonstrate the high potential of combined diatom oxygen and silicon stable isotope analysis especially for, but not restricted to, marine regions characterized by a low biogenic carbonate content like the subarctic Pacific and the Southern Ocean.

  17. Oxygen and silicon stable isotopes of diatom silica. Reconstructing changes in surface water hydrography and silicic acid utilization in the late Pleistocene subarctic Pacific

    Energy Technology Data Exchange (ETDEWEB)

    Maier, Edith

    2014-03-05

    Deglacial variations in upper ocean nutrient dynamics and stratification in high latitudes, as well as associated changes in thermohaline overturning circulation, are thought to have played a key role in changing atmospheric CO{sub 2} concentrations. This thesis examines the relationship between past changes in subarctic Pacific upper ocean stratification and nutrient (silicic acid) utilization, using oxygen and silicon stable isotopes of diatom silica, for the first time at millennial-scale resolution and analyzed with a new and efficient instrumentation set-up. The isotopic data, presented in three manuscripts, show a consistent picture of millennial-scale variability in upper ocean stratification and silicic acid utilization during the last ∝50 ka BP, e.g. indicating that the subarctic Pacific was a source region for atmospheric CO{sub 2} during the last deglaciation (late Heinrich Stadial 1 and the Boelling/Alleroed). The presented results demonstrate the high potential of combined diatom oxygen and silicon stable isotope analysis especially for, but not restricted to, marine regions characterized by a low biogenic carbonate content like the subarctic Pacific and the Southern Ocean.

  18. Bubble dynamic templated deposition of three-dimensional palladium nanostructure catalysts: Approach to oxygen reduction using macro-, micro-, and nano-architectures on electrode surfaces

    International Nuclear Information System (INIS)

    Yang Guimei; Chen Xing; Li Jie; Guo Zheng; Liu Jinhuai; Huang Xingjiu

    2011-01-01

    Highlights: → We synthesize the Pd nanostructures by bubbles dynamic templated. → We obtain Pd nanobuds and Pd nanodendrites by changing the reaction precursor. → We obtain Pd macroelectrode voltammertric behavior using small amount of Pd materials. → We proved a ECE process. → The Pd nanostructures/GCE for O 2 reduction is a 2-step 4-electron process. - Abstract: Three-dimensional (3D) palladium (Pd) nanostructures (that is, nano-buds or nano-dendrites) are fabricated by bubble dynamic templated deposition of Pd onto a glassy carbon electrode (GCE). The morphology can be tailored by changing the precursor concentration and reaction time. Scanning electron microscopy images reveal that nano-buds or nano-dendrites consist of nanoparticles of 40-70 nm in diameter. The electrochemical reduction of oxygen is reported at such kinds of 3D nanostructure electrodes in aqueous solution. Data were collected using cyclic voltammetry. We demonstrate the Pd macroelectrode behavior of Pd nanostructure modified electrode by exploiting the diffusion model of macro-, micro-, and nano-architectures. In contrast to bare GCE, a significant positive shift and splitting of the oxygen reduction peak (vs Ag/AgCl/saturated KCl) at Pd nanostructure modified GCE was observed.

  19. Oxygen therapy for cystic fibrosis.

    Science.gov (United States)

    Elphick, Heather E; Mallory, George

    2013-07-25

    The most serious complications of cystic fibrosis (CF) relate to respiratory insufficiency. Oxygen supplementation therapy has long been a standard of care for individuals with chronic lung diseases associated with hypoxemia. Physicians commonly prescribe oxygen therapy for people with CF when hypoxemia occurs. However, it is unclear if empiric evidence is available to provide indications for this therapy with its financial costs and often profound impact on lifestyle. To assess whether oxygen therapy improves the longevity or quality of life of individuals with CF. We searched the Cochrane Cystic Fibrosis and Genetic Disorders Group Trials Register, comprising references identified from comprehensive electronic database searches and handsearches of relevant journals and abstract books of conference proceedings.Latest search of Group's Trials Register: 15 May 2013. Randomized or quasi-randomized controlled trials comparing oxygen, administered at any concentration, by any route, in people with documented CF for any time period. Authors independently assessed the risk of bias for included studies and extracted data. This review includes 11 published studies (172 participants); only one examined long-term oxygen therapy (28 participants). There was no statistically significant improvement in survival, lung, or cardiac health. There was an improvement in regular attendance at school or work in those receiving oxygen therapy at 6 and 12 months. Four studies examined the effect of oxygen supplementation during sleep by polysomnography. Although oxygenation improved, mild hypercapnia was noted. Participants fell asleep quicker and spent a reduced percentage of total sleep time in rapid eye movement sleep, but there were no demonstrable improvements in qualitative sleep parameters. Six studies evaluated oxygen supplementation during exercise. Again, oxygenation improved, but mild hypercapnia resulted. Participants receiving oxygen therapy were able to exercise for a

  20. Vacuum ultraviolet-induced surface modification of cyclo-olefin polymer substrates for photochemical activation bonding

    International Nuclear Information System (INIS)

    Kim, Young-Jong; Taniguchi, Yoshinao; Murase, Kuniaki; Taguchi, Yoshihiro; Sugimura, Hiroyuki

    2009-01-01

    The surface of cyclo-olefin polymer (COP) was treated with vacuum ultraviolet (VUV) light at 172 nm wavelength to improve the wettability and adhesion properties. Through VUV treatment in air, the terminal groups of the COP surface were oxidized into oxygen functional groups, containing C-O, C=O, and COO components, making the COP surface hydrophilic. The extent of oxygenation was evaluated by XPS and FTIR-ATR spectra, and it was shown that the surface properties, hydrophilicity, and functionalization were dependent on both VUV irradiation distance and irradiation time, which have an effect on the concentration of oxygen functional groups. VUV-light treatment with a short irradiation distance was more effective in introducing oxygen functional groups.

  1. Electro-deposition of Pd on Carbon paper and Ni foam via surface limited redox-replacement reaction for oxygen reduction reaction: Presentation

    CSIR Research Space (South Africa)

    Modibedi, M

    2013-03-01

    Full Text Available during the catalyst preparation process, Pd nanosturctures are grown directly on fuel cell gas diffusion layers and evaluated for the ORR. Pd nanostructures were synthesized via surface-limited redox replacement (SLRR) reaction employing...

  2. Electro-deposition of Pd on carbon paper and Ni foam via surface limited redox-replacement reaction for oxygen reduction reaction

    CSIR Research Space (South Africa)

    Modibedi, RM

    2014-05-01

    Full Text Available Pd nanostructured catalysts were electrodeposited by surface-limited redox replacement reactions usingthe electrochemical atomic layer deposition technique. Carbon paper and Ni foam were used as substratesfor the electrodeposition of the metal...

  3. Hyperbaric oxygen and radiotherapy

    International Nuclear Information System (INIS)

    Mayer, R.; Hamilton-Farrell, M.R.; Kleij, A.J. van der

    2005-01-01

    Background: Hyperbaric oxygen (HBO) therapy is the inhalation of 100% oxygen at a pressure of at least 1.5 atmospheres absolute (150 kPa). It uses oxygen as a drug by dissolving it in the plasma and delivering it to the tissues independent of hemoglobin. For a variety of organ systems, HBO is known to promote new vessel growth into areas with reduced oxygen tension due to poor vascularity, and therewith promotes wound healing and recovery of radiation-injured tissue. Furthermore, tumors may be sensitized to irradiation by raising intratumoral oxygen tensions. Methods: A network of hyperbaric facilities exists in Europe, and a number of clinical studies are ongoing. The intergovernmental framework COST B14 action 'Hyperbaric Oxygen Therapy' started in 1999. The main goal of the Working Group Oncology is preparation and actual implementation of prospective study protocols in the field of HBO and radiation oncology in Europe. Results: In this paper a short overview on HBO is given and the following randomized clinical studies are presented: (a) reirradiation of recurrent squamous cell carcinoma of the head and neck after HBO sensitization; (b) role of HBO in enhancing radiosensitivity on glioblastoma multiforme; (c) osseointegration in irradiated patients; adjunctive HBO to prevent implant failures; (d) the role of HBO in the treatment of late irradiation sequelae in the pelvic region. The two radiosensitization protocols (a, b) allow a time interval between HBO and subsequent irradiation of 10-20 min. Conclusion: Recruitment of centers and patients is being strongly encouraged, detailed information is given on www.oxynet.org. (orig.)

  4. Genetic Variations in the Human G Protein-coupled Receptor Class C, Group 6, Member A (GPRC6A) Control Cell Surface Expression and Function

    DEFF Research Database (Denmark)

    Jorgensen, Stine; Have, Christian Theil; Underwood, Christina Rye

    2017-01-01

    GPRC6A is a G protein-coupled receptor activated by l-amino acids, which, based on analyses of knock-out mice, has been suggested to have physiological functions in metabolism and testicular function. The human ortholog is, however, mostly retained intracellularly in contrast to the cell surface...... of the human ortholog. Genetic analyses of the 1000 genome database and the Inter99 cohort of 6,000 Danes establish the distribution of genotypes among ethnic groups, showing that the cell surface-expressed and functional variant is much more prevalent in the African population than in European and Asian...

  5. Effects of Surface Charge and Functional Groups on the Adsorption and Binding Forms of Cu and Cd on Roots of indica and japonica Rice Cultivars

    Directory of Open Access Journals (Sweden)

    Zhao-Dong Liu

    2017-08-01

    Full Text Available This work was designed to understand the mechanisms of adsorption of copper (Cu and cadmium (Cd on roots of indica and japonica varieties of rice. Six varieties each of indica and japonica rice were grown in hydroponics and the chemical properties of the root surface were analyzed, including surface charges and functional groups (-COO- groups as measured by the streaming potential and attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR. Binding forms of heavy metals adsorbed on rice roots were identified using sequential extraction methods. In rice roots exposed to Cu and Cd solutions, Cu existed mainly in both exchangeable and complexed forms, whereas Cd existed mainly in the exchangeable form. The amounts of exchangeable Cu and Cd and total adsorbed metal cations on the roots of indica varieties were significantly greater than those on the roots of japonica varieties, and the higher negative charges and the larger number of functional groups on the roots of indica varieties were responsible for their higher adsorption capacity and greater binding strength for Cu and Cd. Surface charge and functional groups on roots play an important role in the adsorption of Cu and Cd on the rice roots.

  6. Studies of initial stage in coal liquefaction. Effect of decomposition of oxygen-functional groups on coal liquefaction; Ekika hanno no shoki katei ni kansuru kenkyu. 3. Gansanso kannoki no bunkai kyodo to ekika hanno eno eikyo

    Energy Technology Data Exchange (ETDEWEB)

    Komeiji, A.; Kaneko, T.; Shimazaki, K. [Nippon Brown Coal Liquefaction Co. Ltd., Tokyo (Japan)

    1996-10-28

    Pretreatment of brown coal in oil was conducted using 1-methyl naphthalene or mixture of tetralin and 1-methyl naphthalene as solvent at temperatures ranging from 300 to 430{degree}C under nitrogen atmosphere. Effects of the solvent properties on the structural change of oxygen-functional groups (OFG) and coal liquefaction were investigated by means of quantitative analysis of OFG and solid state {sup 13}C-NMR measurement. When hydrogen transfer from solvent was insufficient, it was suggested that brown coal molecules loose their hydrogen to be aromatized. While, at lower temperatures ranging from 300 to 350{degree}C, hydrogen contained in brown coal molecules was consumed for the stabilization of pyrolytic radicals, and the deterioration of liquefaction was not observed. When hydrogen transfer from solvent was insufficient at higher temperatures above 400{degree}C in nitrogen atmosphere during pretreatment in oil, crosslinking like benzofuran type was formed by dehydration condensation of hydroxyl group in brown coal, to deteriorate the liquefaction, remarkably. The addition of donor solvent like tetralin decreased the formation of crosslinking like benzofuran type, which suppressed the deterioration of liquefaction. 8 refs., 5 figs.

  7. Towards the elucidation of the high oxygen electroreduction activity of PtxY: surface science and electrochemical studies of Y/Pt(111)

    DEFF Research Database (Denmark)

    Johansson, Tobias Peter; Ulrikkeholm, Elisabeth Therese; Hernandez-Fernandez, Patricia

    2014-01-01

    programmed desorption of CO. When depositing a large amount of yttrium at 1173 K, a (1.88 × 1.88)R30° structure relative to Pt(111) was observed by low energy electron diffraction. Such an electron diffraction pattern could correspond to a (2 × 2)R30° structure under 6% compressive strain. This structure...... is in agreement with the structure of the vacancies in a Pt Kagomé layer in Pt5Y rotated 30° with respect to the bulk of the Pt(111). The Pt overlayer is relatively stable in air; however, after performing oxygen reduction activity measurements in an electrochemical cell, a thick Pt overlayer was measured...

  8. Whistle emissions of Indo-Pacific bottlenose dolphins (Tursiops aduncus) differ with group composition and surface behaviors.

    Science.gov (United States)

    Hawkins, Elizabeth R; Gartside, Donald F

    2010-04-01

    The intricate and highly developed acoustic communication system of bottlenose dolphins reflects the complexities of their social organization. Indo-Pacific bottlenose dolphins (Tursiops aduncus) produce numerous types of acoustic emissions, including a diverse repertoire of whistles used for communicative purposes. The influence of group composition on whistle production and the function of different whistles produced by dolphins in wild contexts are relatively unknown. Recordings of acoustic emissions and behavior of dolphins were made concurrently during vessel-based surveys along the coast of northern New South Wales, Australia. Whistles were divided into five tonal classes (sine, rise, down-sweep, flat, and concave) and categorized into distinct whistle types. It is shown that while whistle repetition rate and whistle diversity was influenced by group composition, it is not influenced by behavior. Noncalf groups produced a significantly higher whistle repetition rate and whistle diversity than calf groups. In contrast, the types of whistles produced were related to the behavior in which the dolphins were engaged in: some tonal classes and distinct whistle types were related to different behavior states. Findings suggested that some whistle types may be used to communicate specific information on the behavioral context of the individuals involved.

  9. Attenuation of Scattered Thermal Energy Atomic Oxygen

    Science.gov (United States)

    Banks, Bruce A.; Seroka, Katelyn T.; McPhate, Jason B.; Miller, Sharon K.

    2011-01-01

    The attenuation of scattered thermal energy atomic oxygen is relevant to the potential damage that can occur within a spacecraft which sweeps through atomic oxygen in low Earth orbit (LEO). Although there can be significant oxidation and resulting degradation of polymers and some metals on the external surfaces of spacecraft, there are often openings on a spacecraft such as telescope apertures, vents, and microwave cavities that can allow atomic oxygen to enter and scatter internally to the spacecraft. Atomic oxygen that enters a spacecraft can thermally accommodate and scatter to ultimately react or recombine on surfaces. The atomic oxygen that does enter a spacecraft can be scavenged by use of high erosion yield polymers to reduce its reaction on critical surfaces and materials. Polyoxymethylene and polyethylene can be used as effective atomic oxygen scavenging polymers.

  10. Oxygen isotopes implanted in the LDEF spacecraft

    Science.gov (United States)

    Saxton, J. M.; Lyon, I. C.; Chatzitheodoridis, E.; Vanlierde, P.; Gilmour, J. D.; Turner, G.

    1993-01-01

    Secondary ion mass spectrometry was used to study oxygen implanted in the surface of copper from the Long Duration Exposure Facility (LDEF). Oxidation that occurred in orbit shows a characteristic oxygen isotope composition, depleted in O-18. The measured depletion is comparable to the predicted depletion (45 percent) based on a model of the gravitational separation of the oxygen isotopes. The anomalous oxygen was contained within 10nm of the surface. Tray E10 was calculated to have received 5.14 x 10(exp 21) atoms of oxygen cm(sup -2) during the LDEF mission and so there is sufficient anomalous implanted oxygen present in the surface to obtain a reliable isotopic profile.

  11. Surface wave group velocity in the Osaka sedimentary basin, Japan, estimated using ambient noise cross-correlation functions