Sample records for adsorbed atomic oxygen

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

    PubMed

    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.

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

    PubMed Central

    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. PMID:28301544

  3. Atomic and molecular oxygen adsorbed on (111) transition metal surfaces: Cu and Ni

    NASA Astrophysics Data System (ADS)

    López-Moreno, S.; Romero, A. H.

    2015-04-01

    Density functional theory is used to investigate the reaction of oxygen with clean copper and nickel [111]-surfaces. We study several alternative adsorption sites for atomic and molecular oxygen on both surfaces. The minimal energy geometries and adsorption energies are in good agreement with previous theoretical studies and experimental data. From all considered adsorption sites, we found a new O2 molecular precursor with two possible dissociation paths on the Cu(111) surface. Cross barrier energies for the molecular oxygen dissociation have been calculated by using the climbing image nudge elastic band method, and direct comparison with experimental results is performed. Finally, the structural changes and adsorption energies of oxygen adsorbed on surface when there is a vacancy nearby the adsorption site are also considered.

  4. Atomic and molecular oxygen adsorbed on (111) transition metal surfaces: Cu and Ni.

    PubMed

    López-Moreno, S; Romero, A H

    2015-04-21

    Density functional theory is used to investigate the reaction of oxygen with clean copper and nickel [111]-surfaces. We study several alternative adsorption sites for atomic and molecular oxygen on both surfaces. The minimal energy geometries and adsorption energies are in good agreement with previous theoretical studies and experimental data. From all considered adsorption sites, we found a new O2 molecular precursor with two possible dissociation paths on the Cu(111) surface. Cross barrier energies for the molecular oxygen dissociation have been calculated by using the climbing image nudge elastic band method, and direct comparison with experimental results is performed. Finally, the structural changes and adsorption energies of oxygen adsorbed on surface when there is a vacancy nearby the adsorption site are also considered.

  5. Active site densities, oxygen activation and adsorbed reactive oxygen in alcohol activation on npAu catalysts

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wang, Lu-Cun; Friend, C. M.; Fushimi, Rebecca

    The activation of molecular O 2as well as the reactivity of adsorbed oxygen species is of central importance in aerobic selective oxidation chemistry on Au-based catalysts. Herein, we address the issue of O 2activation on unsupported nanoporous gold (npAu) catalysts by applying a transient pressure technique, a temporal analysis of products (TAP) reactor, to measure the saturation coverage of atomic oxygen, its collisional dissociation probability, the activation barrier for O 2dissociation, and the facility with which adsorbed O species activate methanol, the initial step in the catalytic cycle of esterification. The results from these experiments indicate that molecular O 2dissociationmore » is associated with surface silver, that the density of reactive sites is quite low, that adsorbed oxygen atoms do not spill over from the sites of activation onto the surrounding surface, and that methanol reacts quite facilely with the adsorbed oxygen atoms. In addition, the O species from O 2dissociation exhibits reactivity for the selective oxidation of methanol but not for CO. The TAP experiments also revealed that the surface of the npAu catalyst is saturated with adsorbed O under steady state reaction conditions, at least for the pulse reaction.« less

  6. Active site densities, oxygen activation and adsorbed reactive oxygen in alcohol activation on npAu catalysts

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wang, Lu-Cun; Friend, C. M.; Fushimi, Rebecca

    2016-01-01

    The activation of molecular O 2as well as the reactivity of adsorbed oxygen species is of central importance in aerobic selective oxidation chemistry on Au-based catalysts. Herein, we address the issue of O 2activation on unsupported nanoporous gold (npAu) catalysts by applying a transient pressure technique, a temporal analysis of products (TAP) reactor, to measure the saturation coverage of atomic oxygen, its collisional dissociation probability, the activation barrier for O 2dissociation, and the facility with which adsorbed O species activate methanol, the initial step in the catalytic cycle of esterification. The results from these experiments indicate that molecular O 2dissociationmore » is associated with surface silver, that the density of reactive sites is quite low, that adsorbed oxygen atoms do not spill over from the sites of activation onto the surrounding surface, and that methanol reacts quite facilely with the adsorbed oxygen atoms. In addition, the O species from O 2dissociation exhibits reactivity for the selective oxidation of methanol but not for CO. The TAP experiments also revealed that the surface of the npAu catalyst is saturated with adsorbed O under steady state reaction conditions, at least for the pulse reaction.« less

  7. Interplay between O2 and SnO2: oxygen ionosorption and spectroscopic evidence for adsorbed oxygen.

    PubMed

    Gurlo, Alexander

    2006-10-13

    Tin dioxide is the most commonly used material in commercial gas sensors based on semiconducting metal oxides. Despite intensive efforts, the mechanism responsible for gas-sensing effects on SnO(2) is not fully understood. The key step is the understanding of the electronic response of SnO(2) in the presence of background oxygen. For a long time, oxygen interaction with SnO(2) has been treated within the framework of the "ionosorption theory". The adsorbed oxygen species have been regarded as free oxygen ions electrostatically stabilized on the surface (with no local chemical bond formation). A contradiction, however, arises when connecting this scenario to spectroscopic findings. Despite trying for a long time, there has not been any convincing spectroscopic evidence for "ionosorbed" oxygen species. Neither superoxide ions O(2)(-), nor charged atomic oxygen O,(-) nor peroxide ions O(2)(2-) have been observed on SnO(2) under the real working conditions of sensors. Moreover, several findings show that the superoxide ion does not undergo transformations into charged atomic oxygen at the surface, and represents a dead-end form of low-temperature oxygen adsorption on reduced metal oxide.

  8. MoS2 interactions with 1.5 eV atomic oxygen

    NASA Technical Reports Server (NTRS)

    Martin, J. A.; Cross, J. B.; Pope, L. E.

    1989-01-01

    Exposures of MoS2 to 1.5-eV atomic oxygen in an anhydrous environment reveal that the degree of oxidation is essentially independent of crystallite orientation, and that the surface-adsorbed reaction products are MoO3 and MoO2. A mixture of oxides and sulfide exists over a depth of about 90 A, and this layer has a low diffusion rate for oxygen. It is concluded that a protective oxide layer forms on MoS2 on exposure to the atomic-oxygen-rich environment of LEO.

  9. Atomic Oxygen Fluence Monitor

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.

    2011-01-01

    This innovation enables a means for actively measuring atomic oxygen fluence (accumulated atoms of atomic oxygen per area) that has impinged upon spacecraft surfaces. Telemetered data from the device provides spacecraft designers, researchers, and mission managers with real-time measurement of atomic oxygen fluence, which is useful for prediction of the durability of spacecraft materials and components. The innovation is a compact fluence measuring device that allows in-space measurement and transmittance of measured atomic oxygen fluence as a function of time based on atomic oxygen erosion yields (the erosion yield of a material is the volume of material that is oxidized per incident oxygen atom) of materials that have been measured in low Earth orbit. It has a linear electrical response to atomic oxygen fluence, and is capable of measuring high atomic oxygen fluences (up to >10(exp 22) atoms/sq cm), which are representative of multi-year low-Earth orbital missions (such as the International Space Station). The durability or remaining structural lifetime of solar arrays that consist of polymer blankets on which the solar cells are attached can be predicted if one knows the atomic oxygen fluence that the solar array blanket has been exposed to. In addition, numerous organizations that launch space experiments into low-Earth orbit want to know the accumulated atomic oxygen fluence that their materials or components have been exposed to. The device is based on the erosion yield of pyrolytic graphite. It uses two 12deg inclined wedges of graphite that are over a grit-blasted fused silica window covering a photodiode. As the wedges erode, a greater area of solar illumination reaches the photodiode. A reference photodiode is also used that receives unobstructed solar illumination and is oriented in the same direction as the pyrolytic graphite covered photodiode. The short-circuit current from the photodiodes is measured and either sent to an onboard data logger, or

  10. Atomic Oxygen Effects

    NASA Technical Reports Server (NTRS)

    Miller, Sharon K. R.

    2014-01-01

    Atomic oxygen, which is the most predominant species in low Earth orbit, is highly reactive and can break chemical bonds on the surface of a wide variety of materials leading to volatilization or surface oxidation which can result in failure of spacecraft materials and components. This presentation will give an overview of how atomic oxygen reacts with spacecraft materials, results of space exposure testing of a variety of materials, and examples of failures caused by atomic oxygen.

  11. Atomic Oxygen Textured Polymers

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.; Rutledge, Sharon K.; Hunt, Jason D.; Drobotij, Erin; Cales, Michael R.; Cantrell, Gidget

    1995-01-01

    Atomic oxygen can be used to microscopically alter the surface morphology of polymeric materials in space or in ground laboratory facilities. For polymeric materials whose sole oxidation products are volatile species, directed atomic oxygen reactions produce surfaces of microscopic cones. However, isotropic atomic oxygen exposure results in polymer surfaces covered with lower aspect ratio sharp-edged craters. Isotropic atomic oxygen plasma exposure of polymers typically causes a significant decrease in water contact angle as well as altered coefficient of static friction. Such surface alterations may be of benefit for industrial and biomedical applications. The results of atomic oxygen plasma exposure of thirty-three (33) different polymers are presented, including typical morphology changes, effects on water contact angle, and coefficient of static friction.

  12. Electronic and magnetic properties of nonmetal atoms adsorbed ReS{sub 2} monolayers

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zhang, Xiaoou; Li, Qingfang, E-mail: qingfangli@nuist.edu.cn; Department of Physics, Nanjing University of Information Science and Technology, Nanjing 210044

    2015-08-14

    The stable configurations and electronic and magnetic properties of nonmetal atoms (H, N, P, O, S, F, and Cl) adsorbed ReS{sub 2} monolayers have been investigated by first-principles calculations. It is found that H, O, S, F, and Cl prefer to occupy the peak sites of S atoms, while both N and P atoms favor the valley sites of S atoms. The ReS{sub 2} sheet exhibits a good adsorption capability to nonmetal atoms. The reconstruction of the surface is pronounced in N- and P-adsorbed ReS{sub 2} monolayers. In H-adsorbed case, the Fermi level is pulled into the conduction band, whichmore » results in the semiconductor-metal transition. The same magnetic moment of 1μ{sub B} is found in the N-, P-, F-, and Cl-adsorbed ReS{sub 2} monolayers, while the mechanisms of forming magnetic moment for N (P)- and F (Cl)-adsorbed cases are different. In addition, the spatial extensions of spin density in P-, F-, and Cl-adsorbed cases are larger than that in N-adsorbed case, which is more suitable to achieve long-range magnetic coupling interaction at low defect concentrations. Our results provide insight for achieving metal-free magnetism and a tunable band gap for various electronic and spintronic devices based on ReS{sub 2}.« less

  13. Performance evaluation of oxygen adsorbents using negative corona discharge-ion mobility spectrometry.

    PubMed

    Azadkish, Kamal; Jafari, Mohammad T; Ghaziaskar, Hassan S

    2017-02-08

    Trace amounts of oxygen was determined using negative corona discharge as an ionization source for ion mobility spectrometry. A point-in-cylinder geometry with novel design was used to establish the corona discharge without interferences of negative ions such as NO X - . The desirable background spectrum shows only electrons peak, providing the instrument capable of trace analysis of oxygen in gaseous samples. The limit of detection and linear dynamic range with high coefficient of determination (r 2  = 0.9997), were obtained for oxygen as 8.5 and 28-14204 ppm, respectively. The relative standard deviations of the method for intraday and interday were obtained 4 and 11%, respectively. The satisfactory results revealed the ability of the negative corona discharge ion mobility spectrometry for investigating the performance of synthesized oxygen adsorbents in nitrogen streams. Two oxygen scavengers of MnO and Cu powder were prepared and the optimum temperature of the reactor containing MnO and Cu powder were obtained as 180 and 230 °C, respectively. Due to higher lifetime of copper powder, it was selected as the oxygen scavenger and some parameters such as: the type of adsorbent support, the size of adsorbent particles, and the amount of copper were studied for preparation of more efficient oxygen adsorbent. Copyright © 2016 Elsevier B.V. All rights reserved.

  14. Atomic Oxygen Task

    NASA Technical Reports Server (NTRS)

    Hadaway, James B.

    1997-01-01

    This report details work performed by the Center for Applied Optics (CAO) at the University of Alabama in Huntsville (UAH) on the contract entitled 'Atomic Oxygen Task' for NASA's Marshall Space Flight Center (contract NAS8-38609, Delivery Order 109, modification number 1). Atomic oxygen effects on exposed materials remain a critical concern in designing spacecraft to withstand exposure in the Low Earth Orbit (LEO) environment. The basic objective of atomic oxygen research in NASA's Materials & Processes (M&P) Laboratory is to provide the solutions to material problems facing present and future space missions. The objective of this work was to provide the necessary research for the design of specialized experimental test configurations and development of techniques for evaluating in-situ space environmental effects, including the effects of atomic oxygen and electromagnetic radiation on candidate materials. Specific tasks were performed to address materials issues concerning accelerated environmental testing as well as specifically addressing materials issues of particular concern for LDEF analysis and Space Station materials selection.

  15. First-principles studies on 3d transition metal atom adsorbed twin graphene

    NASA Astrophysics Data System (ADS)

    Li, Lele; Zhang, Hong; Cheng, Xinlu; Miyamoto, Yoshiyuki

    2018-05-01

    Twin graphene is a new two-dimensional semiconducting carbon allotrope which is proposed recently. The structural, magnetic and electronic properties are investigated for 3d transition metal (TM) atom adsorbed twin graphene by means of GGA+U calculations. The results show most of single 3d transition metal atom except Zn can make twin graphene magnetization. The adsorption of single TM atom can also make the twin graphene systems turn to half metal (V adsorption), half-semiconductor (Fe adsorption) or metal (Sc, Cr, Mn, Co and Cu adsorption). The semiconducting nature still exists for Ti, Ni and Zn adsorption. All the 3d TM adatoms belong to n-type doping for transferring charge to the neighboring C atoms and have strong covalent bond with these C atoms. The influence of Hubbard U value on half-metallic V adsorbed system is also considered. As the U increases, the system can gradually transform from metal to half metal and metal. The effect of the coverage is investigated for two TM atoms (Sc-Fe) adsorption, too. We can know TM atoms adsorbed twin graphene have potentials to be spintronic device and nanomagnets from the results.

  16. Electronic structure studies of adsorbate-induced surface reconstructions: oxygen on Rh(1 0 0)

    NASA Astrophysics Data System (ADS)

    Kirsch, Janet E.; Harris, Suzanne

    2004-03-01

    Solid-state Fenske-Hall band structure calculations have been used to study the electronic structure and bonding that occur on an "asymmetric" clock reconstructed Rh(1 0 0) surface with a half-monolayer of O atom adsorbates. The displacement of the top-layer Rh atoms on reconstructed O/Rh(1 0 0) is similar to that observed when a half-monolayer of C or N atoms adsorb onto clean Ni(1 0 0). Unlike the five-coordinate C or N adsorbates that adsorb into effectively coplanar sites on the Ni(1 0 0) surface, however, O atoms sit well above the Rh surface plane and occupy three-coordinate adsorption sites. The results of these calculations show that the asymmetric clock reconstruction of O/Rh(1 0 0) increases the negative charge localized on the highly electronegative O atoms and strengthens the O-Rh bonding relative to an unreconstructed surface. This suggests that, in contrast to the C(N)/Ni(1 0 0) clock, which appears to be driven primarily by the restoration of metal-metal bonding, the asymmetric O/Rh(1 0 0) clock reconstruction is driven by the optimization of the O atom bonding environment. Comparisons of the O/Rh(1 0 0) and C(N, O)/Ni(1 0 0) surfaces further indicate that the electronegativity and electron count of the adsorbed species, as well as the electron count and physical size of the metal, all play a role in determining the preferred atomic geometries of these adsorbate-covered transition metal surfaces.

  17. Atomic scale friction of molecular adsorbates during diffusion.

    PubMed

    Lechner, B A J; de Wijn, A S; Hedgeland, H; Jardine, A P; Hinch, B J; Allison, W; Ellis, J

    2013-05-21

    Experimental observations suggest that molecular adsorbates exhibit a larger friction coefficient than atomic species of comparable mass, yet the origin of this increased friction is not well understood. We present a study of the microscopic origins of friction experienced by molecular adsorbates during surface diffusion. Helium spin-echo measurements of a range of five-membered aromatic molecules, cyclopentadienyl, pyrrole, and thiophene, on a copper(111) surface are compared with molecular dynamics simulations of the respective systems. The adsorbates have different chemical interactions with the surface and differ in bonding geometry, yet the measurements show that the friction is greater than 2 ps(-1) for all these molecules. We demonstrate that the internal and external degrees of freedom of these adsorbate species are a key factor in the underlying microscopic processes and identify the rotation modes as the ones contributing most to the total measured friction coefficient.

  18. The structural and electronic properties of metal atoms adsorbed on graphene

    NASA Astrophysics Data System (ADS)

    Liu, Wenjiang; Zhang, Cheng; Deng, Mingsen; Cai, Shaohong

    2017-09-01

    Based on density functional theory (DFT), we studied the structural and electronic properties of seven different metal atoms adsorbed on graphene (M + graphene). The geometries, adsorption energies, density of states (DOS), band structures, electronic dipole moment, magnetic moment and work function (WF) of M + graphene were calculated. The adsorption energies ΔE indicated that Li, Na, K, Ca and Fe adsorbed on graphene were tending to form stable structures. However, diffusion would occur on Cu and Ag adsorbed on graphene. In addition, the electronic structure near the Fermi level of graphene was significantly affected by Fe (Cu and Ag), compared with Li (Na, K and Ca). The electronic dipole moment and magnetic moment of M + graphene were sensitive to the adsorbed metal atoms. Moreover, we found electropositive (electronegative) adsorption can decrease (increase) the WF of the surface. Specially, the WF of Ag + graphene and Fe + graphene would increase because surface dipole moment make a contribution to electron.

  19. Method for producing an atomic oxygen beam

    NASA Technical Reports Server (NTRS)

    Outlaw, Ronald A. (Inventor)

    1989-01-01

    A method for producing an atomic oxygen beam is provided by the present invention. First, a material 10' is provided which dissociates molecular oxygen and dissolves atomic oxygen into its bulk. Next, molecular oxygen is exposed to entrance surface 11' of material 10'. Next, material 10' is heated by heater 17' to facilitate the permeation of atomic oxygen through material 10' to the UHV side 12'. UHV side 12' is interfaced with an ultra-high vacuum (UHV) environment provided by UHV pump 15'. The atomic oxygen on the UHV side 12' is excited to a non-binding state by exciter 14' thus producing the release of atomic oxygen to form an atomic oxygen beam 35'.

  20. XPS of oxygen atoms on Ag(111) and Ag(110) surfaces: accurate study with SAC/SAC-CI combined with dipped adcluster model.

    PubMed

    Ishikawa, Atsushi; Nakatsuji, Hiroshi

    2013-08-05

    O1s core-electron binding energies (CEBE) of the atomic oxygens on different Ag surfaces were investigated by the symmetry adapted cluster-configuration interaction (SAC-CI) method combined with the dipped adcluster model, in which the electron exchange between bulk metal and adsorbate is taken into account properly. Electrophilic and nucleophilic oxygens (O(elec) and O(nuc)) that might be important for olefin epoxidation in a low-oxygen coverage condition were focused here. We consider the O1s CEBE as a key property to distinguish the surface oxygen states, and series of calculation was carried out by the Hartree-Fock, Density functional theory, and SAC/SAC-CI methods. The experimental information and our SAC/SAC-CI results indicate that O(elec) is the atomic oxygen adsorbed on the fcc site of Ag(111) and that O(nuc) is the one on the reconstructed added-row site of Ag(110) and that one- and two-electron transfers occur, respectively, to the O(elec) and O(nuc) adclusters from the silver surface. Copyright © 2013 Wiley Periodicals, Inc.

  1. Atomic Oxygen Effects on Spacecraft Materials

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.; Miller, Sharon K. R.; deGroh, Kim K.; Demko, Rikako

    2003-01-01

    Low Earth orbital (LEO) atomic oxygen cannot only erode the external surfaces of polymers on spacecraft, but can cause degradation of surfaces internal to components on the spacecraft where openings to the space environment exist. Although atomic oxygen attack on internal or interior surfaces may not have direct exposure to the LEO atomic oxygen flux, scattered impingement can have can have serious degradation effects where sensitive interior surfaces are present. The effects of atomic oxygen erosion of polymers interior to an aperture on a spacecraft is simulated using Monte Carlo computational techniques. A 2-dimensional model is used to provide quantitative indications of the attenuation of atomic oxygen flux as a function of distance into a parallel walled cavity. The degree of erosion relative is compared between the various interior locations and the external surface of an LEO spacecraft.

  2. Attenuation of Scattered Thermal Energy Atomic Oxygen

    NASA Technical Reports Server (NTRS)

    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.

  3. Effect of adsorbed chlorine and oxygen on shear strength of iron and copper junctions

    NASA Technical Reports Server (NTRS)

    Wheeler, D. R.

    1975-01-01

    Static friction experiments were performed in ultrahigh vacuum at room temperature on copper, iron, and steel contacts selectively contaminated with oxygen and chlorine in submonolayer amounts. The concentration of the adsorbates was determined with Auger electron spectroscopy and was measured relative to the saturation concentration of oxygen on iron (concentration 1.0). The coefficient of static friction decreased with increasing adsorbate concentration. It was independent of the metal and the adsorbate. The results compared satisfactorily with an extension of the junction growth theory to heterogeneous interfaces. The reduction in interfacial shear strength was measured by the ratio sub a/sub m where sub a is the shear strength of the interface with an adsorbate concentration of 1.0, and sub m is the strength of the clean metal interface. This ratio was 0.835 + or - 0.012 for all the systems tested.

  4. Theoretical investigation of the use of nanocages with an adsorbed halogen atom as anode materials in metal-ion batteries.

    PubMed

    Razavi, Razieh; Abrishamifar, Seyyed Milad; Rajaei, Gholamreza Ebrahimzadeh; Kahkha, Mohammad Reza Rezaei; Najafi, Meysam

    2018-02-21

    The applicability of C 44 , B 22 N 22 , Ge 44 , and Al 22 P 22 nanocages, as well as variants of those nanocages with an adsorbed halogen atom, as high-performance anode materials in Li-ion, Na-ion, and K-ion batteries was investigated theoretically via density functional theory. The results obtained indicate that, among the nanocages with no adsorbed halogen atom, Al 22 P 22 would be the best candidate for a novel anode material for use in metal-ion batteries. Calculations also suggest that K-ion batteries which utilize these nanocages as anode materials would give better performance and would yield higher cell voltages than the corresponding Li-ion and Na-ion batteries with nanocage-based anodes. Also, the results for the nanocages with an adsorbed halogen atom imply that employing them as anode materials would lead to higher cell voltages and better metal-ion battery performance than if the nanocages with no adsorbed halogen atom were to be used as anode materials instead. Results further implied that nanocages with an adsorbed F atom would give higher cell voltages and better battery performance than nanocages with an adsorbed Cl or Br atom. We were ultimately able to conclude that a K-ion battery that utilized Al 21 P 22 with an adsorbed F atom as its anode material would afford the best metal-ion battery performance; we therefore propose this as a novel highly efficient metal-ion battery. Graphical abstract The results of a theoretical investigation indicated that Al 22 P 22 is a better candidate for a high-performance anode material in metal-ion batteries than Ge 44 is. Calculations also showed that K-ion batteries with nanocage-based anodes would produce higher cell voltages and perform better than the equivalent Li-ion and Na-ion batteries with nanocage-based anodes, and that anodes based on nanocages with an adsorbed F atom would perform better than anodes based on nanocages with an adsorbed Cl or Br atom.

  5. Scattered Atomic Oxygen Effects on Spacecraft Materials

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.; Miller, Sharon K. R.; deGroh, Kim K.; Demko, Rikako

    2003-01-01

    Low Earth orbital (LEO) atomic oxygen cannot only erode the external surfaces of polymers on spacecraft, but can cause degradation of surfaces internal to components on the spacecraft where openings to the space environment exist. Although atomic oxygen attack on internal or interior surfaces may not have direct exposure to the LEO atomic oxygen flux scattered impingement can have serious degradation effects where sensitive interior surfaces are present. The effects of atomic oxygen erosion of polymer interior to an aperture on a spacecraft is simulated using Monte Carlo computational techniques. A 2-dimensional model is used to provide quantitative indications of the attenuation of atomic oxygen flux as a function of distance into a parallel walled cavity. The degree of erosion re1ative is compared between the various interior locations and the external surface of a LEO spacecraft.

  6. Spin transport in oxygen adsorbed graphene nanoribbon

    NASA Astrophysics Data System (ADS)

    Kumar, Vipin

    2018-04-01

    The spin transport properties of pristine graphene nanoribbons (GNRs) have been most widely studied using theoretical and experimental tools. The possibilities of oxidation of fabricated graphene based nano electronic devices may change the device characteristics, which motivates to further explore the properties of graphene oxide nanoribbons (GONRs). Therefore, we present a systematic computational study on the spin polarized transport in surface oxidized GNR in antiferromagnetic (AFM) spin configuration using density functional theory combined with non-equilibrium Green's function (NEGF) method. It is found that the conductance in oxidized GNRs is significantly suppressed in the valance band and the conduction band. A further reduction in the conductance profile is seen in presence of two oxygen atoms on the ribbon plane. This change in the conductance may be attributed to change in the surface topology of the ribbon basal plane due to presence of the oxygen adatoms, where the charge transfer take place between the ribbon basal plane and the oxygen atoms.

  7. Vibrational Studies of Adsorbate-Induced Reconstruction on Molybdenum Surfaces.

    NASA Astrophysics Data System (ADS)

    Lopinski, Gregory Peter

    Adsorbate-induced rearrangement of the substrate structure strongly modifies the adsorbate-substrate and adsorbate-adsorbate interactions, leading to the complex behavior observed in many chemisorption systems. In this thesis the H/Mo(211), O/Mo(211) and Na/Mo(100) systems have been studied using high resolution electron energy loss spectroscopy (HREELS) to observe vibrations of the adsorbed atoms. The vibrational data is correlated with observations of the long-range order probed by LEED as well as the work function changes induced by adsorption. Adsorbate -induced substrate reconstruction plays an important role in all three of these systems. Studies of the coadsorption systems O+H/Mo(211) and Na+O/Mo(100) indicate how these effects can influence interactions between adsorbates. For H/Mo(211), above 1ML a (1 x 1) to (1 x 2) transition is observed and attributed to modification of the substrate periodicity. Below 1ML, H atoms are bridge bonded and induce local distortions of the substrate. The transition to the (1 x 2) phase involves the ordering of these displacements and occupation of three-fold sites partially populated by conversion of the bridge bonded species. This conversion accounts for the sawtooth-like coverage dependence of the work function. The structural model proposed for this system is also supported by the desorption parameters and partial molar entropy extracted from adsorption isobars. Oxygen adsorption on Mo(211) involves the occupation of multiple binding sites, with both the long-range order and the local geometry of the adsorbate phases strongly temperature dependent. Coadsorption of low coverages of oxygen and hydrogen leads to segregation of the two adsorbates which can be understood in terms of a substrate-mediated repulsive interaction between O and H. For Na/Mo(100), the frequency of the Na-Mo symmetric stretch mode does not shift with coverage although the mode intensity is strongly coverage dependent. The absence of a frequency shift

  8. Pulsed source of energetic atomic oxygen

    NASA Technical Reports Server (NTRS)

    Caledonia, George E.; Krech, Robert H.

    1987-01-01

    A pulsed high flux source of nearly monoenergetic atomic oxygen was designed, built, and successfully demonstrated. Molecular oxygen at several atmospheres pressure is introduced into an evacuated supersonic expansion nozzle through a pulsed molecular beam valve. An 18 J pulsed CO2 TEA laser is focused to intensities greater than 10(9) W/sq cm in the nozzle throat to generate a laser-induced breakdown. The resulting plasma is heated in excess of 20,000 K by a laser supported detonation wave, and then rapidly expands and cools. Nozzle geometry confines the expansion to provide rapid electron-ion recombination into atomic oxygen. Average O atom beam velocities from 5 to 13 km/s were measured at estimated fluxes to 10(18) atoms per pulse. Preliminary materials testing has produced the same surface oxygen enrichment in polyethylene samples as obtained on the STS-8 mission. Scanning electron microscope examinations of irradiated polymer surfaces reveal an erosion morphology similar to that obtained in low Earth orbit, with an estimated mass removal rate of approx. 10(-24) cu cm/atom. The characteristics of the O atom source and the results of some preliminary materials testing studies are reviewed.

  9. Tutorial on Atomic Oxygen Effects and Contamination

    NASA Technical Reports Server (NTRS)

    Miller, Sharon K.

    2017-01-01

    Atomic oxygen is the most predominant specie in low Earth orbit (LEO) and is contained in the upper atmosphere of many other planetary bodies. Formed by photo-dissociation of molecular oxygen, it is highly reactive and energetic enough to break chemical bonds on the surface of many materials and react with them to form either stable or volatile oxides. The extent of the damage for spacecraft depends a lot on how much atomic oxygen arrives at the surface, the energy of the atoms, and the reactivity of the material that is exposed to it. Oxide formation can result in shrinkage, cracking, or erosion which can also result in changes in optical, thermal, or mechanical properties of the materials exposed. The extent of the reaction can be affected by mechanical loading, temperature, and other environmental components such as ultraviolet radiation or charged particles. Atomic oxygen generally causes a surface reaction, but it can scatter under coatings and into crevices causing oxidation much farther into a spacecraft surface or structure than would be expected. Contamination can also affect system performance. Contamination is generally caused by arrival of volatile species that condense on spacecraft surfaces. The volatiles are typically a result of outgassing of materials that are on the spacecraft. Once the volatiles are condensed on a surface, they can then be fixed on the surface by ultraviolet radiation andor atomic oxygen reaction to form stable surface contaminants that can change optical and thermal properties of materials in power systems, thermal systems, and sensors. This tutorial discusses atomic oxygen erosion and contaminate formation, and the effect they have on typical spacecraft materials. Scattering of atomic oxygen, some effects of combined environments and examples of effects of atomic oxygen and contamination on spacecraft systems and components will also be presented.

  10. Low Earth Orbital Atomic Oxygen Interactions With Materials

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.; Miller, Sharon K.; deGroh, Kim K.

    2004-01-01

    Atomic oxygen is formed in the low Earth orbital environment (LEO) by photo dissociation of diatomic oxygen by short wavelength (< 243 nm) solar radiation which has sufficient energy to break the 5.12 eV O2 diatomic bond in an environment where the mean free path is sufficiently long ( 108 meters) that the probability of reassociation or the formation of ozone (O3) is small. As a consequence, between the altitudes of 180 and 650 km, atomic oxygen is the most abundant species. Spacecraft impact the atomic oxygen resident in LEO with sufficient energy to break hydrocarbon polymer bonds, causing oxidation and thinning of the polymers due to loss of volatile oxidation products. Mitigation techniques, such as the development of materials with improved durability to atomic oxygen attack, as well as atomic oxygen protective coatings, have been employed with varying degrees of success to improve durability of polymers in the LEO environment. Atomic oxygen can also oxidize silicones and silicone contamination to produce non-volatile silica deposits. Such contaminants are present on most LEO missions and can be a threat to performance of optical surfaces. The LEO atomic oxygen environment, its interactions with materials, results of space testing, computational modeling, mitigation techniques, and ground laboratory simulation procedures and issues are presented.

  11. Monte Carlo Computational Modeling of Atomic Oxygen Interactions

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.; Stueber, Thomas J.; Miller, Sharon K.; De Groh, Kim K.

    2017-01-01

    Computational modeling of the erosion of polymers caused by atomic oxygen in low Earth orbit (LEO) is useful for determining areas of concern for spacecraft environment durability. Successful modeling requires that the characteristics of the environment such as atomic oxygen energy distribution, flux, and angular distribution be properly represented in the model. Thus whether the atomic oxygen is arriving normal to or inclined to a surface and whether it arrives in a consistent direction or is sweeping across the surface such as in the case of polymeric solar array blankets is important to determine durability. When atomic oxygen impacts a polymer surface it can react removing a certain volume per incident atom (called the erosion yield), recombine, or be ejected as an active oxygen atom to potentially either react with other polymer atoms or exit into space. Scattered atoms can also have a lower energy as a result of partial or total thermal accommodation. Many solutions to polymer durability in LEO involve protective thin films of metal oxides such as SiO2 to prevent atomic oxygen erosion. Such protective films also have their own interaction characteristics. A Monte Carlo computational model has been developed which takes into account the various types of atomic oxygen arrival and how it reacts with a representative polymer (polyimide Kapton H) and how it reacts at defect sites in an oxide protective coating, such as SiO2 on that polymer. Although this model was initially intended to determine atomic oxygen erosion behavior at defect sites for the International Space Station solar arrays, it has been used to predict atomic oxygen erosion or oxidation behavior on many other spacecraft components including erosion of polymeric joints, durability of solar array blanket box covers, and scattering of atomic oxygen into telescopes and microwave cavities where oxidation of critical component surfaces can take place. The computational model is a two dimensional model

  12. A sputtering derived atomic oxygen source for studying fast atom reactions

    NASA Technical Reports Server (NTRS)

    Ferrieri, Richard A.; Yung, Y. Chu; Wolf, Alfred P.

    1987-01-01

    A technique for the generation of fast atomic oxygen was developed. These atoms are created by ion beam sputtering from metal oxide surfaces. Mass resolved ion beams at energies up to 60 KeV are produced for this purpose using a 150 cm isotope separator. Studies have shown that particles sputtered with 40 KeV Ar(+) on Ta2O5 were dominantly neutral and exclusively atomic. The atomic oxygen also resided exclusively in its 3P ground state. The translational energy distribution for these atoms peaked at ca 7 eV (the metal-oxygen bond energy). Additional measurements on V2O5 yielded a bimodal distribution with the lower energy peak at ca 5 eV coinciding reasonably well with the metal-oxygen bond energy. The 7 eV source was used to investigate fast oxygen atom reactions with the 2-butene stereoisomers. Relative excitation functions for H-abstraction and pi-bond reaction were measured with trans-2-butene. The abstraction channel, although of minor relative importance at thermal energy, becomes comparable to the addition channel at 0.9 eV and dominates the high-energy regime. Structural effects on the specific channels were also found to be important at high energy.

  13. The NASA atomic oxygen effects test program

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.; Rutledge, Sharon K.; Brady, Joyce A.

    1988-01-01

    The NASA Atomic Oxygen Effects Test Program was established to compare the low earth orbital simulation characteristics of existing atomic oxygen test facilities and utilize the collective data from a multitude of simulation facilities to promote understanding of mechanisms and erosion yield dependence upon energy, flux, metastables, charge, and environmental species. Four materials chosen for this evaluation include Kapton HN polyimide, FEP Teflon, polyethylene, and graphite single crystals. The conditions and results of atomic oxygen exposure of these materials is reported by the participating organizations and then assembled to identify degrees of dependency of erosion yields that may not be observable from any single atomic oxygen low earth orbital simulation facility. To date, the program includes 30 test facilities. Characteristics of the participating test facilities and results to date are reported.

  14. Atomic oxygen exposure of LDEF experiment trays

    NASA Technical Reports Server (NTRS)

    Bourassa, R. J.; Gillis, J. R.

    1992-01-01

    Atomic oxygen exposures were determined analytically for rows, longerons, and end bays of the Long Duration Exposure Facility (LDEF). The calculations are based on an analytical model that accounts for the effects of thermal molecular velocity, atmospheric temperature, number density, spacecraft velocity, incidence angle, and atmospheric rotation on atomic oxygen flux. Results incorporate variations in solar activity, geomagnetic index, and orbital parameters occurring over the 6-year flight of the spacecraft. To facilitate use of the data, both detailed tabulations and summary charts for atomic oxygen fluences are presented.

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

    PubMed

    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).

  16. Overview on recent upper atmosphere atomic oxygen measurements

    NASA Astrophysics Data System (ADS)

    Zhu, Yajun; Kaufmann, Martin; Chen, Qiuyu; Martin, Riese

    2017-04-01

    In recent years, new global datasets of atomic oxygen in the upper mesosphere and lower thermosphere have been presented. They are based on airglow measurements from low earth satellites. Surprisingly, the atomic oxygen abundance differs by 30-50% for similar atmospheric conditions. This paper gives an overview on the various atomic oxygen datasets available so far and presents most recent results obtained from measurements on Envisat. Differences between the datasets are discussed.

  17. Atomic oxygen reactor having at least one sidearm conduit

    NASA Technical Reports Server (NTRS)

    Koontz, Steven L. (Inventor)

    1994-01-01

    An apparatus for treating a microporous structure with atomic oxygen is presented. The apparatus includes a main gas chamber for flowing gas in an axial direction and a source of gas, containing atomic oxygen, connected for introducing the gas into the main gas chamber. The apparatus employs at least one side arm extending from the main atomic oxygen-containing chamber. The side arm has characteristic relaxation times such that a uniform atomic oxygen dose rate is delivered to a specimen positioned transversely in the side arm spaced from the main gas chamber.

  18. Oxygen sensor via the quenching of room-temperature phosphorescence of perdeuterated phenanthrene adsorbed on Whatman 1PS filter paper.

    PubMed

    Ramasamy, S M; Hurtubise, R J

    1998-11-01

    Perdeuterated phenanthrene (d-phen) exhibits strong room-temperature phosphorescence (RTP) when adsorbed on Whatman 1PS filter paper. An oxygen sensor was developed that depends on oxygen quenching of RTP intensity of adsorbed d-phen. The system designed employed a continuous flow of nitrogen or nitrogen-air onto the adsorbed phosphor. The sensor is simple to prepare and needs no elaborate fabrication procedure, but did show a somewhat drifting baseline for successive determinations of oxygen. Nevertheless, very good reproducibility was achieved with the RTP quenching data by measuring the RTP intensities just before and at the end of each oxygen determination. The calibration plots gave a nonlinear relationship over the entire range of oxygen (0-21%). However, a linear range was obtained up to 1.10% oxygen. A detection limit of 0.09% oxygen in dry nitrogen was acquired. Also, carbon dioxide was found to have a minimal effect on the RTP quenching. Thus, oxygen could be measured accurately in relatively large amounts of carbon dioxide. The performance of the oxygen sensor was evaluated by comparing data obtained with a commercial electrochemical trace oxygen analyzer. Also, additional information on the quenching phenomena for this system was obtained from the RTP lifetime data acquired at various oxygen contents.

  19. Desorption of oxygen from alloyed Ag/Pt(111)

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Jankowski, Maciej; Wormeester, Herbert, E-mail: h.wormeester@utwente.nl; Zandvliet, Harold J. W.

    2014-06-21

    We have investigated the interaction of oxygen with the Ag/Pt(111) surface alloy by thermal desorption spectroscopy (TDS). The surface alloy was formed during the deposition of sub-monolayer amounts of silver on Pt(111) at 800 K and subsequent cooling to 300 K. The low-temperature phase of the surface alloy is composed of nanometer-sized silver rich stripes, embedded within platinum-rich domains, which were characterized with spot profile analysis low energy electron diffraction. The TDS measurements show that oxygen adsorption is blocked on Ag sites: the saturation coverage of oxygen decreases with increasing Ag coverage. Also, the activation energy for desorption (E{sub des})more » decreases with Ag coverage. The analysis of the desorption spectra from clean Pt(111) shows a linear decay of E{sub des} with oxygen coverage, which indicates repulsive interactions between the adsorbed oxygen atoms. In contrast, adsorption on alloyed Ag/Pt(111) leads to an attractive interaction between adsorbed oxygen atoms.« less

  20. Reaction and Protection of Electrical Wire Insulators in Atomic-oxygen Environments

    NASA Technical Reports Server (NTRS)

    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.

  1. Atomic Oxygen Cleaning of Unpainted Plaster Sculptures

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.; Miller, Sharon K.

    2017-01-01

    Atomic oxygen erosion of polymers has been found to be a threat to spacecraft in low Earth orbit. As a result ground facilities have been developed to identify coatings to protect polymers such as used for solar array blankets. As a result of extensive laboratory testing, it was discovered that soot and other organic contamination on paintings could be readily removed by atomic oxygen interactions with minimal damage to the artwork. No method, other than dusting, has been found to be effective in the cleaning of unpainted plaster sculptures This presentation discusses the atomic oxygen interaction processes and how effective they are for cleaning soot damaged unpainted plaster sculptures.

  2. Photoionization research on atomic beams. 2: The photoionization cross section of atomic oxygen

    NASA Technical Reports Server (NTRS)

    Comes, F. J.; Speier, F.; Elzer, A.

    1982-01-01

    An experiment to determine the absolute value of the photo-ionization cross section of atomic oxygen is described. The atoms are produced in an electrical discharge in oxygen gas with 1% hydrogen added. In order to prevent recombination a crossed beam technique is employed. The ions formed are detected by a time-of-flight mass spectrometer. The concentration of oxygen atoms in the beam is 57%. The measured photoionization cross section of atomic oxygen is compared with theoretical data. The results show the participation of autoionization processes in ionization. The cross section at the autoionizing levels detected is considerably higher than the absorption due to the unperturbed continuum. Except for wavelengths where autoionization occurs, the measured ionization cross section is in fair agreement with theory. This holds up to 550 A whereas for shorter wavelengths the theoretical values are much higher.

  3. Use of Atomic Oxygen for the Determination of Document Alteration

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.; Klubnik, Larisa M.

    2003-01-01

    Atomic oxygen, which normally is found only the near Earth space environment, causes oxidation and erosion of polymers on spacecraft. The development of technology to prevent this degradation has required NASA to develop ground laboratory facilities that generate atomic oxygen. Atomic oxygen has also been found to be able to oxidize most types of ink from a variety of types of pens. The use of atomic oxygen to identify alteration of documents has been investigated and is reported. Results of testing indicates that for many types of ink, pen, and paper, identification of document alteration of pen and ink numbers and evidence of alteration can be made visible by exposing the questionable writing to atomic oxygen. Atomic oxygen provides discrimination because different inks may oxidize at different rates, the amount of time between delayed alteration may add to ink thickness at crossings, and the end of pen strokes tend to have much thicker ink deposits than the rest of the character. Examples and techniques of using atomic oxygen to identify document alteration indicate that the technology can, in many but not all cases, provide discrimination between original and altered documents.

  4. Intelsat solar array coupon atomic oxygen flight experiment

    NASA Technical Reports Server (NTRS)

    Koontz, S.; King, G.; Dunnet, A.; Kirkendahl, T.; Linton, R.; Vaughn, J.

    1994-01-01

    A Hughes communications satellite (INTELSAT series) belonging to the INTELSAT Organization was marooned in low-Earth orbit (LEO) on March 14, 1990, following failure of the Titan launch vehicle third stage to separate properly. The satellite, INTELSAT 6, was designed for service in geosynchronous orbit and contains several materials that are potentially susceptible to attack by atomic oxygen. Analysis showed that direct exposure of the silver interconnects in the satellite photovoltaic array to atomic oxygen in LEO was the key materials issue. Available data on atomic oxygen degradation of silver are limited and show high variance, so solar array configurations of the INTELSAT 6 type and individual interconnects were tested in ground-based facilities and during STS-41 (Space Shuttle Discovery, October 1990) as part of the ISAC flight experiment. Several materials for which little or no flight data exist were also tested for atomic oxygen reactivity. Dry lubricants, elastomers, and polymeric and inorganic materials were exposed to an oxygen atom fluence of 1.1 x 10(exp 20) atoms cm(exp 2). Many of the samples were selected to support Space Station Freedom design and decision making. This paper provides an overview of the ISAC flight experiment and a brief summary of results. In addition to new data on materials not before flown, ISAC provided data supporting the decision to rescue INTELSAT 6, which was successfully undertaken in May 1992.

  5. Kinetics and mechanisms of some atomic oxygen reactions

    NASA Technical Reports Server (NTRS)

    Cvetanovic, R. J.

    1987-01-01

    Mechanisms and kinetics of some reactions of the ground state of oxygen atoms, O(3P), are briefly summarized. Attention is given to reactions of oxygen atoms with several different types of organic and inorganic compounds such as alkanes, alkenes, alkynes, aromatics, and some oxygen, nitrogen, halogen and sulfur derivatives of these compounds. References to some recent compilations and critical evaluations of reaction rate constants are given.

  6. Low Earth Orbital Atomic Oxygen Interactions With Spacecraft Materials

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.; deGroh, Kim K.; Miller, Sharon K.

    2004-01-01

    Atomic oxygen, formed in Earth s thermosphere, interacts readily with many materials on spacecraft flying in low Earth orbit (LEO). All hydrocarbon based polymers and graphite are easily oxidized upon the impact of approx.4.5 eV atomic oxygen as the spacecraft ram into the residual atmosphere. The resulting interactions can change the morphology and reduce the thickness of these materials. Directed atomic oxygen erosion will result in the development of textured surfaces on all materials with volatile oxidation products. Examples from space flight samples are provided. As a result of the erosive properties of atomic oxygen on polymers and composites, protective coatings have been developed and are used to increase the functional life of polymer films and composites that are exposed to the LEO environment. The atomic oxygen erosion yields for actual and predicted LEO exposure of numerous materials are presented. Results of in-space exposure of vacuum deposited aluminum protective coatings on polyimide Kapton indicate high rates of degradation are associated with aluminum coatings on both surfaces of the Kapton. Computational modeling predictions indicate that less trapping of the atomic oxygen occurs, with less resulting damage, if only the space-exposed surface is coated with vapor deposited aluminum rather than having both surfaces coated.

  7. Direct visualization of quasi-ordered oxygen chain structures on Au(110)-(1 × 2)

    NASA Astrophysics Data System (ADS)

    Hiebel, F.; Montemore, M. M.; Kaxiras, E.; Friend, C. M.

    2016-08-01

    The Au(110) surface offers unique advantages for atomically-resolved model studies of catalytic oxidation processes on gold. We investigate the adsorption of oxygen on Au(110) using a combination of scanning tunneling microscopy (STM) and density functional theory (DFT) methods. We identify the typical (empty-states) STM contrast resulting from adsorbed oxygen as atomic-sized dark features of electronic origin. DFT-based image simulations confirm that chemisorbed oxygen is generally detected indirectly, from the binding-induced electronic structure modification of gold. STM images show that adsorption occurs without affecting the general structure of the pristine Au(110) missing-row reconstruction. The tendency to form one-dimensional structures is observed already at low coverage (< 0.05 ML), with oxygen adsorbing on alternate sides of the reconstruction ridges. Consistently, calculations yield preferred adsorption on the (111) facets of the reconstruction, on a 3-fold coordination site, with increased stability when adsorbed in chains. Gold atoms with two oxygen neighbors exhibit enhanced electronic hybridization with the O states. Finally, the species observed are reactive to CO oxidation at 200 K and desorption of CO2 leaves a clean and ordered gold surface.

  8. Atomic Oxygen Durability of Second Surface Silver Microsheet Glass Concentrators

    NASA Technical Reports Server (NTRS)

    deGroh, Kim K.; Jaworske, Donald A.; Smith, Daniela C.; Mroz, Thaddeus S.

    1996-01-01

    Second surface silver microsheet glass concentrators are being developed for potential use in future solar dynamic space power systems. Traditional concentrators are aluminum honeycomb sandwich composites with either aluminum or graphite epoxy face sheets, where a reflective aluminum layer is deposited onto an organic leveling layer on the face sheet. To protect the underlying layers, a SiO2 layer is applied on top of the aluminum reflective layer. These concentrators may be vulnerable to atomic oxygen degradation due to possible atomic oxygen attack of the organic layers at defect sites in the protective and reflective coatings. A second surface microsheet glass concentrator would be inherently more atomic oxygen durable than these first surface concentrators. In addition, a second surface microsheet glass concentrator design provides a smooth optical surface and allows for silver to be used as a reflective layer, which would improve the reflectivity of the concentrator and the performance of the system. A potential threat to the performance of second surface microsheet glass concentrators is atomic oxygen attack of the underlying silver at seams and edges or at micrometeoroid and debris (MMD) impacts sites. Second surface silver microsheet glass concentrator samples were fabricated and tested for atomic oxygen durability. The samples were iteratively exposed to an atomic oxygen environment in a plasma asher. Samples were evaluated for potential degradation at fabrication seams, simulated MMD impact sites, and edges. Optical microscopy was used to evaluate atomic oxygen degradation. Reflectance was obtained for an impacted sample prior to and after atomic oxygen exposure. After an initial atomic oxygen exposure to an effective fluence of approx. 1 x 10(exp 21) atoms/cm(exp 2), oxidation of the silver at defect sites and edges was observed. Exposure to an additional approx. 1 x 10(exp 21) atoms/cm(exp 2) caused no observed increase in oxidation. Oxidation at an

  9. The reaction efficiency of thermal energy oxygen atoms with polymeric materials

    NASA Technical Reports Server (NTRS)

    Koontz, S. L.; Nordine, Paul

    1990-01-01

    The reaction efficiency of several polymeric materials with thermal-energy (0.04 eV translational energy), ground-state (O3P) oxygen atoms was determined by exposing the materials to a room temperature gas containing a known concentration of atomic oxygen. The reaction efficiency measurements were conducted in two flowing afterglow systems of different configuration. Atomic oxygen concentration measurements, flow, transport and surface dose analysis is presented in this paper. The measured reaction efficiencies of Kapton, Mylar, polyethylene, D4-polyethylene and Tedlar are .001 to .0001 those determined with high-energy ground-state oxygen atoms in low earth orbit or in a high-velocity atom beam. D4-polyethylene exhibits a large kinetic isotope effect with atomic oxygen at thermal but not hyperthermal atom energies.

  10. Techniques for Measuring Low Earth Orbital Atomic Oxygen Erosion of Polymers

    NASA Technical Reports Server (NTRS)

    deGroh, Kim K.; Banks, Bruce A.; Demko, Rikako

    2002-01-01

    Polymers such as polyimide Kapton and Teflon FEP (fluorinated ethylene propylene) are commonly used spacecraft materials due to their desirable properties such as flexibility, low density, and in the case of FEP, a low solar absorptance and high thermal emittance. Polymers on the exterior of spacecraft in the low Earth orbit (LEO) environment are exposed to energetic atomic oxygen. Atomic oxygen reaction with polymers causes erosion, which is a threat to spacecraft durability. It is therefore important to understand the atomic oxygen erosion yield (E, the volume loss per incident oxygen atom) of polymers being considered in spacecraft design. The most common technique for determining E is through mass loss measurements. For limited duration exposure experiments, such as shuttle experiments, where the atomic oxygen fluence is often so low that mass loss measurements can not produce acceptable uncertainties, recession measurements based on atomic force microscopy analyses can be used. Equally necessary to knowing the mass loss or recession depth for determining the erosion yield of polymers is the knowledge of the atomic oxygen fluence that the polymers were exposed to in space. This paper discusses the procedures and relevant issues for mass loss and recession depth measurements for passive atomic oxygen erosion yield characterization of polymers, along with techniques for active atomic oxygen fluence and erosion characterization. One active atomic oxygen erosion technique discussed is a new technique based on optical measurements. Details including the use of both semi-transparent and opaque polymers for active erosion measurement are reviewed.

  11. Reactions of gas phase H atoms with ethylene, acetylene and ethane adsorbed on Ni( 1 1 1 )

    NASA Astrophysics Data System (ADS)

    Bürgi, T.; Trautman, T. R.; Gostein, M.; Lahr, D. L.; Haug, K. L.; Ceyer, S. T.

    2002-03-01

    The products of the reaction of the most energetic form of hydrogen, gas phase H atoms, with ethylene, acetylene and ethane adsorbed on a Ni(1 1 1) surface at 60 K are probed. Adsorbed ethylidyne (CCH 3) is identified by high resolution electron energy loss spectroscopy to be the major product (30% yield) in all three cases. Adsorbed acetylene is a minor product (3% yield) and arises as a consequence of a dynamic equilibrium between CCH 3 and C 2H 2 in the presence of gas phase H atoms. The observation of the same product for the reaction of H atoms with all three hydrocarbons implies that CCH 3 is the most stable C 2 species in the presence of coadsorbed hydrogen. The rates of CCH 3 production are measured as a function of the time of exposure of H atoms to each hydrocarbon. A simple kinetic model treating each reaction as a pseudo-first order reaction in the hydrocarbon coverage is fit to these data. A mechanism for the formation of CCH 3 via a CHCH 2 intermediate common to all three reactants is proposed to describe this model. The observed instability of the CH 2CH 3 species relative to C 2H 4 plays a role in the formulation of this mechanism as does the observed stability of CHCH 2 species in the presence of coadsorbed hydrogen. The CH 2CH 3 and the CHCH 2 species are produced by the translational activation of ethane and the dissociative ionization of ethane and ethylene, respectively. In addition, the binding energy and the vibrational spectrum of ethane adsorbed on Ni(1 1 1) are determined and exceptionally high resolution vibrational spectra of adsorbed ethylene and acetylene are presented.

  12. Novel oxygen atom source for material degradation studies

    NASA Technical Reports Server (NTRS)

    Krech, R. H.; Caledonia, G. E.

    1988-01-01

    Physical Sciences Inc. (PSI) has developed a high flux pulsed source of energetic (8 km/s) atomic oxygen to bombard specimens in experiments on the aging and degradation of materials in a low earth orbit environment. The proof-of-concept of the PSI approach was demonstrated in a Phase 1 effort. In Phase 2 a large O-atom testing device (FAST-2) has been developed and characterized. Quantitative erosion testing of materials, components, and even small assemblies (such as solar cell arrays) can be performed with this source to determine which materials and/or components are most vulnerable to atomic oxygen degradation. The source is conservatively rated to irradiate a 100 sq cm area sample at greater than 10(exp 17) atoms/s, at a 10 Hz pulse rate. Samples can be exposed to an atomic oxygen fluence equivalent to the on-orbit ram direction exposure levels incident on Shuttle surfaces at 250 km during a week-long mission in a few hours.

  13. Recovery of a Charred Painting Using Atomic Oxygen Treatment

    NASA Technical Reports Server (NTRS)

    Rutledge, Sharon K.; Banks, Bruce A.; Chichernea, Virgil A.

    1999-01-01

    A noncontact method is described which uses atomic oxygen to remove soot and char from the surface of a painting. The atomic oxygen was generated by the dissociation of oxygen in low pressure air using radio frequency energy. The treatment, which is an oxidation process, allows control of the amount of material to be removed. The effectiveness of char removal from half of a fire-damaged oil painting was studied using reflected light measurements from selected areas of the painting and by visual and photographic observation. The atomic oxygen was able to effectively remove char and soot from the treated half of the painting. The remaining loosely bound pigment was lightly sprayed with a mist to replace the binder and then varnish was reapplied. Caution should he used when treating an untested paint medium using atomic oxygen. A representative edge or corner should he tested first in order to determine if the process would be safe for the pigments present. As more testing occurs, a greater knowledge base will be developed as to what types of paints and varnishes can or cannot be treated using this technique. With the proper precautions, atomic oxygen treatment does appear to be a technique with great potential for allowing very charred, previously unrestorable art to be salvaged.

  14. Valley filters, accumulators, and switches induced in graphene quantum dots by lines of adsorbed hydrogen atoms

    NASA Astrophysics Data System (ADS)

    Azari, Mohammadhadi; Kirczenow, George

    2018-06-01

    We present electronic structure and quantum transport calculations that predict conducting channels induced in graphene quantum dots by lines of adsorbed hydrogen atoms to function as highly efficient, experimentally realizable valley filters, accumulators, and switches. The underlying physics is an interesting property of graphene Dirac point resonances (DPRs) that is revealed here, namely, that an electric current passing through a DPR-mediated conducting channel in a given direction is carried by electrons of only one of the two graphene valleys. Our predictions apply to lines of hydrogen atoms adsorbed on graphene quantum dots that are either free standing or supported on a hexagonal boron nitride substrate.

  15. Method and apparatus for producing a thermal atomic oxygen beam

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A. (Inventor); Rutledge, Sharon K. (Inventor)

    1994-01-01

    Atomic oxygen atoms are routed to a material through a sufficiently tortuous path so that vacuum ultraviolet radiation is obstructed from arriving at the surface of the material. However, the material surface continues to be exposed to the atomic oxygen.

  16. Oxygen atom reaction with shuttle materials at orbital altitudes

    NASA Technical Reports Server (NTRS)

    Leger, L. J.

    1982-01-01

    Surfaces of materials used in the space shuttle orbiter payload bay and exposed during STS-1 through STS-3 were examined after flight. Paints and polymers, in particular Kapton used on the television camera thermal blanket, showed significant change. Generally, the change was a loss of surface gloss on the polymer with apparent aging on the paint surfaces. The Kapton surfaces showed the greatest change, and postflight analyses showed mass loss of 4.8 percent on STS-2 and 35 percent on STS-3 for most heavily affected surfaces. Strong shadow patterns were evident. The greatest mass loss was measured on surfaces which were exposed to solar radiation in conjunction with exposure in the vehicle velocity vector. A mechanism which involves the interaction of atomic oxygen with organic polymer surfaces is proposed. Atomic oxygen is the major ambient species at low orbital altitudes and presents a flux of 8 x 10 to the 14th power atoms/cu cm sec for reaction. Correlation of the expected mass loss based on ground-based oxygen atom/polymer reaction rates shows lower mass loss of the Kapton than measured. Consideration of solar heating effects on reaction rates as well as the high oxygen atom energy due to the orbiter's orbital velocity brings the predicted and measured mass loss in surprisingly good agreement. Flight sample surface morphology comparison with ground based Kapton/oxygen atom exposures provides additional support for the oxygen interaction mechanism.

  17. Comments on the interaction of materials with atomic oxygen

    NASA Technical Reports Server (NTRS)

    Torre, Larry P.; Pippin, H. Gary

    1987-01-01

    An explanation of the relative resistance of various materials to attack by atomic oxygen is presented. Data from both ground based and on-orbit experiments is interpreted. The results indicate the importance of bond strengths, size and structure of pendant groups, and fluorination to the resistance of certain polymers to atomic oxygen. A theory which provides a partial explanation of the degradation of materials in low Earth orbit due to surface recombination of oxygen atoms is also included. Finally, a section commenting on mechanisms of material degradation is provided.

  18. Atomic oxygen damage characterization by photothermal scanning

    NASA Technical Reports Server (NTRS)

    Williams, A. W.; Wood, N. J.; Zakaria, A. B.

    1993-01-01

    In this paper we use a photothermal imaging technique to characterize the damage caused to an imperfectly coated gold-coated Kapton sample exposed to successively increased fluences of atomic oxygen in a laboratory atomic source.

  19. Continuum ionization transition probabilities of atomic oxygen

    NASA Technical Reports Server (NTRS)

    Samson, J. A. R.; Petrosky, V. E.

    1974-01-01

    The technique of photoelectron spectroscopy was employed in the investigation. Atomic oxygen was produced in a microwave discharge operating at a power of 40 W and at a pressure of approximately 20 mtorr. The photoelectron spectrum of the oxygen with and without the discharge is shown. The atomic states can be clearly seen. In connection with the measurement of the probability for transitions into the various ionic states, the analyzer collection efficiency was determined as a function of electron energy.

  20. Study of the reaction of atomic oxygen with aerosols

    NASA Technical Reports Server (NTRS)

    Akers, F. I.; Wightman, J. P.

    1975-01-01

    The rate of disappearance of atomic oxygen was measured at several pressures in a fast flow pyrex reactor system with its walls treated with (NH4)2SO4 (s), H2SO4 (l), and NH4CL (s). Atomic oxygen, P-3 was generated by dissociation of pure, low pressure oxygen in a microwave discharge. Concentrations of atomic oxygen were measured at several stations in the reactor system using chemiluminescent titration with NO2. Recombination efficiencies calculated from experimentally determined wall recombination rate constants are in good agreement with reported values for clean Pyrex and an H2SO4 coated wall. The recombination efficiency for (NH4)2SO4, results in a slightly lower value than for H2S04. A rapid exothermic reaction between atomic oxygen and the NH4Cl wall coating prevented recombination efficiency determination for this coating. The results show that the technique is highly useful for wall recombination measurements and as a means of extrapolating to the case of free stream aerosol-gas interactions.

  1. Production of pulsed atomic oxygen beams via laser vaporization methods

    NASA Technical Reports Server (NTRS)

    Brinza, David E.; Coulter, Daniel R.; Liang, Ranty H.; Gupta, Amitava

    1987-01-01

    Energetic pulsed atomic oxygen beams were generated by laser-driven evaporation of cryogenically frozen ozone/oxygen films and thin films of indium-tin oxide (ITO). Mass and energy characterization of beams from the ozone/oxygen films were carried out by mass spectrometry. The peak flux, found to occur at 10 eV, is estimated from this data to be 3 x 10(20) m(-2) s(-1). Analysis of the time-of-flight data indicates a number of processes contribute to the formation of the atomic oxygen beam. The absence of metastable states such as the 2p(3) 3s(1) (5S) level of atomic oxygen blown off from ITO films is supported by the failure to observe emission at 777.3 nm from the 2p(3) 3p(1) (5P sub J) levels. Reactive scattering experiments with polymer film targets for atomic oxygen bombardment are planned using a universal crossed molecular beam apparatus.

  2. Materials screening chamber for testing materials resistance to atomic oxygen

    NASA Technical Reports Server (NTRS)

    Pippin, H. G.; Carruth, Ralph

    1989-01-01

    A unique test chamber for exposing material to a known flux of oxygen atoms is described. The capabilities and operating parameters of the apparatus include production of an oxygen atom flux in excess of 5 x 10 to the 16th atoms/sq cm-sec, controlled heating of the sample specimen, RF circuitry to contain the plasma within a small volume, and long exposure times. Flux measurement capabilities include a calorimetric probe and a light titration system. Accuracy and limitations of these techniques are discussed. An extension to the main chamber to allow simultaneous ultraviolet and atomic oxygen exposure is discussed. The oxygen atoms produced are at thermal energies. Sample specimens are maintained at any selected temperature between ambient and 200 C, to within + or - 2 C. A representative example of measurements made using the chamber is presented.

  3. Texturing Carbon-carbon Composite Radiator Surfaces Utilizing Atomic Oxygen

    NASA Technical Reports Server (NTRS)

    Raack, Taylor

    2004-01-01

    Future space nuclear power systems will require radiator technology to dissipate excess heat created by a nuclear reactor. Large radiator fins with circulating coolant are in development for this purpose and an investigation of how to make them most efficient is underway. Maximizing the surface area while minimizing the mass of such radiator fins is critical for obtaining the highest efficiency in dissipating heat. Processes to develop surface roughness are under investigation to maximize the effective surface area of a radiator fin. Surface roughness is created through several methods including oxidation and texturing. The effects of atomic oxygen impingement on carbon-carbon surfaces are currently being investigated for texturing a radiator surface. Early studies of atomic oxygen impingement in low Earth orbit indicate significant texturing due to ram atomic oxygen. The surface morphology of the affected surfaces shows many microscopic cones and valleys which have been experimentally shown to increase radiation emittance. Further study of this morphology proceeded in the Long Duration Exposure Facility (LDEF). Atomic oxygen experiments on the LDEF successfully duplicated the results obtained from materials in spaceflight by subjecting samples to 4.5 eV atomic oxygen from a fixed ram angle. These experiments replicated the conical valley morphology that was seen on samples subjected to low Earth orbit.

  4. Atomic Oxygen (AO) and Nitrogen (AN) In-situ Flux Sensor

    DTIC Science & Technology

    2016-03-10

    AFRL-AFOSR-VA-TR-2016-0126 DURIP 09) AN ATOMIC OXYGEN FLUX MONITOR FOR USE IN THE SEARCH FOR NEW AND BETT Malcolm Beasley LELAND STANFORD JUNIOR UNIV...Grant # FA9550-01-1-0433 M. R. Beasley, PI Stanford University Project Title: Atomic Oxygen (AO) and Nitrogen (AN) In-situ Flux Sensor...of actively controlled in-situ sources of atomic oxygen and nitrogen suitable for MBE application. The goal of this DURIP was to work with a

  5. In situ study of the electronic structure of atomic layer deposited oxide ultrathin films upon oxygen adsorption using ambient pressure XPS

    DOE PAGES

    Mao, Bao-Hua; Crumlin, Ethan; Tyo, Eric C.; ...

    2016-07-21

    In this work, ambient pressure X-ray photoelectron spectroscopy (APXPS) was used to investigate the effect of oxygen adsorption on the band bending and electron affinity of Al 2O 3, ZnO and TiO 2 ultrathin films (~1 nm in thickness) deposited on a Si substrate by atomic layer deposition (ALD). Upon exposure to oxygen at room temperature (RT), upward band bending was observed on all three samples, and a decrease in electron affinity was observed on Al 2O 3 and ZnO ultrathin films at RT. At 80°C, the magnitude of the upward band bending decreased, and the change in the electronmore » affinity vanished. These results indicate the existence of two surface oxygen species: a negatively charged species that is strongly adsorbed and responsible for the observed upward band bending, and a weakly adsorbed species that is polarized, lowering the electron affinity. Based on the extent of upward band bending on the three samples, the surface coverage of the strongly adsorbed species exhibits the following order: Al 2O 3 > ZnO > TiO 2. This finding is in stark contrast to the trend expected on the surface of these bulk oxides, and highlights the unique surface activity of ultrathin oxide films with important implications, for example, in oxidation reactions taking place on these films or in catalyst systems where such oxides are used as a support material.« less

  6. Sensitive Technique Developed Using Atomic Force Microscopy to Measure the Low-Earth-Orbit Atomic Oxygen Erosion of Polymers

    NASA Technical Reports Server (NTRS)

    deGroh, Kim D.; Banks, Bruce A.; Clark, Gregory W.; Hammerstrom, Anne; Youngstrom, Erica; Kaminski, Carolyn; Fine, Elizabeth; Marx, Laura

    2001-01-01

    A recession measurement technique has been developed at the NASA Glenn Research Center to determine the atomic oxygen durability of polymers exposed to the space environment for short durations. Polymers such as polyimide Kapton and Teflon FEP (fluorinated ethylene propylene, DuPont) are commonly used in spacecraft because of their desirable properties, such as flexibility, low density, and in the case of FEP, low solar absorptance and high thermal emittance. Polymers on the exterior of spacecraft in the low- Earth-orbit environment are exposed to energetic atomic oxygen, resulting in erosion and potential structural loss. It is, therefore, important to understand the atomic oxygen erosion yield (E, the volume loss per incident oxygen atom) of polymers being considered in spacecraft design. Because long-term space exposure data are rare and very costly, short-term exposures, such as on the space shuttles, are often relied on for atomic oxygen erosion determination. The most common technique for determining E is through mass-loss measurements. For limited-duration exposure experiments, such as shuttle flight experiments, the atomic oxygen fluence is often so small that mass-loss measurements are not sensitive enough. Therefore, a recession measurement technique has been developed at Glenn to obtain accurate erosion yields of polymers exposed to low atomic oxygen fluences.

  7. STS-8 atomic oxygen effects experiment

    NASA Technical Reports Server (NTRS)

    Visentine, J. T.; Leger, L. J.; Kuminecz, J. F.; Spiker, I. K.

    1985-01-01

    A flight experiment was performed on the eighth Space Shuttle mission to measure reaction of surfaces with atomic oxygen in the low earth orbital environment. More than 300 individual samples were exposed to ram (normal to surface) conditions for 41.75 hr leading to a total atomic oxygen fluence of 3.5 x 10 to the 20th atoms/sq cm. Reaction rates for surface recession measured primarily by mass change of several organic films were in the range of 3.0 x 10 to the -24th cu cm/atom, and less than 5 x 10 to the -26th cu cm/atom for Teflon. Effects of parameters such as temperature and solar radiation were assessed, as was the importance of atmospheric ionic species on surface recession. In an experiment performed on the fifth Space Shuttle flight, no temperature dependence of reaction rate for the organic films studied was found in the temperature range of 25 to 125 C. Preliminary findings indicate that the reactivity of organic films is not affected by temperature (in the range of 65 to 125 C), solar radiation, or ionic species. Significant surface morphology changes led to a carpet-like appearance also consistent with previous findings.

  8. Copper-Exchanged Zeolite L Traps Oxygen

    NASA Technical Reports Server (NTRS)

    Sharma, Pramod K.; Seshan, Panchalam K.

    1991-01-01

    Brief series of simple chemical treatments found to enhance ability of zeolite to remove oxygen from mixture of gases. Thermally stable up to 700 degrees C and has high specific surface area which provides high capacity for adsorption of gases. To increase ability to adsorb oxygen selectively, copper added by ion exchange, and copper-exchanged zeolite reduced with hydrogen. As result, copper dispersed atomically on inner surfaces of zeolite, making it highly reactive to oxygen, even at room temperature. Reactivity to oxygen even greater at higher temperatures.

  9. Materials International Space Station Experiment-6 (MISSE-6) Atomic Oxygen Fluence Monitor Experiment

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.; Miller, Sharon K.; Waters, Deborah L.

    2010-01-01

    An atomic oxygen fluence monitor was flown as part of the Materials International Space Station Experiment-6 (MISSE-6). The monitor was designed to measure the accumulation of atomic oxygen fluence with time as it impinged upon the ram surface of the MISSE 6B Passive Experiment Container (PEC). This was an active experiment for which data was to be stored on a battery-powered data logger for post-flight retrieval and analysis. The atomic oxygen fluence measurement was accomplished by allowing atomic oxygen to erode two opposing wedges of pyrolytic graphite that partially covered a photodiode. As the wedges of pyrolytic graphite erode, the area of the photodiode that is illuminated by the Sun increases. The short circuit current, which is proportional to the area of illumination, was to be measured and recorded as a function of time. The short circuit current from a different photodiode, which was oriented in the same direction and had an unobstructed view of the Sun, was also to be recorded as a reference current. The ratio of the two separate recorded currents should bear a linear relationship with the accumulated atomic oxygen fluence and be independent of the intensity of solar illumination. Ground hyperthermal atomic oxygen exposure facilities were used to evaluate the linearity of the ratio of short circuit current to the atomic oxygen fluence. In flight, the current measurement circuitry failed to operate properly, thus the overall atomic oxygen mission fluence could only be estimated based on the physical erosion of the pyrolytic graphite wedges. The atomic oxygen fluence was calculated based on the knowledge of the space atomic oxygen erosion yield of pyrolytic graphite measured from samples on the MISSE 2. The atomic oxygen fluence monitor, the expected result and comparison of mission atomic oxygen fluence based on the erosion of the pyrolytic graphite and Kapton H atomic oxygen fluence witness samples are presented in this paper.

  10. Atomic Oxygen Erosion Yield Dependence Upon Texture Development in Polymers

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.; Loftus, Ryan J.; Miller, Sharon K.

    2016-01-01

    The atomic oxygen erosion yield (volume of a polymer that is lost due to oxidation per incident atom) of polymers is typically assumed to be reasonably constant with increasing fluence. However polymers containing ash or inorganic pigments, tend to have erosion yields that decrease with fluence due to an increasing presence of protective particles on the polymer surface. This paper investigates two additional possible causes for erosion yields of polymers that are dependent upon atomic oxygen. These are the development of surface texture which can cause the erosion yield to change with fluence due to changes in the aspect ratio of the surface texture that develops and polymer specific atomic oxygen interaction parameters. The surface texture development under directed hyperthermal attack produces higher aspect ratio surface texture than isotropic thermal energy atomic oxygen attack. The fluence dependence of erosion yields is documented for low Kapton H (DuPont, Wilmington, DE) effective fluences for a variety of polymers under directed hyperthermal and isotropic thermal energy attack.

  11. Vacuum Ultraviolet Absorption Measurements of Atomic Oxygen in a Shock Tube

    NASA Technical Reports Server (NTRS)

    Meyer, Scott Andrew

    1995-01-01

    The absorption of vacuum ultraviolet light by atomic oxygen has been measured in the Electric Arc-driven Shock Tube (EAST) Facility at NASA-Ames Research Center. This investigation demonstrates the instrumentation required to determine atomic oxygen concentrations from absorption measurements in impulse facilities. A shock wave dissociates molecular oxygen, producing a high temperature sample of atomic oxygen in the shock tube. A probe beam is generated with a Raman-shifted ArF excimer laser. By suitable tuning of the laser, absorption is measured over a range of wavelengths in the region of the atomic line at 130.49 nm. The line shape function is determined from measurements at atomic oxygen densities of 3 x 10(exp 17) and 9 x 10(exp 17)/cu cm. The broadening coefficient for resonance interactions is deduced from this data, and this value is in accord with available theoretical models.

  12. Vacuum Ultraviolet Absorption Measurements of Atomic Oxygen in a Shock Tube

    NASA Technical Reports Server (NTRS)

    Meyer, Scott Andrew

    1995-01-01

    The absorption of vacuum ultraviolet light by atomic oxygen has been measured in the Electric Arc-driven Shock Tube (EAST) Facility at NASA-Ames Research Center. This investigation demonstrates the instrumentation required to determine atomic oxygen concentrations from absorption measurements in impulse facilities. A shock wave dissociates molecular oxygen, producing a high temperature sample of atomic oxygen in the shock tube. A probe beam is generated with a Raman-shifted ArF excimer laser. By suitable tuning of the laser, absorption is measured over a range of wavelengths in the region of the atomic line at 130.49 nm. The line shape function is determined from measurements at atomic oxygen densities of 3x10(exp 17) and 9x10(exp 17) cm(exp -3). The broadening coefficient for resonance interactions is deduced from this data, and this value is in accord with available theoretical models.

  13. Vacuum Ultraviolet Absorption Measurements of Atomic Oxygen in a Shock Tube

    NASA Technical Reports Server (NTRS)

    Meyer, Scott Andrew

    1995-01-01

    The absorption of vacuum ultraviolet light by atomic oxygen has been measured in the Electric Arc-driven Shock Tube (EAST) Facility at NASA-Ames Research Center. This investigation demonstrates the instrumentation required to determine atomic oxygen concentrations from absorption measurements in impulse facilities. A shock wave dissociates molecular oxygen, producing a high temperature sample of atomic oxygen in the shock tube. A probe beam is generated with a Raman-shifted ArF excimer laser. By suitable tuning of the laser, absorption is measured over a range of wavelengths in the region of the atomic line at 130.49 nm. The line shape function is determined from measurements at atomic oxygen densities of 3 x 10(exp 17) and 9 x 10(exp 17) cm(exp -3). The broadening coefficient for resonance interactions is deduced from this data, and this value is in accord with available theoretical models.

  14. Ethene adsorption and dehydrogenation on clean and oxygen precovered Ni(111) studied by high resolution x-ray photoelectron spectroscopy

    NASA Astrophysics Data System (ADS)

    Lorenz, M. P. A.; Fuhrmann, T.; Streber, R.; Bayer, A.; Bebensee, F.; Gotterbarm, K.; Kinne, M.; Tränkenschuh, B.; Zhu, J. F.; Papp, C.; Denecke, R.; Steinrück, H.-P.

    2010-07-01

    The adsorption and thermal evolution of ethene (ethylene) on clean and oxygen precovered Ni(111) was investigated with high resolution x-ray photoelectron spectroscopy using synchrotron radiation at BESSY II. The high resolution spectra allow to unequivocally identify the local environment of individual carbon atoms. Upon adsorption at 110 K, ethene adsorbs in a geometry, where the two carbon atoms within the intact ethene molecule occupy nonequivalent sites, most likely hollow and on top; this new result unambiguously solves an old puzzle concerning the adsorption geometry of ethene on Ni(111). On the oxygen precovered surface a different adsorption geometry is found with both carbon atoms occupying equivalent hollow sites. Upon heating ethene on the clean surface, we can confirm the dehydrogenation to ethine (acetylene), which adsorbs in a geometry, where both carbon atoms occupy equivalent sites. On the oxygen precovered surface dehydrogenation of ethene is completely suppressed. For the identification of the adsorbed species and the quantitative analysis the vibrational fine structure of the x-ray photoelectron spectra was analyzed in detail.

  15. Exposure of LDEF materials to atomic oxygen: Results of EOIM 3

    NASA Technical Reports Server (NTRS)

    Jaggers, C. H.; Meshishnek, M. J.

    1995-01-01

    The third Effects of Oxygen Atom Interaction with Materials (EOIM 3) experiment flew on STS-46 from July 31 to August 8, 1992. The EOIM-3 sample tray was exposed to the low-earth orbit space environment for 58.55 hours at an altitude of 124 nautical miles resulting in a calculated total atomic oxygen (AO) fluence of 1.99 x 10(exp 20) atoms/sq cm. Five samples previously flown on the Long Duration Exposure Facility (LDEF) Experiment M0003 were included on the Aerospace EOIM 3 experimental tray: (1) Chemglaze A276 white thermal control paint from the LDEF trailing edge (TE); (2) S13GLO white thermal control paint from the LDEF TE; (3) S13GLO from the LDEF leading edge (LE) with a visible contamination layer from the LDEF mission; (4) Z306 black thermal control paint from the LDEF TE with a contamination layer from the LDEF mission; and (5) anodized aluminum from the LDEF TE with a contamination layer from the LDEF mission. The purpose of this experiment was twofold: (l) investigate the response of trailing edge LDEF materials to atomic oxygen exposure, thereby simulating LDEF leading edge phenomena; (2) investigate the response of contaminated LDEF samples to atomic oxygen in attempts to understand LDEF contamination-atomic oxygen interactions. This paper describes the response of these materials to atomic oxygen exposure, and compares the results of the EOIM 3 experiment to the LDEF mission and to ground-based atomic oxygen exposure studies.

  16. Resonant enhanced multiphoton ionization studies of atomic oxygen

    NASA Technical Reports Server (NTRS)

    Dixit, S. N.; Levin, D.; Mckoy, V.

    1987-01-01

    In resonant enhanced multiphoton ionization (REMPI), an atom absorbs several photons making a transition to a resonant intermediate state and subsequently ionizing out of it. With currently available tunable narrow-band lasers, the extreme sensitivity of REMPI to the specific arrangement of levels can be used to selectively probe minute amounts of a single species (atom) in a host of background material. Determination of the number density of atoms from the observed REMPI signal requires a knowledge of the multiphoton ionization cross sections. The REMPI of atomic oxygen was investigated through various excitation schemes that are feasible with available light sources. Using quantum defect theory (QDT) to estimate the various atomic parameters, the REMPI dynamics in atomic oxygen were studied incorporating the effects of saturation and a.c. Stark shifts. Results are presented for REMPI probabilities for excitation through various 2p(3) (4S sup o) np(3)P and 2p(3) (4S sup o) nf(3)F levels.

  17. MISSE PEACE Polymers Atomic Oxygen Erosion Results

    NASA Technical Reports Server (NTRS)

    deGroh, Kim, K.; Banks, Bruce A.; McCarthy, Catherine E.; Rucker, Rochelle N.; Roberts, Lily M.; Berger, Lauren A.

    2006-01-01

    Forty-one different polymer samples, collectively called the Polymer Erosion and Contamination Experiment (PEACE) Polymers, have been exposed to the low Earth orbit (LEO) environment on the exterior of the International Space Station (ISS) for nearly 4 years as part of Materials International Space Station Experiment 2 (MISSE 2). The objective of the PEACE Polymers experiment was to determine the atomic oxygen erosion yield of a wide variety of polymeric materials after long term exposure to the space environment. The polymers range from those commonly used for spacecraft applications, such as Teflon (DuPont) FEP, to more recently developed polymers, such as high temperature polyimide PMR (polymerization of monomer reactants). Additional polymers were included to explore erosion yield dependence upon chemical composition. The MISSE PEACE Polymers experiment was flown in MISSE Passive Experiment Carrier 2 (PEC 2), tray 1, on the exterior of the ISS Quest Airlock and was exposed to atomic oxygen along with solar and charged particle radiation. MISSE 2 was successfully retrieved during a space walk on July 30, 2005, during Discovery s STS-114 Return to Flight mission. Details on the specific polymers flown, flight sample fabrication, pre-flight and post-flight characterization techniques, and atomic oxygen fluence calculations are discussed along with a summary of the atomic oxygen erosion yield results. The MISSE 2 PEACE Polymers experiment is unique because it has the widest variety of polymers flown in LEO for a long duration and provides extremely valuable erosion yield data for spacecraft design purposes.

  18. Atomic oxygen durability of solar concentrator materials for Space Station Freedom

    NASA Technical Reports Server (NTRS)

    Degroh, Kim K.; Terlep, Judith A.; Dever, Therese M.

    1990-01-01

    The findings are reviewed of atomic oxygen exposure testing of candidate solar concentrator materials containing SiO2 and Al2O3 protective coatings for use on Space Station Freedom solar dynamic power modules. Both continuous and iterative atomic oxygen exposure tests were conducted. Iterative air plasma ashing resulted in larger specular reflectance decreases and solar absorptance increases than continuous ashing to the same fluence, and appears to provide a more severe environment than the continuous atomic oxygen exposure that would occur in the low Earth orbit environment. First generation concentrator fabrication techniques produced surface defects including scratches, macroscopic bumps, dendritic regions, porosity, haziness, and pin hole defects. Several of these defects appear to be preferential sites for atomic oxygen attack leading to erosive undercutting. Extensive undercutting and flaking of reflective and protective coatings were found to be promoted through an undercutting tearing propagation process. Atomic oxygen erosion processes and effects on optical performance is presented.

  19. Oxygen chemisorption on copper (110)

    NASA Astrophysics Data System (ADS)

    Mundenar, J. M.; Baddorf, A. P.; Plummer, E. W.; Sneddon, L. G.; Didio, R. A.; Zehner, D. M.

    1987-09-01

    High resolution electron energy loss spectroscopy (EELS) and angle-resolved ultra-violet photoelectron spectroscopy (UPS) have been used: (1) to study a surface phonon of Cu(110) as a function of oxygen coverage, (2) to identify oxygen adsorption site(s) in the p(2×1)O, c(6×2)O, and disordered oxygen overlayer (formed by O 2 exposure at 100 K), and (3) to determine whether molecular adsorption or dissociation of O 2 followed by atomic adsorption occurs after oxygen exposure at 100 K. With EELS, a continuous shift in energy of the surface phonon as a function of oxygen exposure at 300 K is observed. Our EELS data for the p(2×1)O overlayer support previous reports of a single long-bridge adsorption site, while indicating two sites are populated in the c(6×2)O overlayer: a long-bridge site and a four-coordinated site. The long-bridge site is populated at all coverages while the four-coordinated sites is occupied only after high exposures (≥2×10 4 L) at room temperature, or after exposures >2 L at low temperature (100 K). For both conditions the oxygen coverages are greater than 0.5 monolayer. Also, EELS and complementary UPS data clearly show that oxygen adsorbs dissociatively on Cu(110) after O 2 exposure at 100 K. At this temperature, LEED results indicate that the oxygen atoms are adsorbed without long-range order; however, local adsorption sites, which are similar to those in the c(6×2)O surface, are observed.

  20. Partially autoionizing states of atomic oxygen

    NASA Technical Reports Server (NTRS)

    Samson, J. A. R.; Petrosky, V. E.

    1974-01-01

    Certain Rydberg states and an intershell transition of atomic oxygen were shown to partially autoionize, and to produce emission spectra competitive with autoionization. These states are forbidden to autoionize on the basis of LS coupling; but they were observed both in emission spectroscopy and in photoelectron spectroscopy. The results explain an unidentified structure in the 584 Angstrom He I atomic O spectrum observed by previous investigators.

  1. Atomic oxygen interaction at defect sights in protective coatings on polymers flown on LDEF

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.; Degroh, Kim K.; Auer, Bruce M.; Gebauer, Linda; Lamoreaux, Cynthia

    1993-01-01

    Although the Long Duration Exposure Facility (LDEF) has exposed materials with a fixed orientation relative to the ambient low-Earth-orbital environment, arrival of atomic oxygen is angularly distributed as a result of the atomic oxygen's high temperature Maxwellian velocity distribution and the LDEF's orbital inclination. Thus, atomic oxygen entering defects in protective coatings on polymeric surfaces can cause wider undercut cavities than the size of the defect in the protective coating. Because only a small fraction of atomic oxygen reacts upon first impact with most polymeric materials, secondary reactions with lower energy thermally accommodated atomic oxygen can occur. The secondary reactions of scattered and/or thermally accommodated atomic oxygen also contribute to widening the undercut cavity beneath the protective coating defect. As the undercut cavity enlarges, exposing more polymer, the probability of atomic oxygen reacting with underlying polymeric material increases because of multiple opportunities for reaction. Thus, the effective atomic oxygen erosion yield for atoms entering defects increases above that of the unprotected material. Based on the results of analytical modeling and computational modeling, aluminized Kapton multilayer insulation exposed to atomic oxygen on row 9 lost the entire externally exposed layer of polyimide Kapton, yet based on the results of this investigation, the bottom surface aluminum film must have remained in place, but crazed. Atomic oxygen undercutting at defect sites in protective coatings on graphite epoxy composites indicates that between 40 to 100 percent of the atomic oxygen thermally accommodates upon impact, and that the reaction probability of thermally accommodated atomic oxygen may range from 7.7 x 10(exp -6) to 2.1 x 10(exp -3), depending upon the degree of thermal accommodation upon each impact.

  2. Effective Hubbard model for Helium atoms adsorbed on a graphite

    NASA Astrophysics Data System (ADS)

    Motoyama, Yuichi; Masaki-Kato, Akiko; Kawashima, Naoki

    Helium atoms adsorbed on a graphite is a two-dimensional strongly correlated quantum system and it has been an attractive subject of research for a long time. A helium atom feels Lennard-Jones like potential (Aziz potential) from another one and corrugated potential from the graphite. Therefore, this system may be described by a hardcore Bose Hubbard model with the nearest neighbor repulsion on the triangular lattice, which is the dual lattice of the honeycomb lattice formed by carbons. A Hubbard model is easier to simulate than the original problem in continuous space, but we need to know the model parameters of the effective model, hopping constant t and interaction V. In this presentation, we will present an estimation of the model parameters from ab initio quantum Monte Carlo calculation in continuous space in addition to results of quantum Monte Carlo simulation for an obtained discrete model.

  3. Monte Carlo modeling of atomic oxygen attack of polymers with protective coatings on LDEF

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.; Degroh, Kim K.; Auer, Bruce M.; Gebauer, Linda; Edwards, Jonathan L.

    1993-01-01

    Characterization of the behavior of atomic oxygen interaction with materials on the Long Duration Exposure Facility (LDEF) assists in understanding of the mechanisms involved. Thus the reliability of predicting in-space durability of materials based on ground laboratory testing should be improved. A computational model which simulates atomic oxygen interaction with protected polymers was developed using Monte Carlo techniques. Through the use of an assumed mechanistic behavior of atomic oxygen interaction based on in-space atomic oxygen erosion of unprotected polymers and ground laboratory atomic oxygen interaction with protected polymers, prediction of atomic oxygen interaction with protected polymers on LDEF was accomplished. However, the results of these predictions are not consistent with the observed LDEF results at defect sites in protected polymers. Improved agreement between observed LDEF results and predicted Monte Carlo modeling can be achieved by modifying of the atomic oxygen interactive assumptions used in the model. LDEF atomic oxygen undercutting results, modeling assumptions, and implications are presented.

  4. Simulation of the low earth orbital atomic oxygen interaction with materials by means of an oxygen ion beam

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.; Rutledge, Sharon K.; Paulsen, Phillip E.; Steuber, Thomas J.

    1989-01-01

    Atomic oxygen is the predominant species in low-Earth orbit between the altitudes of 180 and 650 km. These highly reactive atoms are a result of photodissociation of diatomic oxygen molecules from solar photons having a wavelength less than or equal to 2430A. Spacecraft in low-Earth orbit collide with atomic oxygen in the 3P ground state at impact energies of approximately 4.2 to 4.5 eV. As a consequence, organic materials previously used for high altitude geosynchronous spacecraft are severely oxidized in the low-Earth orbital environment. The evaluation of materials durability to atomic oxygen requires ground simulation of this environment to cost effectively screen materials for durability. Directed broad beam oxygen sources are necessary to evaluate potential spacecraft materials performance before and after exposure to the simulated low-Earth orbital environment. This paper presents a description of a low energy, broad oxygen ion beam source used to simulate the low-Earth orbital atomic oxygen environment. The results of materials interaction with this beam and comparison with actual in-space tests of the same meterials will be discussed. Resulting surface morphologies appear to closely replicate those observed in space tests.

  5. Atomic Oxygen Durability Evaluation of a UV Curable Ceramer Protective Coating

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.; Karniotis, Christina A.; Dworak, David; Soucek, Mark

    2004-01-01

    The exposure of most silicones to atomic oxygen in low Earth orbit (LEO) results in the oxidative loss of methyl groups with a gradual conversion to oxides of silicon. Typically there is surface shrinkage of oxidized silicone protective coatings which leads to cracking of the partially oxidized brittle surface. Such cracks widen and branch crack with continued atomic oxygen exposure ultimately allowing atomic oxygen to reach any hydrocarbon polymers under the silicone coating. A need exists for a paintable silicone coating that is free from such surface cracking and can be effectively used for protection of polymers and composites in LEO. A new type of silicone based protective coating holding such potential was evaluated for atomic oxygen durability in an RF atomic oxygen plasma exposure facility. The coating consisted of a UV curable inorganic/organic hybrid coating, known as a ceramer, which was fabricated using a methyl substituted polysiloxane binder and nanophase silicon-oxo-clusters derived from sol-gel precursors. The polysiloxane was functionalized with a cycloaliphatic epoxide in order to be cured at ambient temperature via a cationic UV induced curing mechanism. Alkoxy silane groups were also grafted onto the polysiloxane chain, through hydrosilation, in order to form a network with the incorporated silicon-oxo-clusters. The prepared polymer was characterized by H-1 and Si-29 NMR, FT-IR, and electrospray ionization mass spectroscopy. The paper will present the results of atomic oxygen protection ability of thin ceramer coatings on Kapton H as evaluated over a range of atomic oxygen fluence levels.

  6. Atomic oxygen in the lower thermosphere

    NASA Technical Reports Server (NTRS)

    Lin, Florence J.; Chance, Kelly V.; Traub, Wesley A.

    1987-01-01

    The 63-micron line due to thermospheric atomic oxygen O(P-3), using a far-infrared spectrometer on a balloon platform at 37 km altitude over Palestine, TX, on June 20, 1983. From measurements of the equivalent width of this line at two elevation angles, a weak angular dependence is found: the equivalent width increases by a factor of 1.5 + or - 0.3 as the angle decreases from +30 deg to +1 deg. Since the optical depth of the O(P-3) line is large, the measured line intensity cannot be directly converted to a column abundance. Instead, the measurements are interpreted in terms of radiative transfer through a 16-layer atmosphere extending to 200 km. A model atmosphere for summer at 30 deg N, with an exospheric temperature of 1300 K, including an assumed daytime atomic oxygen abundance profile constructed from recent chemical and dynamical models and a water vapor abundance profile constructed from recent experimental and model results is used. For this assumed O(P-3) vertical profile shape a multiplicative scaling factor of 0.8, with an altitude-dependent uncertainty is determined. In the best-determined layer the uncertainty in the multiplier is + or - 0.2 at 119 km. The model-dependent peak atomic oxygen density is 3.6 (+ or - 1.9) x 10 to the 11th/cu cm at an altitude of about 101 km.

  7. Comparison of Atomic Oxygen Erosion Yields of Materials at Various Energy and Impact Angles

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.; Waters, Deborah L.; Thorson, Stephen D.; deGroh, Kim, K.; Snyder, Aaron; Miller, Sharon

    2006-01-01

    The atomic oxygen erosion yields of various materials, measured in volume of material oxidized per incident atomic oxygen atom, are compared to the commonly accepted standard of Kapton H (DuPont) polyimide. The ratios of the erosion yield of Kapton H to the erosion yield of various materials are not consistent at different atomic oxygen energies. Although it is most convenient to use isotropic thermal energy RF plasma ashers to assess atomic oxygen durability, the results can be misleading because the relative erosion rates at thermal energies are not necessarily the same as low Earth orbital (LEO) energies of approx.4.5 eV. An experimental investigation of the relative atomic oxygen erosion yields of a wide variety of polymers and carbon was conducted using isotropic thermal energy (approx.0.1 eV) and hyperthermal energy (approx.70 eV) atomic oxygen using an RF plasma asher and an end Hall ion source. For hyperthermal energies, the atomic oxygen erosion yields relative to normal incident Kapton H were compared for sweeping atomic oxygen arrival with that of normal incidence arrival. The results of isotropic thermal energy, normal incident, and sweeping incident atomic oxygen are also compared with measured or projected LEO values.

  8. Operation of the computer model for direct atomic oxygen exposure of Earth satellites

    NASA Technical Reports Server (NTRS)

    Bourassa, R. J.; Gruenbaum, P. E.; Gillis, J. R.; Hargraves, C. R.

    1995-01-01

    One of the primary causes of material degradation in low Earth orbit (LEO) is exposure to atomic oxygen. When atomic oxygen molecules collide with an orbiting spacecraft, the relative velocity is 7 to 8 km/sec and the collision energy is 4 to 5 eV per atom. Under these conditions, atomic oxygen may initiate a number of chemical and physical reactions with exposed materials. These reactions contribute to material degradation, surface erosion, and contamination. Interpretation of these effects on materials and the design of space hardware to withstand on-orbit conditions requires quantitative knowledge of the atomic oxygen exposure environment. Atomic oxygen flux is a function of orbit altitude, the orientation of the orbit plan to the Sun, solar and geomagnetic activity, and the angle between exposed surfaces and the spacecraft heading. We have developed a computer model to predict the atomic oxygen exposure of spacecraft in low Earth orbit. The application of this computer model is discussed.

  9. Reactions of atomic oxygen with the chlorate ion and the perchlorate ion

    NASA Astrophysics Data System (ADS)

    Anan'ev, Vladimir; Miklin, Mikhail; Kriger, Ludmila

    2014-06-01

    The reactions of the chlorate ion with atomic oxygen formed under photolysis of the nitrate ion introduced to potassium chlorate crystal by co-crystallization were studied by optical and infrared absorption spectroscopy. The perchlorate ion was found to form in solids as product of addition reaction of singlet atomic oxygen, formed under dissociation of the peroxynitrite ion - the product of isomerization of the excited nitrate ion. Triplet atomic oxygen does not react with the chlorate ion. The atomic oxygen formed under photolysis of the nitrate ion introduced to potassium perchlorate crystal by co-crystallization does not react with the perchlorate ion.

  10. Multi-functional magnesium alloys containing interstitial oxygen atoms.

    PubMed

    Kang, H; Choi, H J; Kang, S W; Shin, S E; Choi, G S; Bae, D H

    2016-03-15

    A new class of magnesium alloys has been developed by dissolving large amounts of oxygen atoms into a magnesium lattice (Mg-O alloys). The oxygen atoms are supplied by decomposing titanium dioxide nanoparticles in a magnesium melt at 720 °C; the titanium is then completely separated out from the magnesium melt after solidification. The dissolved oxygen atoms are located at the octahedral sites of magnesium, which expand the magnesium lattice. These alloys possess ionic and metallic bonding characteristics, providing outstanding mechanical and functional properties. A Mg-O-Al casting alloy made in this fashion shows superior mechanical performance, chemical resistance to corrosion, and thermal conductivity. Furthermore, a similar Mg-O-Zn wrought alloy shows high elongation to failure (>50%) at room temperature, because the alloy plastically deforms with only multiple slips in the sub-micrometer grains (<300 nm) surrounding the larger grains (~15 μm). The metal/non-metal interstitial alloys are expected to open a new paradigm in commercial alloy design.

  11. Operation of the computer model for microenvironment atomic oxygen exposure

    NASA Technical Reports Server (NTRS)

    Bourassa, R. J.; Gillis, J. R.; Gruenbaum, P. E.

    1995-01-01

    A computer model for microenvironment atomic oxygen exposure has been developed to extend atomic oxygen modeling capability to include shadowing and reflections. The model uses average exposure conditions established by the direct exposure model and extends the application of these conditions to treat surfaces of arbitrary shape and orientation.

  12. Low Earth orbit atomic oxygen simulation for durability evaluation of solar reflector surfaces

    NASA Technical Reports Server (NTRS)

    Degroh, Kim K.; Banks, Bruce A.

    1992-01-01

    To evaluate the performance and durability of solar reflector surfaces in the atomic oxygen environment typical of low Earth orbit (LEO), one must expose the reflector surface either directly to LEO or to ground-laboratory atomic oxygen environments. Although actual LEO exposures are most desired, such opportunities are typically scarce, expensive, and of limited duration. As a result, ground-laboratory exposures must be relied upon as the most practical long-term durability evaluation technique. Plasma ashers are widely used as LEO simulation facilities by producing atomic oxygen environments for durability evaluation of potential spacecraft materials. Atomic oxygen arrival differs between ground and space exposure in that plasma asher exposure produces isotropic arrival and space solar tracking produces sweeping arrival. Differences in initial impact reaction probability occur, dependent upon the energy and species existing in these environments. Due to the variations in ground-laboratory and space atomic oxygen, quantification of in-space performance based on plasma asher testing is not straightforward. The various atomic oxygen interactions that can occur with reflector surfaces, such as undercutting in organic substrates at protective coating defect sites, ground-laboratory techniques recommended for evaluating the atomic oxygen durability of reflectors based on asher exposures, and computational techniques which make use of ground-laboratory atomic oxygen exposure to predict in-space LEO durability are addressed.

  13. An Atmospheric Atomic Oxygen Source for Cleaning Smoke Damaged Art Objects

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.; Rutledge, Sharon K.; Norris, Mary Jo

    1998-01-01

    Soot and other carbonaceous combustion products deposited on the surfaces of porous ceramic, stone, ivory and paper can be difficult to remove and can have potentially unsatisfactory results using wet chemical and/or abrasive cleaning techniques. An atomic oxygen source which operates in air at atmospheric pressure, using a mixture of oxygen and helium, has been developed to produce an atomic oxygen beam which is highly effective in oxidizing soot deposited on surfaces by burning candles made of paraffin, oil or rendered animal fat. Atomic oxygen source operating conditions and the results of cleaning soot from paper, gesso, ivory, limestone and water color-painted limestone are presented,

  14. Atomic oxygen protective coating with resistance to undercutting at defect sites

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A. (Inventor); Rutledge, Sharon K. (Inventor)

    1994-01-01

    Structures composed at least partially of an organic substrate may be protected from oxidation by applying a catalyst onto said substrate for promoting the combination of atomic oxygen to molecular oxygen. The structure may also be protected by applying both a catalyst and an atomic oxygen shielding layer onto the substrate. The structures to be protected include spacecraft surfaces.

  15. Atomic scale observation of oxygen delivery during silver–oxygen nanoparticle catalysed oxidation of carbon nanotubes

    PubMed Central

    Yue, Yonghai; Yuchi, Datong; Guan, Pengfei; Xu, Jia; Guo, Lin; Liu, Jingyue

    2016-01-01

    To probe the nature of metal-catalysed processes and to design better metal-based catalysts, atomic scale understanding of catalytic processes is highly desirable. Here we use aberration-corrected environmental transmission electron microscopy to investigate the atomic scale processes of silver-based nanoparticles, which catalyse the oxidation of multi-wall carbon nanotubes. A direct semi-quantitative estimate of the oxidized carbon atoms by silver-based nanoparticles is achieved. A mechanism similar to the Mars–van Krevelen process is invoked to explain the catalytic oxidation process. Theoretical calculations, together with the experimental data, suggest that the oxygen molecules dissociate on the surface of silver nanoparticles and diffuse through the silver nanoparticles to reach the silver/carbon interfaces and subsequently oxidize the carbon. The lattice distortion caused by oxygen concentration gradient within the silver nanoparticles provides the direct evidence for oxygen diffusion. Such direct observation of atomic scale dynamics provides an important general methodology for investigations of catalytic processes. PMID:27406595

  16. Reactivity of amino acid anions with nitrogen and oxygen atoms.

    PubMed

    Wang, Zhe-Chen; Li, Ya-Ke; He, Sheng-Gui; Bierbaum, Veronica M

    2018-02-14

    For many decades, astronomers have searched for biological molecules, including amino acids, in the interstellar medium; this endeavor is important for investigating the hypothesis of the origin of life from space. The space environment is complex and atomic species, such as nitrogen and oxygen atoms, are widely distributed. In this work, the reactions of eight typical deprotonated amino acids (glycine, alanine, cysteine, proline, aspartic acid, histidine, tyrosine, and tryptophan) with ground state nitrogen and oxygen atoms are studied by experiment and theory. These amino acid anions do not react with nitrogen atoms. However, the reactions of these ions with oxygen atoms show an intriguing variety of ionic products and the reaction rate constants are of the order of 10 -10 cm 3 s -1 . Density functional calculations provide detailed mechanisms of the reactions, and demonstrate that spin conversion is essential for some processes. Our study provides important data and insights for understanding the kinetic and dynamic behavior of amino acids in space environments.

  17. STM observation of the chemical reaction of atomic hydrogen on the N-adsorbed Cu(001) surface

    NASA Astrophysics Data System (ADS)

    Hattori, Takuma; Yamada, Masamichi; Komori, Fumio

    2017-01-01

    Chemical reaction of atomic hydrogen with the N-adsorbed Cu(001) surfaces was investigated at room temperature by scanning tunnel microscopy. At the low exposure of atomic hydrogen, it reacted with the N atoms and turned to be the NH species on the surface. The reaction rate is proportional to the amount of the unreacted N atoms. By increasing the exposure of atomic hydrogen from this condition, the amount of nitrogen species on the surface decreased. This is attributed to the formation of ammonia and its desorption from the surface. The NH species on the surface turn to NH3 through the surface NH2 species by atomic hydrogen. Coexistence of the clean Cu surface enhances the rate of ammonia formation owing to atomic hydrogen migrating on the clean surface.

  18. Laboratory Studies of Ice Growth in the Presence of Oxygen Atoms

    NASA Astrophysics Data System (ADS)

    Morgan, C. G.; Boulter, J. E.; Marschall, J.

    2003-12-01

    In the mesopause region, where noctilucent clouds (NLCs) form and polar summertime echoes are present, atomic oxygen is the dominant reactive species. Observations by Gumbel et al. (1998) reveal sharp gradients and distinctive minima in oxygen atom concentration coinciding with observed NLC layers. These observations suggest an interaction between oxygen atoms and NLC particles. Recent laboratory studies conclude that the uptake coefficient of atomic oxygen on ice is not large enough to change the gas-phase concentrations in the mesosphere lower thermosphere (MLT) region (Murray and Plane, 2003). However, the question of whether or not atomic oxygen can affect the formation and growth of ice has not been experimentally addressed. To gain insight into possible interactions between atomic oxygen and ice surfaces, we directly measure ice growth rates at temperatures associated with the summertime mesopause region (110-150 K), with and without exposure of the growing ice layer to partially dissociated oxygen. A liquid nitrogen cooled cryostat is used to control the temperature of a gold mirror in a high vacuum chamber. Water vapor, either from the residual background or from an introduced source, is allowed to condense on the mirror. A microwave discharge is used to partially dissociate an oxygen stream, which is sampled into the chamber through a small orifice facing the gold mirror. Grazing angle Fourier transform infrared reflection absorption spectroscopy (FTIR-RAS) is used to monitor the rate of ice growth. Preliminary results at 130 K indicate that the ice growth rate in the presence of oxygen slows when the microwave discharge is activated and the ratio of water to oxygen is low. For H2O/O2 = ˜0.3 %, at a total chamber pressure of about 7 μ Torr, the growth rate reduction amounts to 24+/-9 %. Changes in the FTIR-RAS absorption profile of the OH stretching vibrations are also noted, which may indicate changes in ice morphology. Both results suggest that the

  19. Effects of atomic oxygen on polymeric materials flown on EOIM-3

    NASA Technical Reports Server (NTRS)

    Kamenetzky, Rachel R.; Linton, Roger C.; Finckenor, Miria M.; Vaughn, Jason A.

    1995-01-01

    Diverse polymeric materials, including several variations of Kapton, were flown on STS-46 as part of the Evaluation of Oxygen Interaction with Materials Experiment (EOIM-3). These materials were flown in the cargo bay and exposed to the space environment July 31 - August 8, 1992, including 40 hours of direct atomic oxygen impingement. The atomic oxygen exposure was approximately 2.2 x 10(exp 20) atoms/sq cm. Polymeric materials flown on EOIM-3 include coated and uncoated Kapton, Tefzel ETFE, Lexan, FEP and TFE Teflon, bulk Halar and PEEK, S383 silicone and Viton elastomeric seal material. Analyses performed included thickness measurements using Dektak and eddy current methods, mass loss, resistance, permeability, hardness, and FTIR. The effects of stress and the space environment on Kapton were also evaluated. Previous EOIM missions on STS-5 and STS-8 and the Long Duration Exposure Facility also contained polymeric material samples. Data from these previous flights are shown for comparison, as well as ground simulation of space environment effects using both thermal energy flow tubes and 5 eV neutral atomic oxygen beam facilities. Reaction efficiencies for the various atomic oxygen exposure conditions are discussed.

  20. Performance and properties of atomic oxygen protective coatings for polymeric materials

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.; Lamoreaux, Cynthia

    1992-01-01

    Such large LEO spacecraft as the Space Station Freedom will encounter high atomic oxygen fluences which entail the use of protective coatings for their polymeric structural materials. Such coatings have demonstrated polymer mass losses due to oxidation that are much smaller than those of unprotected materials. Attention is here given to protective and/or electrically conductive coatings of SiO(x), Ge, and indium-tin oxide which have been exposed to atomic oxygen in order to ascertain mass loss, electrical conductivity, and optical property dependence on atomic oxygen exposure.

  1. Energetic Metastable Oxygen and Nitrogen Atoms in the Terrestrial Atmosphere

    NASA Technical Reports Server (NTRS)

    Kharchenko, Vasili

    2004-01-01

    We have investigated the impact of hot metastable oxygen atoms on the product yields and rate coefficients of atmospheric reactions involving O( (sup 1)D). The contribution of the metastable oxygen atoms to the thermal balance of the terrestrial atmosphere between 50 and 200 km has been determined. We found that the presence of hot O((sup l)D) atoms in the mesosphere and lower thermosphere significantly increases the production rate of the rotationally-vibrationally excited NO molecules. The computed yield of the NO molecules in N2O+ O((sup 1)D) atmospheric collisions, involving non-Maxwellian distributions of the metastable oxygen atoms, is more than two times larger than the NO-yield at a thermal equilibrium. The calculated non-equilibrium rate and yield functions are important for ozone and nitrous oxide modeling in the stratosphere, mesosphere and lower thermosphere.

  2. Method for modifying trigger level for adsorber regeneration

    DOEpatents

    Ruth, Michael J.; Cunningham, Michael J.

    2010-05-25

    A method for modifying a NO.sub.x adsorber regeneration triggering variable. Engine operating conditions are monitored until the regeneration triggering variable is met. The adsorber is regenerated and the adsorbtion efficiency of the adsorber is subsequently determined. The regeneration triggering variable is modified to correspond with the decline in adsorber efficiency. The adsorber efficiency may be determined using an empirically predetermined set of values or by using a pair of oxygen sensors to determine the oxygen response delay across the sensors.

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

    NASA Technical Reports Server (NTRS)

    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. Multi-functional magnesium alloys containing interstitial oxygen atoms

    PubMed Central

    Kang, H.; Choi, H. J.; Kang, S. W.; Shin, S. E.; Choi, G. S.; Bae, D. H.

    2016-01-01

    A new class of magnesium alloys has been developed by dissolving large amounts of oxygen atoms into a magnesium lattice (Mg-O alloys). The oxygen atoms are supplied by decomposing titanium dioxide nanoparticles in a magnesium melt at 720 °C; the titanium is then completely separated out from the magnesium melt after solidification. The dissolved oxygen atoms are located at the octahedral sites of magnesium, which expand the magnesium lattice. These alloys possess ionic and metallic bonding characteristics, providing outstanding mechanical and functional properties. A Mg-O-Al casting alloy made in this fashion shows superior mechanical performance, chemical resistance to corrosion, and thermal conductivity. Furthermore, a similar Mg-O-Zn wrought alloy shows high elongation to failure (>50%) at room temperature, because the alloy plastically deforms with only multiple slips in the sub-micrometer grains (<300 nm) surrounding the larger grains (~15 μm). The metal/non-metal interstitial alloys are expected to open a new paradigm in commercial alloy design. PMID:26976372

  5. Theoretical approach to oxygen atom degradation of silver

    NASA Technical Reports Server (NTRS)

    Fromhold, Albert T., Jr.; Noh, Seung; Beshears, Ronald; Whitaker, Ann F.; Little, Sally A.

    1987-01-01

    Based on available Rutherford backscattering spectrometry (RBS), proton induced X-ray emission (PIXE) and ellipsometry data obtained on silver specimens subjected to atomic oxygen attack in low Earth orbit STS flight 41-G, a theory was developed to model the oxygen atom degradation of silver. The diffusion of atomic oxygen in a microscopically nonuniform medium is an essential constituent of the theory. The driving force for diffusion is the macroscopic electrochemical potential gradient developed between the specimen surface exposed to the ambient and the bulk of the silver specimen. The longitudinal electric effect developed parallel to the gradient is modified by space charge of the diffusing charged species. Lateral electric fields and concentration differences also exist due to the nonuniform nature of the medium. The lateral concentration differences are found to be more important than the lateral electric fields in modifying the diffusion rate. The model was evaluated numerically. Qualitative agreement exists between the kinetics predicted by the theory and kinetic data taken in ground-based experiments utilizing a plasma asher.

  6. Atomic Oxygen Lamp Cleaning Facility Fabricated and Tested

    NASA Technical Reports Server (NTRS)

    Sechkar, Edward A.; Stueber, Thomas J.

    1999-01-01

    NASA Lewis Research Center's Atomic Oxygen Lamp Cleaning Facility was designed to produce an atomic oxygen plasma within a metal halide lamp to remove carbon-based contamination. It is believed that these contaminants contribute to the high failure rate realized during the production of these lamps. The facility is designed to evacuate a metal halide lamp and produce a radio frequency generated atomic oxygen plasma within it. Oxygen gas, with a purity of 0.9999 percent and in the pressure range of 150 to 250 mtorr, is used in the lamp for plasma generation while the lamp is being cleaned. After cleaning is complete, the lamp can be backfilled with 0.9999-percent pure nitrogen and torch sealed. The facility comprises various vacuum components connected to a radiation-shielded box that encloses the bulb during operation. Radiofrequency power is applied to the two parallel plates of a capacitor, which are on either side of the lamp. The vacuum pump used, a Leybold Trivac Type D4B, has a pumping speed of 4-m3/hr, has an ultimate pressure of <8x10-4, and is specially adapted for pure oxygen service. The electronic power supply, matching network, and controller (500-W, 13.56-MHz) used to supply the radiofrequency power were purchased from RF Power Products Inc. Initial test results revealed that this facility could remove the carbon-based contamination from within bulbs.

  7. Characterization of a 5-eV neutral atomic oxygen beam facility

    NASA Technical Reports Server (NTRS)

    Vaughn, J. A.; Linton, R. C.; Carruth, M. R., Jr.; Whitaker, A. F.; Cuthbertson, J. W.; Langer, W. D.; Motley, R. W.

    1991-01-01

    An experimental effort to characterize an existing 5-eV neutral atomic oxygen beam facility being developed at Princeton Plasma Physics Laboratory is described. This characterization effort includes atomic oxygen flux and flux distribution measurements using a catalytic probe, energy determination using a commercially designed quadrupole mass spectrometer (QMS), and the exposure of oxygen-sensitive materials in this beam facility. Also, comparisons were drawn between the reaction efficiencies of materials exposed in plasma ashers, and the reaction efficiencies previously estimated from space flight experiments. The results of this study show that the beam facility is capable of producing a directional beam of neutral atomic oxygen atoms with the needed flux and energy to simulate low Earth orbit (LEO) conditions for real time accelerated testing. The flux distribution in this facility is uniform to +/- 6 percent of the peak flux over a beam diameter of 6 cm.

  8. Production of pulsed atomic oxygen beams via laser vaporization methods

    NASA Technical Reports Server (NTRS)

    Brinza, David E.; Coulter, Daniel R.; Liang, Ranty H.; Gupta, Amitava

    1986-01-01

    The generation of energetic pulsed atomic oxygen beams by laser-driven evaporation of cryogenically frozen ozone/oxygen films and thin indium-tin oxide (ITO) films is reported. Mass spectroscopy is used in the mass and energy characterization of beams from the ozone/oxygen films, and a peak flux of 3 x 10 to the 20th/sq m per sec at 10 eV is found. Analysis of the time-of-flight data suggests that several processes contribute to the formation of the oxygen beam. Results show the absence of metastable states such as the 2p(3)3s(1)(5S) level of atomic oxygen blown-off from the ITO films. The present process has application to the study of the oxygen degradation problem of LEO materials.

  9. Evaluation of atomic oxygen resistant protective coatings for fiberglass-epoxy composites in LEO

    NASA Technical Reports Server (NTRS)

    Rutledge, Sharon K.; Paulsen, Phillip E.; Brady, Joyce A.

    1989-01-01

    Fiberglass-epoxy composite masts are the prime structural members for the Space Station Freedom solar array. At the altitude where Space Station Freedom will operate, atomic oxygen atoms are the most predominant species. Atomic oxygen is highly reactive and has been shown to oxidize organic and some metallic materials. Tests with random and directed atomic oxygen exposure have shown that the epoxy is removed from the composite exposing brittle glass fibers which could be easily removed from the surface where they could contaminate Space Station Freedom Systems. Protection or fiber containment systems; inorganic based paints, aluminum braid, and a metal coating; were evaluated for resistance to atomic oxygen, vacuum ultraviolet radiation, thermal cycling, and mechanical flexing. All appeared to protect well against atomic oxygen and provide fiber containment except for the single aluminum braid covering. UV radiation resistance was acceptable and in general, thermal cycling and flexure had little to no effect on the mass loss rate for most coatings.

  10. Energetics of a Li Atom adsorbed on B/N doped graphene with monovacancy

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Rani, Babita, E-mail: babitabaghla15@gmail.com; Department of Physics, Punjabi University, Patiala 147002; Jindal, V.K.

    We use density functional theory (DFT) to study the adsorption properties and diffusion of Li atom across B/N-pyridinic graphene. Regardless of the dopant type, B atoms of B-pyridinic graphene lose electron density. On the other hand, N atoms (p-type dopants) have tendency to gain electron density in N-pyridinic graphene. Higher chemical reactivity and electronic conductivity of B/N-pyridinic graphene are responsible for stronger binding of Li with the substrates as compared to pristine graphene. The binding energy of Li with B/N-pyridinic graphene exceeds the cohesive energy of bulk Li, making it energetically unfavourable for Li to form clusters on these substrates.more » Li atom gets better adsorbed on N-pyridinic graphene due to an additional p-p hybridization of the orbitals while Li on B-pyridinic prefers the ionic bonding. Also, significant distortion of N-pyridinic graphene upon Li adsorption is a consequence of the change in bonding mechanism between Li atom and the substrate. Our results show that bonding character and hence binding energies between Li and graphene can be tuned with the help of B/N doping of monovacancy defects. Further, the sites for most stable adsorption are different for the two types of doped and defective graphene, leading to greater Li uptake capacity of B-pyridinic graphene near the defect. In addition, B-pyridinic graphene offering lower diffusion barrier, ensures better Li kinetics. Thus, B-pyridinic graphene presents itself as a better anode material for LIBs as compared to N-pyridinic graphene. - Graphical abstract: Adsorption and diffusion of Li atom across the B/N doped monovacancy graphene is studied using ab-initio DFT calculations. Our results show that bonding mechanism and binding of Li with graphene can be tuned with the help of N/B doping of defects. Also, B-pyridinic graphene presents itself as a better anode material for lithium ion batteries as compared to N-pyridinic graphene. Display Omitted - Highlights:

  11. A kinetic study of the interaction between atomic oxygen and aerosols

    NASA Technical Reports Server (NTRS)

    Akers, F. I.; Wightman, J. P.

    1976-01-01

    This study was concerned with the effects of NH4Cl and (NH4)2SO4 aerosols on the kinetics of disappearance of atomic oxygen. Atomic oxygen was generated by a 2.45-GHz microwave discharge and the kinetics of disappearance measured in a fast flow system using NO2 titration. Values of the recombination coefficient for heterogeneous wall recombination were determined for clean, H2SO4-coated, and (NH4)2SO4-coated Pyrex to be 0.000050, 0.000020, and 0.000019, respectively. A rapid exothermic chemical reaction was found to occur between atomic oxygen and an NH4Cl wall coating; the products were NH3, NO, H2O, and HCl. The NH4Cl aerosol was generated by gas phase reaction of NH3 with HCl. The aerosol particles were approximately spherical and nearly monodisperse with a mean diameter of 1.6 plus or minus 0.2 micron. The rate constant for the disappearance of atomic oxygen in the presence of NH4Cl aerosol was measured. No significant decrease was observed in the rate of disappearance of atomic oxygen in the presence of an (NH4)2SO4 aerosol at a concentration of 285 mg per cu m.

  12. The surface properties of fluorinated polyimides exposed to VUV and atomic oxygen

    NASA Technical Reports Server (NTRS)

    Forsythe, John S.; George, Graeme A.; Hill, David J. T.; Odonnell, James H.; Pomery, Peter J.; Rasoul, Firas A.

    1995-01-01

    The effect of atomic oxygen flux and VUV radiation alone and in combination on the surface of fluorinated polyimide films was studied using XPS spectroscopy. Exposure of fluorinated polyimides to VUV radiation alone caused no observable damage to the polymer surface, while an atomic oxygen flux resulted in substantial oxidation of the surface. On the other hand, exposure to VUV radiation and atomic oxygen in combination caused extensive oxidation of the polymer surface after only 2 minutes of exposure. The amount of oxidized carbon on the polymer surface indicated that there is aromatic ring opening oxidation. The changes in the O1s/C1s, N1s/C1s, and F1s/C1s ratios suggested that an ablative degradation process is highly favorable. A synergistic effect of VUV radiation in the presence of atomic oxygen is clearly evidenced from the XPS study. The atomic oxygen could be considered as the main factor in the degradation process of fluorinated polyimide films exposed to a low earth orbit environment.

  13. Energetic Metastable Oxygen and Nitrogen Atoms in the Terrestrial Atmosphere

    NASA Technical Reports Server (NTRS)

    Kharchenko, Vasili; Dalgarno, A.

    2005-01-01

    This report summarizes our research performed under NASA Grant NAG5-11857. The three-year grant have been supported by the Geospace Sciences SR&T program. We have investigated the energetic metastable oxygen and nitrogen atoms in the terrestrial stratosphere, mesosphere and thermosphere. Hot atoms in the atmosphere are produced by solar radiation, the solar wind and various ionic reactions. Nascent hot atoms arise in ground and excited electronic states, and their translational energies are larger by two - three orders of magnitude than the thermal energies of the ambient gas. The relaxation kinetics of hot atoms determines the rate of atmospheric heating, the intensities of aeronomic reactions, and the rate of atom escape from the planet. Modeling of the non-Maxwellian energy distributions of metastable oxygen and nitrogen atoms have been focused on the determination of their impact on the energetics and chemistry of the terrestrial atmosphere between 25 and 250 km . At this altitudes, we have calculated the energy distribution functions of metastable O and N atoms and computed non-equilibrium rates of important aeronomic reactions, such as destruction of the water molecules by O(1D) atoms and production of highly excited nitric oxide molecules. In the upper atmosphere, the metastable O(lD) and N(2D) play important role in formation of the upward atomic fluxes. We have computed the upward fluxes of the metastable and ground state oxygen atoms in the upper atmosphere above 250 km. The accurate distributions of the metastable atoms have been evaluated for the day and night-time conditions.

  14. Single Platinum Atoms Electrocatalysts: Oxygen Reduction and Hydrogen Oxidation Reactions

    DOE PAGES

    Vukmirovic, Miomir B.; Teeluck, Krishani M.; Liu, Ping; ...

    2017-08-08

    We prepared atomically dispersed catalyst consisting of Pt atoms arranged in a c(2 × 2) array on RuO2(110) substrate. A large interatomic distance of Pt atoms in a c(2 × 2) phase precludes the reactants to interact with more than one Pt atoms. A strong bond of Pt atoms with RuO2 prevents agglomeration of Pt atoms to form 2D-islands or 3D-clusters. The activities of single Pt atom catalyst for the oxygen reduction and hydrogen oxidation reactions were determined and compared with those of bulk Pt. It has lower catalytic activity for the oxygen reduction reaction and similar activity for hydrogenmore » oxidation reaction compared to Pt(111). This was explained by a large calculated up-shift of the dband center of Pt atoms and larger Pt-Pt interatomic distance than that of Pt(111). Our information is of considerable interest for further development of electrocatalysis.« less

  15. Atomic Oxygen Treatment as a Method of Recovering Smoke Damaged Paintings

    NASA Technical Reports Server (NTRS)

    Rutledge, Sharon K.; Banks, Bruce A.; Forkapa, Mark; Stueber, Thomas; Sechkar, Edward; Malinowski, Kevin

    1998-01-01

    Smoke damage, as a result of a fire, can be difficult to remove from some types of painting media without causing swelling, leaching or pigment movement or removal. A non-contact technique has been developed which can remove soot from the surface of a painting by use of a gently flowing gas containing atomic oxygen. The atomic oxygen chemically reacts with the soot on the surface creating gasses such as carbon monoxide and carbon dioxide which can be removed through the use of an exhaust system. The reaction is limited to the surface so that the process can be timed to stop when the paint layer is reached. Atomic oxygen is a primary component of the low Earth orbital environment, but can be generated on Earth through various methods. This paper will discuss the results of atomic oxygen treatment of soot exposed acrylic gesso, ink on paper, and a varnished oil painting. Reflectance measurements were used to characterize the surfaces before and after treatment.

  16. High performance platinum single atom electrocatalyst for oxygen reduction reaction

    NASA Astrophysics Data System (ADS)

    Liu, Jing; Jiao, Menggai; Lu, Lanlu; Barkholtz, Heather M.; Li, Yuping; Wang, Ying; Jiang, Luhua; Wu, Zhijian; Liu, Di-Jia; Zhuang, Lin; Ma, Chao; Zeng, Jie; Zhang, Bingsen; Su, Dangsheng; Song, Ping; Xing, Wei; Xu, Weilin; Wang, Ying; Jiang, Zheng; Sun, Gongquan

    2017-07-01

    For the large-scale sustainable implementation of polymer electrolyte membrane fuel cells in vehicles, high-performance electrocatalysts with low platinum consumption are desirable for use as cathode material during the oxygen reduction reaction in fuel cells. Here we report a carbon black-supported cost-effective, efficient and durable platinum single-atom electrocatalyst with carbon monoxide/methanol tolerance for the cathodic oxygen reduction reaction. The acidic single-cell with such a catalyst as cathode delivers high performance, with power density up to 680 mW cm-2 at 80 °C with a low platinum loading of 0.09 mgPt cm-2, corresponding to a platinum utilization of 0.13 gPt kW-1 in the fuel cell. Good fuel cell durability is also observed. Theoretical calculations reveal that the main effective sites on such platinum single-atom electrocatalysts are single-pyridinic-nitrogen-atom-anchored single-platinum-atom centres, which are tolerant to carbon monoxide/methanol, but highly active for the oxygen reduction reaction.

  17. Fast Three-Dimensional Method of Modeling Atomic Oxygen Undercutting of Protected Polymers

    NASA Technical Reports Server (NTRS)

    Snyder, Aaron; Banks, Bruce A.

    2002-01-01

    A method is presented to model atomic oxygen erosion of protected polymers in low Earth orbit (LEO). Undercutting of protected polymers by atomic oxygen occurs in LEO due to the presence of scratch, crack or pin-window defects in the protective coatings. As a means of providing a better understanding of undercutting processes, a fast method of modeling atomic-oxygen undercutting of protected polymers has been developed. Current simulation methods often rely on computationally expensive ray-tracing procedures to track the surface-to-surface movement of individual "atoms." The method introduced in this paper replaces slow individual particle approaches by substituting a model that utilizes both a geometric configuration-factor technique, which governs the diffuse transport of atoms between surfaces, and an efficient telescoping series algorithm, which rapidly integrates the cumulative effects stemming from the numerous atomic oxygen events occurring at the surfaces of an undercut cavity. This new method facilitates the systematic study of three-dimensional undercutting by allowing rapid simulations to be made over a wide range of erosion parameters.

  18. Atomic oxygen fine-structure splittings with tunable far-infrared spectroscopy

    NASA Technical Reports Server (NTRS)

    Zink, Lyndon R.; Evenson, Kenneth M.; Matsushima, Fusakazu; Nelis, Thomas; Robinson, Ruth L.

    1991-01-01

    Fine-structure splittings of atomic oxygen (O-16) in the ground state have been accurately measured using a tunable far-infrared spectrometer. The 3P0-3pl splitting is 2,060,069.09 (10) MHz, and the 3Pl-3P2 splitting is 4,744,777.49 (16) MHz. These frequencies are important for measuring atomic oxygen concentration in earth's atmosphere and the interstellar medium.

  19. Adsorbed Layers of Ferritin at Solid and Fluid Interfaces Studied by Atomic Force Microscopy.

    PubMed

    Johnson; Yuan; Lenhoff

    2000-03-15

    The adsorption of the iron storage protein ferritin was studied by liquid tapping mode atomic force microscopy in order to obtain molecular resolution in the adsorbed layer within the aqueous environment in which the adsorption was carried out. The surface coverage and the structure of the adsorbed layer were investigated as functions of ionic strength and pH on two different charged surfaces, namely chemically modified glass slides and mixed surfactant films at the air-water interface, which were transferred to graphite substrates after adsorption. Surface coverage trends with both ionic strength and pH indicate the dominance of electrostatic effects, with the balance shifting between intermolecular repulsion and protein-surface attraction. The resulting behavior is more complex than that seen for larger colloidal particles, which appear to follow a modified random sequential adsorption model monotonically. The structure of the adsorbed layers at the solid surfaces is random, but some indication of long-range order is apparent at fluid interfaces, presumably due to the higher protein mobility at the fluid interface. Copyright 2000 Academic Press.

  20. Experimental results on atomic oxygen corrosion of silver

    NASA Technical Reports Server (NTRS)

    Fromhold, Albert T.

    1988-01-01

    The results of an experimental study of the reaction kinetics of silver with atomic oxygen in 10 degree increments over the temperature range of 0 to 70 C is reported. The silver specimens, of the order of 10,000 A in thickness, were prepared by thermal evaporation onto 3 inch diameter polished silicon wafers. There were later sliced into pieces having surface areas of the order of 1/4 to 1/2 square inch. Atomic oxygen was generated by a gas discharge in a commercial plasmod asher operating in the megahertz frequency range. The sample temperature within the chamber was controlled by means of a thermoelectric unit. Exposure of the silver specimens to atomic oxygen was incremental, with oxide film thickness measurements being carried out between exposures by means of an automated ellipsometer. For the early growth phase, the data can be described satisfactorily by a logarithmic growth law: the oxide film thickness increases as the logarithm of the exposure time. Furthermore, the oxidation process is thermally activated, the rate increasing with increasing temperature. However, the empirical activation energy parameter deduced from Arrhenius plots is quite low, being of the order of 0.1 eV.

  1. Vacuum ultraviolet radiation/atomic oxygen synergism in materials reactivity

    NASA Technical Reports Server (NTRS)

    Koontz, Steven; Leger, Lubert; Albyn, Keith; Cross, Jon

    1990-01-01

    Experimental results are presented which indicate that low fluxes of vacuum UV (VUV) radiation exert a pronounced influence on the atomic oxygen reactivity of such fluorocarbon and fluorocarbon spacecraft materials as the FEP Teflon and PCTFE that are under consideration for the Space Station Freedom. With simultaneous exposure to VUV fluxes comparable to those experienced in LEO, the reactivity of these materials becomes comparable to that of Kapton; VUV radiation has also been shown to increase the reactivity of Kapton with thermal-energy oxygen atoms.

  2. A spectral study of a radio-frequency plasma-generated flux of atomic oxygen

    NASA Technical Reports Server (NTRS)

    Batten, Carmen E.; Brown, Kenneth G.; Lewis, Beverley W.

    1994-01-01

    The active environment of a radio-frequency (RF) plasma generator, with and without low-pressure oxygen, has been characterized through the identification of emission lines in the spectral region from 250 to 900 nm. The environment is shown to be dependent on the partial pressure of oxygen and the power applied to the RF generator. Atomic oxygen has been found in significant amounts as well as atomic hydrogen and the molecular oxygen species O2((sup 1)Sigma). The only charged species observed was the singly charged molecular ion O2(+). With a polymer specimen in the plasma chamber, carbon monoxide was also observed. The significance of these observations with respect to previous studies using this type of generator to stimulate material degradation in space is discussed. The possibility of using these generators as atomic oxygen sources in the development of oxygen atom fluorescence sensors is explored.

  3. Atomic Oxygen Durability Testing of an International Space Station Solar Array Validation Coupon

    NASA Technical Reports Server (NTRS)

    Forkapa, Mark J.; Stidham, Curtis; Banks, Bruce A.; Rutledge, Sharon K.; Ma, David H.; Sechkar, Edward A.

    1996-01-01

    An International Space Station solar array validation coupon was exposed in a directed atomic oxygen beam for space environment durability testing at the NASA Lewis Research Center. Exposure to atomic oxygen and intermittent tensioning of the solar array were conducted to verify the solar array#s durability to low Earth orbital atomic oxygen and to the docking threat of plume loading both of which are anticipated over its expected mission life of fifteen years. The validation coupon was mounted on a specially designed rotisserie. The rotisserie mounting enabled the solar and anti-solar facing side of the array to be exposed to directed atomic oxygen in a sweeping arrival process replicating space exposure. The rotisserie mounting also enabled tensioning, in order to examine the durability of the array and its hinge to simulated plume loads. Flash testing to verify electrical performance of the solar array was performed with a solar simulator before and after the exposure to atomic oxygen and tensile loading. Results of the flash testing indicated little or no degradation in the solar array#s performance. Photographs were also taken of the array before and after the durability testing and are included along with comparisons and discussions in this report. The amount of atomic oxygen damage appeared minor with the exception of a very few isolated defects. There were also no indications that the simulated plume loadings had weakened or damaged the array, even though there was some erosion of Kapton due to atomic oxygen attack. Based on the results of this testing, it is apparent that the International Space Station#s solar arrays should survive the low Earth orbital atomic oxygen environment and docking threats which are anticipated over its expected mission life.

  4. Highly regenerable carbon-Fe3O4 core-satellite nanospheres as oxygen reduction electrocatalyst and magnetic adsorbent

    NASA Astrophysics Data System (ADS)

    Zhou, Wenqiang; Liu, Minmin; Cai, Chao; Zhou, Haijun; Liu, Rui

    2017-02-01

    We present the synthesis and multifunctional utilization of core-satellite carbon-Fe3O4 nanoparticles to serve as the enabling platform for a range of applications including oxygen reduction reaction (ORR) and magnetic adsorbent. Starting from polydopamine (PDA) nanoparticles and Fe(NO3)3, carbon-Fe3O4 core-satellite nanospheres are synthesized through successive steps of impregnation, ammoniation and carbonization. The synergistic combination of Fe3O4 and N-doped carbon endows the nanocomposite with high electrochemical activity in ORR and mainly four electrons transferred in reaction process. Furthermore, carbon-Fe3O4 nanoparticles used as magnetic adsorbent exhibit the efficient removal of Rhodamine B from an aqueous solution. The recovery and reuse of the adsorbent is demonstrated 5 times without any detectible loss in activity.

  5. A Sensitive Technique Using Atomic Force Microscopy to Measure the Low Earth Orbit Atomic Oxygen Erosion of Polymers

    NASA Technical Reports Server (NTRS)

    deGroh, Kim K.; Banks, Bruce A.; Clark, Gregory W.; Hammerstrom, Anne M.; Youngstrom, Erica E.; Kaminski, Carolyn; Fine, Elizabeth S.; Marx, Laura M.

    2001-01-01

    Polymers such as polyimide Kapton and Teflon FEP (fluorinated ethylene propylene) are commonly used spacecraft materials due to their desirable properties such as flexibility, low density, and in the case of FEP low solar absorptance and high thermal emittance. Polymers on the exterior of spacecraft in the low Earth orbit (LEO) environment are exposed to energetic atomic oxygen. Atomic oxygen erosion of polymers occurs in LEO and is a threat to spacecraft durability. It is therefore important to understand the atomic oxygen erosion yield (E, the volume loss per incident oxygen atom) of polymers being considered in spacecraft design. Because long-term space exposure data is rare and very costly, short-term exposures such as on the shuttle are often relied upon for atomic oxygen erosion determination. The most common technique for determining E is through mass loss measurements. For limited duration exposure experiments, such as shuttle experiments, the atomic oxygen fluence is often so small that mass loss measurements can not produce acceptable uncertainties. Therefore, a recession measurement technique has been developed using selective protection of polymer samples, combined with postflight atomic force microscopy (AFM) analysis, to obtain accurate erosion yields of polymers exposed to low atomic oxygen fluences. This paper discusses the procedures used for this recession depth technique along with relevant characterization issues. In particular, a polymer is salt-sprayed prior to flight, then the salt is washed off postflight and AFM is used to determine the erosion depth from the protected plateau. A small sample was salt-sprayed for AFM erosion depth analysis and flown as part of the Limited Duration Candidate Exposure (LDCE-4,-5) shuttle flight experiment on STS-51. This sample was used to study issues such as use of contact versus non-contact mode imaging for determining recession depth measurements. Error analyses were conducted and the percent probable

  6. Isolated Pt Atoms Stabilized by Amorphous Tungstenic Acid for Metal-Support Synergistic Oxygen Activation.

    PubMed

    Zhang, Qian; Qin, Xixi; Duanmu, Fanpeng; Ji, Huiming; Shen, Zhurui; Han, Xiaopeng; Hu, Wenbin

    2018-06-05

    Oxygen activation plays a crucial role in many important chemical reactions such as organics oxidation and oxygen reduction. For developing highly active materials for oxygen activation, herein, we report an atomically dispersed Pt on WO3 nanoplates stabilized by in-situ formed amorphous H2WO4 out-layer and the mechanism for activating molecular oxygen. Experimental and theoretical studies demonstrate that the isolated Pt atoms coordinated with oxygen atoms from [WO6] and water of H2WO4, consequently leading to optimized surface electronic configuration and strong metal support interaction (SMSI). In exemplified reactions of butanone oxidation sensing and oxygen reduction, the atomic Pt/WO3 hybrid exhibits superior activity than those of Pt nanoclusters/WO3 and bare WO3 as well as enhanced long-term durability. This work will provide insight on the origin of activity and stability for atomically dispersed materials, thus promoting the development of highly efficient and durable single atom-based catalysts. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. The effect of leveling coatings on the atomic oxygen durability of solar concentrator surfaces

    NASA Technical Reports Server (NTRS)

    Degroh, Kim K.; Dever, Therese M.; Quinn, William F.

    1990-01-01

    Space power systems for Space Station Freedom will be exposed to the harsh environment of low earth orbit (LEO). Neutral atomic oxygen is the major constituent in LEO and has the potential of severely reducing the efficiency of solar dynamic power systems through degradation of the concentrator surfaces. Several transparent dielectric thin films have been found to provide atomic oxygen protection, but atomic oxygen undercutting at inherent defect sites is still a threat to solar dynamic power system survivability. Leveling coatings smooth microscopically rough surfaces, thus eliminating potential defect sites prone to oxidation attack on concentrator surfaces. The ability of leveling coatings to improve the atomic oxygen durability of concentrator surfaces was investigated. The application of a EPO-TEK 377 epoxy leveling coating on a graphite epoxy substrate resulted in an increase in solar specular reflectance, a decrease in the atomic oxygen defect density by an order of magnitude and a corresponding order of magnitude decrease in the percent loss of specular reflectance during atomic oxygen plasma ashing.

  8. Cleaning of Fire Damaged Watercolor and Textiles Using Atomic Oxygen

    NASA Technical Reports Server (NTRS)

    Rutledge, Sharon K.; Banks, Bruce A.; Chichernea, Virgil A.; Haytas, Christy A.

    2000-01-01

    A noncontact technique is described that uses atomic oxygen generated under low pressure in the presence of nitrogen to remove soot from the surface of a test watercolor panel and strips of cotton, wool and silk. The process, which involves surface oxidation, permits control of the amount of surface material removed. The effectiveness of soot removal from test panels of six basic watercolors (alizarin crimson, burnt sienna, lemon yellow, yellow ochre, cerulean blue and ultramarine blue) and strips of colored cotton, wool and silk was measured using reflectance spectroscopy. The atomic oxygen removed soot effectively from the treated areas and enabled partial recovery of charred watercolors. However, overexposure can result in removal of sizing, bleaching, and weakening of the structure. With the proper precautions, atomic oxygen treatment appears to have great potential to salvage heavily smoke damaged artworks which were previously considered unrestorable.

  9. The formation of diethyl ether via the reaction of iodoethane with atomic oxygen on the Ag(110) surface

    NASA Astrophysics Data System (ADS)

    Jones, G. Scott; Barteau, Mark A.; Vohs, John M.

    1999-01-01

    The reactions of iodoethane (ICH 2CH 3) on clean and oxygen-covered Ag(110) surfaces were investigated using temperature-programmed desorption (TPD) and high-resolution electron energy-loss spectroscopy (HREELS). Iodoethane adsorbs dissociatively at 150 K to produce surface ethyl groups on both clean and oxygen-covered Ag(110) surfaces. The ethyl species couple to form butane on both surfaces, with the desorption peak maximum located between 218 and 238 K, depending on the ethyl coverage. In addition to butane, a number of oxidation products including diethyl ether, ethanol, acetaldehyde, surface acetate, ethylene, carbon dioxide and water were formed on the oxygen-dosed Ag(110) surface. Diethyl ether was the major oxygenate produced at all ethyl:oxygen ratios, and the peak temperature for ether evolution varied from 220 to 266 K depending on the relative coverages of these reactants. The total combustion products, CO 2 and H 2O, were primarily formed at low ethyl coverages in the presence of excess oxygen. The formation of ethylene near 240 K probably involves an oxygen-assisted dehydrogenation pathway since ethylene is not formed from ethyl groups on the clean surface. Acetaldehyde and ethanol evolve coincidentally with a peak centered at 270-280 K, and are attributed to the reactions of surface ethoxide species. The surface acetate which decomposes near 620 K is formed from subsequent reactions of acetaldehyde with oxygen atoms. The addition of ethyl to oxygen to form surface ethoxides was verified by HREELS results. The yields of all products exhibited a strong dependence on the relative coverages of ethyl and oxygen.

  10. The adsorption and dissociation of oxygen on Ag (111) supported χ3 borophene

    NASA Astrophysics Data System (ADS)

    Luo, W. W.; Liu, G.; Wang, X.; Lei, X. L.; Ouyang, C. Y.; Liu, S. Q.

    2018-05-01

    The superstructure of χ3 borophene on Ag (111) has recently been synthesized in experiment. In this work, we investigate its structural, electronic properties and the oxidation mechanism through first-principles calculations. We find the superstructure of χ3 borophene on Ag (111) maintain the planar characteristics, like its free-standing form, owing to the weakly interaction between adsorbate and substrate. Moreover, oxygen molecule can be spontaneously adsorbed on its superstructure in a manner of chemical adsorption. Importantly, the energy barrier of ∼0.35 eV for oxygen dissociation indicates its relative stability in ambient conditions compared with the active silicene. Furthermore, the mobility of O2-dissociation-induced O atom is poor at room temperature, implying the difficult migration of O atom on borophene surface. On the other hand, due to the strong Bsbnd O bonding, desorption of O2-dissociation-induced O atoms on superstructure of χ3 borophene becomes impossible, ultimately leading to form the boron oxides.

  11. Two photon excitation of atomic oxygen

    NASA Technical Reports Server (NTRS)

    Pindzola, M. S.

    1977-01-01

    A standard perturbation expansion in the atom-radiation field interaction is used to calculate the two photon excitation cross section for 1s(2) 2s(2) 2p(4) p3 to 1s(2) 2s(2) 2p(3) (s4) 3p p3 transition in atomic oxygen. The summation over bound and continuum intermediate states is handled by solving the equivalent inhomogeneous differential equation. Exact summation results differ by a factor of 2 from a rough estimate obtained by limiting the intermediate state summation to one bound state. Higher order electron correlation effects are also examined.

  12. High performance platinum single atom electrocatalyst for oxygen reduction reaction

    PubMed Central

    Liu, Jing; Jiao, Menggai; Lu, Lanlu; Barkholtz, Heather M.; Li, Yuping; Wang, Ying; Jiang, Luhua; Wu, Zhijian; Liu, Di-jia; Zhuang, Lin; Ma, Chao; Zeng, Jie; Zhang, Bingsen; Su, Dangsheng; Song, Ping; Xing, Wei; Xu, Weilin; Wang, Ying; Jiang, Zheng; Sun, Gongquan

    2017-01-01

    For the large-scale sustainable implementation of polymer electrolyte membrane fuel cells in vehicles, high-performance electrocatalysts with low platinum consumption are desirable for use as cathode material during the oxygen reduction reaction in fuel cells. Here we report a carbon black-supported cost-effective, efficient and durable platinum single-atom electrocatalyst with carbon monoxide/methanol tolerance for the cathodic oxygen reduction reaction. The acidic single-cell with such a catalyst as cathode delivers high performance, with power density up to 680 mW cm−2 at 80 °C with a low platinum loading of 0.09 mgPt cm−2, corresponding to a platinum utilization of 0.13 gPt kW−1 in the fuel cell. Good fuel cell durability is also observed. Theoretical calculations reveal that the main effective sites on such platinum single-atom electrocatalysts are single-pyridinic-nitrogen-atom-anchored single-platinum-atom centres, which are tolerant to carbon monoxide/methanol, but highly active for the oxygen reduction reaction. PMID:28737170

  13. High performance platinum single atom electrocatalyst for oxygen reduction reaction

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Liu, Jing; Jiao, Menggai; Lu, Lanlu

    For the large-scale sustainable implementation of polymer electrolyte membrane fuel cells in vehicles, high-performance electrocatalysts with low platinum consumption are desirable for use as cathode material during the oxygen reduction reaction in fuel cells. Here we report a carbon black-supported cost-effective, efficient and durable platinum single-atom electrocatalyst with carbon monoxide/methanol tolerance for the cathodic oxygen reduction reaction. The acidic single-cell with such a catalyst as cathode delivers high performance, with power density up to 680 mW cm –2 at 80 °C with a low platinum loading of 0.09 mgPt cm –2, corresponding to a platinum utilization of 0.13 gPt kWmore » –1 in the fuel cell. Good fuel cell durability is also observed. As a result, theoretical calculations reveal that the main effective sites on such platinum single-atom electrocatalysts are single-pyridinic-nitrogen-atom-anchored single-platinum-atom centres, which are tolerant to carbon monoxide/methanol, but highly active for the oxygen reduction reaction.« less

  14. High performance platinum single atom electrocatalyst for oxygen reduction reaction

    DOE PAGES

    Liu, Jing; Jiao, Menggai; Lu, Lanlu; ...

    2017-07-24

    For the large-scale sustainable implementation of polymer electrolyte membrane fuel cells in vehicles, high-performance electrocatalysts with low platinum consumption are desirable for use as cathode material during the oxygen reduction reaction in fuel cells. Here we report a carbon black-supported cost-effective, efficient and durable platinum single-atom electrocatalyst with carbon monoxide/methanol tolerance for the cathodic oxygen reduction reaction. The acidic single-cell with such a catalyst as cathode delivers high performance, with power density up to 680 mW cm –2 at 80 °C with a low platinum loading of 0.09 mgPt cm –2, corresponding to a platinum utilization of 0.13 gPt kWmore » –1 in the fuel cell. Good fuel cell durability is also observed. As a result, theoretical calculations reveal that the main effective sites on such platinum single-atom electrocatalysts are single-pyridinic-nitrogen-atom-anchored single-platinum-atom centres, which are tolerant to carbon monoxide/methanol, but highly active for the oxygen reduction reaction.« less

  15. A Comprehensive X-Ray Absorption Model for Atomic Oxygen

    NASA Technical Reports Server (NTRS)

    Gorczyca, T. W.; Bautista, M. A.; Hasoglu, M. F.; Garcia, J.; Gatuzz, E.; Kaastra, J. S.; Kallman, T. R.; Manson, S. T.; Mendoza, C.; Raassen, A. J. J.; hide

    2013-01-01

    An analytical formula is developed to accurately represent the photoabsorption cross section of atomic Oxygen for all energies of interest in X-ray spectral modeling. In the vicinity of the K edge, a Rydberg series expression is used to fit R-matrix results, including important orbital relaxation effects, that accurately predict the absorption oscillator strengths below threshold and merge consistently and continuously to the above-threshold cross section. Further, minor adjustments are made to the threshold energies in order to reliably align the atomic Rydberg resonances after consideration of both experimental and observed line positions. At energies far below or above the K-edge region, the formulation is based on both outer- and inner-shell direct photoionization, including significant shake-up and shake-off processes that result in photoionization-excitation and double-photoionization contributions to the total cross section. The ultimate purpose for developing a definitive model for oxygen absorption is to resolve standing discrepancies between the astronomically observed and laboratory-measured line positions, and between the inferred atomic and molecular oxygen abundances in the interstellar medium from XSTAR and SPEX spectral models.

  16. Atomic Oxygen Durability Evaluation of Protected Polymers Using Thermal Energy Plasma Systems

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.; Rutledge, Sharon K.; Degroh, Kim K.; Stidham, Curtis R.; Gebauer, Linda; Lamoreaux, Cynthia M.

    1995-01-01

    The durability evaluation of protected polymers intended for use in low Earth orbit (LEO) has necessitated the use of large-area, high-fluence, atomic oxygen exposure systems. Two thermal energy atomic oxygen exposure systems which are frequently used for such evaluations are radio frequency (RF) plasma ashers and electron cyclotron resonance plasma sources. Plasma source testing practices such as ample preparation, effective fluence prediction, atomic oxygen flux determination, erosion measurement, operational considerations, and erosion yield measurements are presented. Issues which influence the prediction of in-space durability based on ground laboratory thermal energy plasma system testing are also addressed.

  17. Methane combustion reactivity during the metal→metallic oxide transformation of Pd-Pt catalysts: Effect of oxygen pressure

    NASA Astrophysics Data System (ADS)

    Qi, Wenjie; Ran, Jingyu; Zhang, Zhien; Niu, Juntian; Zhang, Peng; Fu, Lijuan; Hu, Bo; Li, Qilai

    2018-03-01

    Density functional theory combined with kinetic models were used to probe different kinetics consequences by which methane activation on different oxygen chemical potential surfaces as oxygen pressure increased. The metallic oxide → metal transformation temperature of Pd-Pt catalysts increased with the increase of the Pd content or/and O2 pressure. The methane conversion rate on Pt catalyst increased and then decreased to a constant value when increasing the O2 pressure, and Pd catalyst showed a poor activity performance in the case of low O2 pressure. Moreover, its activity increased as the oxygen chemical potential for O2 pressure increased in the range of 2.5-10 KPa. For metal clusters, the Csbnd H bond and Odbnd O bond activation steps occurred predominantly on *-* site pairs. The methane conversion rate was determined by O2 pressure because the adsorbed O atoms were rapidly consumed by other adsorbed species in this kinetic regime. As the O2 pressure increased, the metallic active sites for methane activation were decreased and there was no longer lack of adsorbed O atoms, resulting in the decrease of the methane conversion rate. Furthermore, when the metallic surfaces were completely covered by adsorbed oxygen atoms at higher oxygen chemical potentials, Pt catalyst showed a poor activity due to a high Csbnd H bond activation barrier on O*sbnd O*. In the case of high O2 pressure, Pd atoms preferred to segregate to the active surface of Pd-Pt catalysts, leading to the formation of PdO surfaces. The increase of Pd segregation promoted a subsequent increase in active sites and methane conversion rate. The PdO was much more active than metallic and O* saturated surfaces for methane activation, inferred from the theory and experimental study. Pd-rich bimetallic catalyst (75% molar Pd) showed a dual high methane combustion activity on O2-poor and O2-rich conditions.

  18. Atomic Oxygen Treatment and Its Effect on a Variety of Artist's Media

    NASA Technical Reports Server (NTRS)

    Miller, Sharon K. R.; Banks, Bruce A.; Waters, Deborah L.

    2005-01-01

    Atomic oxygen treatment has been investigated as an unconventional option for art restoration where conventional methods have not been effective. Exposure of surfaces to atomic oxygen was first performed to investigate the durability of materials in the low Earth orbit environment of space. The use of the ground based environmental simulation chambers, developed for atomic oxygen exposure testing, has been investigated in collaboration with conservators at a variety of institutions, as a method to clean the surfaces of works of art. The atomic oxygen treatment technique has been evaluated as a method to remove soot and char from the surface of oil paint (both varnished and unvarnished), watercolors, acrylic paint, and fabric as well as the removal of graffiti and other marks from surfaces which are too porous to lend themselves to conventional solvent removal techniques. This paper will discuss the treatment of these surfaces giving an example of each and a discussion of the treatment results.

  19. Atomic Oxygen Effects on Coated Tether Materials

    NASA Technical Reports Server (NTRS)

    Gittemeier, Keith A.; Hawk, Clark W.; Finckenor, Miria M.; Watts, Ed

    2005-01-01

    The University of Alabama in Huntsville s Propulsion Research Center has teamed with NASA's Marshall Space Flight Center (MSFC) to research the effects of atomic oxygen (AO) bombardment on coated tether materials. Tethers Unlimited Inc. has provided several candidate tether materials with various coatings for (AO) exposure in MSFC's Atomic Oxygen Beam Facility. Additional samples were exposed to ultraviolet (UV) radiation at MSFC. AO erodes most organic materials, and ultraviolet radiation embrittles polymers. This test series was performed to determine the effect of AO and UV on the mechanical integrity of tether materials that were treated with AO-protective coatings, such as Photosil or metallization. Both TUI's Multi-Application Survivable Tether (MAST) Experiment and Marshall Space Flight Center's Momentum Exchange Electrodynamic Reboost (MXER) programs will benefit from this research by helping to determine tether materials and coatings that give the longest life with the lowest mass penalty.

  20. Use of Atomic Oxygen for Increased Water Contact Angles of Various Polymers for Biomedical Applications

    NASA Technical Reports Server (NTRS)

    Beger, Lauren; Roberts, Lily; deGroh, Kim; Banks, Bruce

    2007-01-01

    In the low Earth orbit (LEO) space environment, spacecraft surfaces can be altered during atomic oxygen exposure through oxidation and erosion. There can be terrestrial benefits of such interactions, such as the modification of hydrophobic or hydrophilic properties of polymers due to chemical modification and texturing. Such modification of the surface may be useful for biomedical applications. For example, atomic oxygen texturing may increase the hydrophilicity of polymers, such as chlorotrifluoroethylene (Aclar), thus allowing increased adhesion and spreading of cells on textured Petri dishes. The purpose of this study was to determine the effect of atomic oxygen exposure on the hydrophilicity of nine different polymers. To determine whether hydrophilicity remains static after atomic oxygen exposure or changes with exposure, the contact angles between the polymer and a water droplet placed on the polymer s surface were measured. The polymers were exposed to atomic oxygen in a radio frequency (RF) plasma asher. Atomic oxygen plasma treatment was found to significantly alter the hydrophilicity of non-fluorinated polymers. Significant decreases in the water contact angle occurred with atomic oxygen exposure. Fluorinated polymers were found to be less sensitive to changes in hydrophilicity for equivalent atomic oxygen exposures, and two of the fluorinated polymers became more hydrophobic. The majority of change in water contact angle of the non-fluorinated polymers was found to occur with very low fluence exposures, indicating potential cell culturing benefit with short treatment time.

  1. Atomic oxygen dosimetry measurements made on STS-46 by CONCAP 2

    NASA Technical Reports Server (NTRS)

    Gregory, J. C.; Miller, G. P.; Pettigrew, P. J.; Raikar, G. N.; Cross, Jon B.; Lan, E.; Renschler, C. L.; Sutherland, W. T.

    1995-01-01

    With increasing flight duration and the possibility of a permanent facility in space, long-term monitoring of material degradation due to atomic oxygen is increasing in importance. Reliance on models to determine the fluence of atomic oxygen is not only necessarily complex but also imprecise due to the strong dependence of oxygen concentration on day/night, latitude and solar activity. Mass-spectroscopy, the traditional method for determining the gas phase species densities at low pressure, is not only expensive but is limited in the area that it can monitor. Our group has developed a simple and inexpensive dosimeter to measure the atomic oxygen fluence via the change in resistance as the sensor element is gradually oxidized. The sensors consisted of thin-film circuit elements deposited on a suitable substrate. Four-point resistance measurements were used to monitor the change in resistance. Results obtained using silver and carbon dosimeters flown on STS-46 (CONCAP 2-01) will be discussed.

  2. Defect engineering in atomically-thin bismuth oxychloride towards photocatalytic oxygen evolution

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Di, Jun; Chen, Chao; Yang, Shi -Ze

    Photocatalytic solar energy conversion is a clean technology for producing renewable energy sources, but its efficiency is greatly hindered by the kinetically sluggish oxygen evolution reaction. Herein, confined defects in atomically-thin BiOCl nanosheets were created to serve as a remarkable platform to explore the relationship between defects and photocatalytic activity. Surface defects can be clearly observed on atomically-thin BiOCl nanosheets from scanning transmission electron microscopy images. Theoretical/experimental results suggest that defect engineering increased states of density and narrowed the band gap. With combined effects from defect induced shortened hole migratory paths and creation of coordination-unsaturated active atoms with dangling bonds,more » defect-rich BiOCl nanosheets displayed 3 and 8 times higher photocatalytic activity towards oxygen evolution compared with atomically-thin BiOCl nanosheets and bulk BiOCl, respectively. As a result, this successful application of defect engineering will pave a new pathway for improving photocatalytic oxygen evolution activity of other materials.« less

  3. Defect engineering in atomically-thin bismuth oxychloride towards photocatalytic oxygen evolution

    DOE PAGES

    Di, Jun; Chen, Chao; Yang, Shi -Ze; ...

    2017-06-26

    Photocatalytic solar energy conversion is a clean technology for producing renewable energy sources, but its efficiency is greatly hindered by the kinetically sluggish oxygen evolution reaction. Herein, confined defects in atomically-thin BiOCl nanosheets were created to serve as a remarkable platform to explore the relationship between defects and photocatalytic activity. Surface defects can be clearly observed on atomically-thin BiOCl nanosheets from scanning transmission electron microscopy images. Theoretical/experimental results suggest that defect engineering increased states of density and narrowed the band gap. With combined effects from defect induced shortened hole migratory paths and creation of coordination-unsaturated active atoms with dangling bonds,more » defect-rich BiOCl nanosheets displayed 3 and 8 times higher photocatalytic activity towards oxygen evolution compared with atomically-thin BiOCl nanosheets and bulk BiOCl, respectively. As a result, this successful application of defect engineering will pave a new pathway for improving photocatalytic oxygen evolution activity of other materials.« less

  4. TOPICAL REVIEW: Quasielastic He atom scattering from surfaces: a stochastic description of the dynamics of interacting adsorbates

    NASA Astrophysics Data System (ADS)

    Martínez-Casado, R.; Vega, J. L.; Sanz, A. S.; Miret-Artés, S.

    2007-08-01

    The study of diffusion and low-frequency vibrational motions of particles on metal surfaces is of paramount importance; it provides valuable information on the nature of the adsorbate-substrate and substrate-substrate interactions. In particular, the experimental broadening observed in the diffusive peak with increasing coverage is usually interpreted in terms of a dipole-dipole-like interaction among adsorbates via extensive molecular dynamics calculations within the Langevin framework. Here we present an alternative way to interpret this broadening by means of a purely stochastic description, namely the interacting single-adsorbate approximation, where two noise sources are considered: (1) a Gaussian white noise accounting for the surface friction and temperature, and (2) a white shot noise replacing the interaction potential between adsorbates. Standard Langevin numerical simulations for flat and corrugated surfaces (with a separable potential) illustrate the dynamics of Na atoms on a Cu(100) surface which fit fairly well to the analytical expressions issued from simple models (free particle and anharmonic oscillator) when the Gaussian approximation is assumed. A similar broadening is also expected for the frustrated translational mode peaks.

  5. Development of a Supersonic Atomic Oxygen Nozzle Beam Source for Crossed Beam Scattering Experiments

    DOE R&D Accomplishments Database

    Sibener, S. J.; Buss, R. J.; Lee, Y. T.

    1978-05-01

    A high pressure, supersonic, radio frequency discharge nozzle beam source was developed for the production of intense beams of ground state oxygen atoms. An efficient impedance matching scheme was devised for coupling the radio frequency power to the plasma as a function of both gas pressure and composition. Techniques for localizing the discharge directly behind the orifice of a water-cooled quartz nozzle were also developed. The above combine to yield an atomic oxygen beam source which produces high molecular dissociation in oxygen seeded rare gas mixtures at total pressures up to 200 torr: 80 to 90% dissociation for oxygen/argon mixtures and 60 to 70% for oxygen/helium mixtures. Atomic oxygen intensities are found to be greater than 10{sup 17} atom sr{sup -1} sec{sup -1}. A brief discussion of the reaction dynamics of 0 + IC1 ..-->.. I0 + C1 is also presented.

  6. Low Earth orbital atomic oxygen micrometeoroid, and debris interactions with photovoltaic arrays

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.; Rutledge, Sharon K.; Degroh, Kim K.

    1991-01-01

    Polyimide Kapton solar array blankets can be protected from atomic oxygen in low earth orbit if SiO sub x thin film coatings are applied to their surfaces. The useful lifetime of a blanket protected in this manner strongly depends on the number and size of defects in the protective coatings. Atomic oxygen degradation is dominated by undercutting at defects in protective coatings caused by substrate roughness and processing rather than micrometeoroid or debris impacts. Recent findings from the Long Duration Exposure Facility (LDEF) and ground based studies show that interactions between atomic oxygen and silicones may cause grazing and contamination problems which may lead to solar array degradation.

  7. Large-Area Atomic Oxygen Facility Used to Clean Fire-Damaged Artwork

    NASA Technical Reports Server (NTRS)

    Rutledge, Sharon K.; Banks, Bruce A.; Steuber, Thomas J.; Sechkar, Edward A.

    2000-01-01

    In addition to completely destroying artwork, fires in museums and public buildings can soil a displayed artwork with so much accumulated soot that it can no longer be used for study or be enjoyed by the public. In situations where the surface has not undergone extensive charring or melting, restoration can be attempted. However, soot deposits can be very difficult to remove from some types of painted surfaces, particularly when the paint is fragile or flaking or when the top surface of the paint binder has been damaged. Restoration typically involves the use of organic solvents to clean the surface, but these solvents may cause the paint layers to swell or leach out. Also, immersion of the surface or swabbing during solvent cleaning may move or remove pigment through mechanical contact, especially if the fire damage extends into the paint binder. A noncontact technique of removing organic deposits from surfaces was developed out of NASA research on the effects of oxygen atoms on various materials. Atomic oxygen is present in the atmosphere surrounding the Earth at the altitudes where satellites typically orbit. It can react chemically with surface coatings or deposits that contain carbon. In the reaction, the carbon is converted to carbon monoxide and some carbon dioxide. Water vapor is also a byproduct of the reaction if the surface contains carbon-hydrogen bonds. To study this reaction, NASA developed Earth-based facilities to produce atomic oxygen for material exposure and testing. A vacuum facility designed and built by the Electro-Physics Branch of the NASA Glenn Research Center at Lewis Field to provide atomic oxygen over a large area for studying reactions in low Earth orbit has been used to successfully clean several full-size paintings. (This facility can accommodate paintings up to 1.5 by 2.1 m. The atomic oxygen plasma is produced between two large parallel aluminum plates using a radiofrequency power source operating at roughly 400 W. Atomic oxygen is

  8. The Effect of Low Earth Orbit Atomic Oxygen Exposure on Phenylphosphine Oxide-Containing Polymers

    NASA Technical Reports Server (NTRS)

    Connell, John W.

    2000-01-01

    Thin films of phenylphosphine oxide-containing polymers were exposed to low Earth orbit aboard a space shuttle flight (STS-85) as part of flight experiment designated Evaluation of Space Environment and Effects on Materials (ESEM). This flight experiment was a cooperative effort between the NASA Langley Research Center (LaRC) and the National Space Development Agency of Japan (NASDA). The thin film samples described herein were part of an atomic oxygen exposure experiment (AOE) and were exposed to primarily atomic oxygen (1 X 1019 atoms/cm2). The thin film samples consisted of three phosphine oxide containing polymers (arylene ether, benzimidazole and imide). Based on post-flight analyses using atomic force microscopy, X-ray photoelectron spectroscopy, and weight loss data, it was found that atomic oxygen exposure of these materials efficiently produces a phosphate layer at the surface of the samples. This layer provides a barrier towards further attack by AO. Consequently, these materials do not exhibit linear erosion rates which is in contrast with most organic polymers. Qualitatively, the results obtained from these analyses compare favorably with those obtained from samples exposed to atomic oxygen and or oxygen plasma in ground based exposure experiments. The results of the low Earth orbit atomic oxygen exposure on these materials will be compared with those of ground based exposure to AO.

  9. Atomic Oxygen Interactions With Silicone Contamination on Spacecraft in Low Earth Orbit Studied

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.

    2001-01-01

    Silicones have been widely used on spacecraft as potting compounds, adhesives, seals, gaskets, hydrophobic surfaces, and atomic oxygen protective coatings. Contamination of optical and thermal control surfaces on spacecraft in low Earth orbit (LEO) has been an ever-present problem as a result of the interaction of atomic oxygen with volatile species from silicones and hydrocarbons onboard spacecraft. These interactions can deposit a contaminant that is a risk to spacecraft performance because it can form an optically absorbing film on the surfaces of Sun sensors, star trackers, or optical components or can increase the solar absorptance of thermal control surfaces. The transmittance, absorptance, and reflectance of such contaminant films seem to vary widely from very transparent SiOx films to much more absorbing SiOx-based films that contain hydrocarbons. At the NASA Glenn Research Center, silicone contamination that was oxidized by atomic oxygen has been examined from LEO spacecraft (including the Long Duration Exposure Facility and the Mir space station solar arrays) and from ground laboratory LEO simulations. The findings resulted in the development of predictive models that may help explain the underlying issues and effects. Atomic oxygen interactions with silicone volatiles and mixtures of silicone and hydrocarbon volatiles produce glassy SiOx-based contaminant coatings. The addition of hydrocarbon volatiles in the presence of silicone volatiles appears to cause much more absorbing (and consequently less transmitting) contaminant films than when no hydrocarbon volatiles are present. On the basis of the LDEF and Mir results, conditions of high atomic oxygen flux relative to low contaminant flux appear to result in more transparent contaminant films than do conditions of low atomic oxygen flux with high contaminant flux. Modeling predictions indicate that the deposition of contaminant films early in a LEO flight should depend much more on atomic oxygen flux than

  10. Low Earth orbital atomic oxygen and ultraviolet radiation effects on polymers

    NASA Technical Reports Server (NTRS)

    Dever, Joyce A.

    1991-01-01

    Because atomic oxygen and solar ultraviolet radiation present in the low earth orbital (LEO) environment can alter the chemistry of polymers resulting in degradation, their effects and mechanisms of degradation must be determined in order to determine the long term durability of polymeric surfaces to be exposed on missions such as Space Station Freedom. The effects of atomic oxygen on polymers which contain protective coatings must also be explored, since unique damage mechanisms can occur in areas where the protective coatings has failed. Mechanisms can be determined by utilizing results from previous LEO missions, by performing ground based LEO simulation tests and analysis, and by carrying out focussed space experiments. A survey is presented of the interactions and possible damage mechanisms for environmental atomic oxygen and UV radiation exposure of polymers commonly used in LEO.

  11. Comment on "Theoretical study of the dynamics of atomic hydrogen adsorbed on graphene multilayers"

    NASA Astrophysics Data System (ADS)

    Bonfanti, Matteo; Martinazzo, Rocco

    2018-03-01

    It is shown that the theoretical prediction of a transient magnetization in bilayer and multilayer graphene (M. Moaied et al., Phys. Rev. B 91, 155419 (2015), 10.1103/PhysRevB.91.155419) relies on an incorrect physical scenario for adsorption, namely, one in which H atoms adsorb barrierless on graphitic substrates and form a random adsorption pattern of monomers. Rather, according to experimental evidence, H atom sticking is an activated process, and adsorption is under kinetic control, largely ruled by a preferential sticking mechanism that leads to stable, nonmagnetic dimers at all but the smallest coverages (<0.004 ). Theory and experiments are reconciled by reconsidering the hydrogen atom adsorption energetics with the help of van der Waals-inclusive density functional calculations that properly account for the basis set superposition error. It is shown that today van der Waals-density functional theory predicts a shallow physisorption well that nicely agrees with available experimental data and suggests that the hydrogen atom adsorption barrier in graphene is 180 meV high, within ˜5 meV accuracy.

  12. Alternative Method for the Thermospheric Atomic Oxygen Density Determination

    NASA Technical Reports Server (NTRS)

    Bennett, A. C.; Omidvar, K.; Atlas, Robert (Technical Monitor)

    2001-01-01

    Atomic oxygen density in the upper thermosphere (approximately 300 km) can be calculated using ground based incoherent scatter radar and Fabry-Perot interferometer measurements. Burnside et al. was the first to try this method, but Buonsanto et al. provided an extensive treatment of the method in 1997. This paper further examines the method using 46 nights of data collected over six years and the latest information on the oxygen collision frequency. The method is compared with the MSIS (Mass Spectrometer Incoherent Scatter)-86 atomic oxygen prediction values, which are based upon in situ rocket born and satellite measurements from the 70s to the mid-80s. In general, the method supports the MSIS-86 model, but indicates several areas of discrepancy. Furthermore, no direct correlation is found between the geomagnetic conditions and the difference between the method and MSIS-86 predictions.

  13. Protocol for Atomic Oxygen Testing of Materials in Ground-Based Facilities. No. 2

    NASA Technical Reports Server (NTRS)

    Minton, Timothy K.

    1995-01-01

    A second version of standard guidelines is proposed for improving materials testing in ground-based atomic oxygen environments for the purpose of predicting the durability of the tested materials in low Earth orbit (LEO). Accompanying these guidelines are background information and notes about testing. Both the guidelines and the additional information are intended to aid users who wish to evaluate the potential hazard of atomic oxygen in LEO to a candidate space component without actually flying the component in space, and to provide a framework for more consistent atomic oxygen testing in the future.

  14. Electron stimulated desorption of atomic oxygen from silver

    NASA Technical Reports Server (NTRS)

    Outlaw, R. A.; Peregoy, W. K.; Hoflund, Gar B.; Corallo, Gregory R.

    1987-01-01

    The electron stimulated desorption (ESD) of neutral oxygen atoms from polycrystalline silver and of oxygen ions from Ag(110) has been studied. Polycrystalline Ag charged with (16)O2 and (18)O2 and bombarded by low-energy electrons (approx 100 eV) under ultrahigh vacuum (UHV) conditions emitted O atom flux levels of 1 x 10 to the 12th power/sq cm/s at a Ag temperature of 300 C. The flux was detected with a quadrupole mass spectrometer operating in the appearance potential mode. The neutral cross section at about 100 C was determined to be 7 x 10 to the -19 sq cm. Ancillary experiments conducted in a UHV chamber equipped with a cylindrical mirror analyzer and rigged for ion energy distribution and ion angular distribution were used to study O ions desorbed from Ag(110). Two primary O(+) energies of 2.4 and 5.4 eV were detected from the Ag(110) after having been dosed with 2500 L of (16)O2. It also appears that in both experiments there was strong evidence for directionality of the emitted flux. The results of this study serve as a proof of concept for the development of a laboratory atomic oxygen beam generator that simulates the gas flux environment experienced by orbiting vehicles.

  15. Influence of Atomic Oxygen Exposure on Friction Behavior of 321 Stainless Steel

    NASA Astrophysics Data System (ADS)

    Liu, Y.; Yang, J.; Ye, Z.; Dong, S.; Zhang, L.; Zhang, Z.

    Atomic oxygen (AO) exposure testing has been conducted on a 321 stainless steel rolled 1 mm thick sheet to simulate the effect of AO environment on steel in low Earth orbit (LEO). An atomic oxygen exposure facility was employed to carry out AO experiments with the fluence up to ~1021 atom/cm2. The AO exposed specimens were evaluated in air at room temperature using a nanoindenter and a tribological system. The exposed surfaces were analyzed usign XPS technique.

  16. Density functional theory calculations on transition metal atoms adsorbed on graphene monolayers

    NASA Astrophysics Data System (ADS)

    Dimakis, Nicholas; Flor, Fernando Antonio; Salgado, Andres; Adjibi, Kolade; Vargas, Sarah; Saenz, Justin

    2017-11-01

    Transition metal atom adsorption on graphene monolayers has been elucidated using periodic density functional theory under hybrid and generalized gradient approximation functionals. More specifically, we examined the adsorption of Cu, Fe, Zn, Ru, and Os on graphene monolayers by calculating, among others, the electronic density-of-states spectra of the adatom-graphene system and the overlap populations of the adatom with the nearest adsorbing graphene carbon atoms. These calculations reveal that Cu form primarily covalent bonds with graphene atoms via strong hybridization between the adatom orbitals and the sp band of the graphene substrate, whereas the interaction of the Ru and Os with graphene also contain ionic parts. Although the interaction of Fe with graphene atoms is mostly covalent, some charge transfer to graphene is also observed. The interaction of Zn with graphene is weak. Mulliken population analysis and charge contour maps are used to elucidate charge transfers between the adatom and the substrate. The adsorption strength is correlated with the metal adsorption energy and the height of the metal adatom from the graphene plane for the geometrically optimized adatom-graphene system. Our analysis shows that show that metal adsorption strength follows the adatom trend Ru ≈ Os > Fe > Cu > Zn, as verified by corresponding changes in the adsorption energies. The increased metal-carbon orbital overlap for the Ru relative to Os adatom is attributed to hybridization defects.

  17. Ground-Laboratory to In-Space Atomic Oxygen Correlation for the PEACE Polymers

    NASA Astrophysics Data System (ADS)

    Stambler, Arielle H.; Inoshita, Karen E.; Roberts, Lily M.; Barbagallo, Claire E.; de Groh, Kim K.; Banks, Bruce A.

    2009-01-01

    The Materials International Space Station Experiment 2 (MISSE 2) Polymer Erosion and Contamination Experiment (PEACE) polymers were exposed to the environment of low Earth orbit (LEO) for 3.95 years from 2001 to 2005. There were forty-one different PEACE polymers, which were flown on the exterior of the International Space Station (ISS) in order to determine their atomic oxygen erosion yields. In LEO, atomic oxygen is an environmental durability threat, particularly for long duration mission exposures. Although space flight experiments, such as the MISSE 2 PEACE experiment, are ideal for determining LEO environmental durability of spacecraft materials, ground-laboratory testing is often relied upon for durability evaluation and prediction. Unfortunately, significant differences exist between LEO atomic oxygen exposure and atomic oxygen exposure in ground-laboratory facilities. These differences include variations in species, energies, thermal exposures and radiation exposures, all of which may result in different reactions and erosion rates. In an effort to improve the accuracy of ground-based durability testing, ground-laboratory to in-space atomic oxygen correlation experiments have been conducted. In these tests, the atomic oxygen erosion yields of the PEACE polymers were determined relative to Kapton H using a radio-frequency (RF) plasma asher (operated on air). The asher erosion yields were compared to the MISSE 2 PEACE erosion yields to determine the correlation between erosion rates in the two environments. This paper provides a summary of the MISSE 2 PEACE experiment; it reviews the specific polymers tested as well as the techniques used to determine erosion yield in the asher, and it provides a correlation between the space and ground-laboratory erosion yield values. Using the PEACE polymers' asher to in-space erosion yield ratios will allow more accurate in-space materials performance predictions to be made based on plasma asher durability evaluation.

  18. Atomic oxygen effects measurements for shuttle missions STS-8 and 41-G

    NASA Technical Reports Server (NTRS)

    Visentine, James T. (Compiler)

    1988-01-01

    The effects of the atomic oxygen interactions upon optical coatings, thin metallized films, and advanced spacecraft materials, such as high temperature coatings for infrared optical systems are summarized. Also included is a description of a generic model proposed by JPL, which may explain the atomic oxygen interaction mechanisms that lead to surface recession and weight loss.

  19. Photodecomposition of Mo(CO)/sub 6/ adsorbed on Si(100)

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Creighton, J.R.

    1986-01-15

    The photochemical properties of Mo(CO)/sub 6/ adsorbed on Si(100) were investigated using temperature programmed desorption (TPD) and Auger spectroscopy. TPD experiments indicate that Mo(CO)/sub 6/ physisorbs on silicon and desorbs at 210--230 K. At 150 K, KrF laser radiation (248 nm) partially decomposes the adsorbed Mo(CO)/sub 6/ releasing gas-phase CO in the process and TPD experiments after irradiation show that additional CO desorbs at 335 K. However, Auger analysis indicates that one CO molecule per molybdenum atom dissociates, leaving the molybdenum overlayer heavily contaminated with carbon and oxygen. The cross section for photodecomposition was measured to be 5 +- 3more » x 10/sup -17/ cm/sup 2/. Decomposition of the excited molecule must compete strongly with energy relaxation to account for the magnitude of this cross section.« less

  20. Crown oxygen-doping graphene with embedded main-group metal atoms

    NASA Astrophysics Data System (ADS)

    Wu, Liyuan; Wang, Qian; Yang, Chuanghua; Quhe, Ruge; Guan, Pengfei; Lu, Pengfei

    2018-02-01

    Different main-group metal atoms embedded in crown oxygen-doping graphene (metal@OG) systems are studied by the density functional theory. The binding energies and electronic structures are calculated by using first-principles calculations. The binding energy of metal@OG system mainly depends on the electronegativity of the metal atom. The lower the value of the electronegativity, the larger the binding energy, indicating the more stable the system. The electronic structure of metal@OG arouses the emergence of bandgap and shift of Dirac point. It is shown that interaction between metal atom and crown oxygen-doping graphene leads to the graphene's stable n-doping, and the metal@OG systems are stable semiconducting materials, which can be used in technological applications.

  1. Effect of reactor loading on atomic oxygen concentration as measured by NO chemiluminescence

    NASA Technical Reports Server (NTRS)

    Lerner, N. R.

    1989-01-01

    It has previously been observed that the etch rate of polyethylene samples in the afterglow of an RF discharge in oxygen increases with reactor loading. This enhancement of the etch rate is attributed to reactive gas phase products of the polymer etching. In the present work, emission spectroscopy is employed to examine the species present in the gas phase during etching of polyethylene. In particular, the concentration of atomic oxygen downstream from the polyethylene samples is studied as a function of the reactor loading. It is found that the concentration of atomic oxygen increases as the reactor loading is increased. The increase of etch rate with increased reactor loading is attributed to the increase of atomic oxygen concentration in the vicinity of the sample.

  2. Atomic oxygen effects on metals

    NASA Technical Reports Server (NTRS)

    Fromhold, Albert T.

    1987-01-01

    The effect of specimen geometry on the attack of metals by atomic oxygen is addressed. This is done by extending the coupled-currents approach in metal oxidation to spherical and cylindrical geometries. Kinetic laws are derived for the rates of oxidation of samples having these geometries. It is found that the burn-up time for spherical particles of a given diameter can be as much as a factor of 3 shorter than the time required to completely oxidize a planar sample of the same thickness.

  3. In-space technology development: Atomic oxygen and orbital debris effects

    NASA Technical Reports Server (NTRS)

    Visentine, James T.; Potter, Andrew E., Jr.

    1989-01-01

    Earlier Shuttle flight experiments have shown atomic oxygen within the orbital environment can interact with many materials to produce surface recession and mass loss and combine catalytically with other constituents to generate visible and infrared glows. In addition to these effects, examinations of returned satellite hardware have shown many spacecraft materials are also susceptible to damage from high velocity impacts with orbital space debris. These effects are of particular concern for large, multi-mission spacecraft, such as Space Station and SDI operational satellites, that will operate in low-Earth orbit (LEO) during the late 1990's. Not only must these spacecraft include materials and exterior coatings that are resistant to atomic oxygen surface interactions, but these materials must also provide adequate protection against erosion and pitting that could result from numerous impacts with small particles (less than 100 microns) of orbital space debris. An overview of these concerns is presented, and activities now underway to develop materials and coatings are outlined that will provide adequate atomic protection for future spacecraft. The report also discusses atomic oxygen and orbital debris flight experiments now under development to expand our limited data base, correlate ground-based measurments with flight results, and develop an orbital debris collision warning system for use by future spacecraft.

  4. Mesoporous Silica Nanoparticles as an Adsorbent for Preconcentration and Determination of Trace Amount of Nickel in Environmental Samples by Atom Trap Flame Atomic Absorption Spectrometry

    NASA Astrophysics Data System (ADS)

    Shirkhanloo, H.; Falahnejad, M.; Zavvar Mousavi, H.

    2016-01-01

    A rapid enrichment method based on solid-phase extraction (SPE) has been established for preconcentration and separation of trace Ni(II) ions in water samples prior to their determination by atom trap flame atomic absorption spectrometry. A column filled with bulky NH2-UVM7 was used as the novel adsorbent. Under optimal conditions, the linear range, limit of detection (LOD), and preconcentration factor (PF) were 3-92 μg/L, 0.8 μg/L, and 100, respectively. The validity of the method was checked by the standard reference material.

  5. New Active Optical Technique Developed for Measuring Low-Earth-Orbit Atomic Oxygen Erosion of Polymers

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.; deGroh, Kim K.; Demko, Rikako

    2003-01-01

    Polymers such as polyimide Kapton (DuPont) and Teflon FEP (DuPont, fluorinated ethylene propylene) are commonly used spacecraft materials because of desirable properties such as flexibility, low density, and in the case of FEP, a low solar absorptance and high thermal emittance. Polymers on the exterior of spacecraft in the low-Earth-orbit (LEO) environment are exposed to energetic atomic oxygen. Atomic oxygen reaction with polymers causes erosion, which is a threat to spacecraft performance and durability. It is, therefore, important to understand the atomic oxygen erosion yield E (the volume loss per incident oxygen atom) of polymers being considered in spacecraft design. The most common technique for determining E is a passive technique based on mass-loss measurements of samples exposed to LEO atomic oxygen during a space flight experiment. There are certain disadvantages to this technique. First, because it is passive, data are not obtained until after the flight is completed. Also, obtaining the preflight and postflight mass measurements is complicated by the fact that many polymers absorb water and, therefore, the mass change due to water absorption can affect the E data. This is particularly true for experiments that receive low atomic oxygen exposures or for samples that have a very low E. An active atomic oxygen erosion technique based on optical measurements has been developed that has certain advantages over the mass-loss technique. This in situ technique can simultaneously provide the erosion yield data on orbit and the atomic oxygen exposure fluence, which is needed for erosion yield determination. In the optical technique, either sunlight or artificial light can be used to measure the erosion of semitransparent or opaque polymers as a result of atomic oxygen attack. The technique is simple and adaptable to a rather wide range of polymers, providing that they have a sufficiently high optical absorption coefficient. If one covers a photodiode with a

  6. Electrochemical oxygen reduction behavior of selectively deposited platinum atoms on gold nanoparticles.

    PubMed

    Sarkar, A; Kerr, J B; Cairns, E J

    2013-07-22

    Carbon-supported Pt@Au "core-shell" nanoparticles with varying surface concentration of platinum atoms have been synthesized using a novel redox-mediated synthesis approach. The synthesis technique allows for a selective deposition of platinum atoms on the surface of prefabricated gold nanoparticles. Energy dispersive spectroscopic analyses in a scanning electron microscope reveal that the platinum to gold atomic ratios are close to the nominal values, validating the synthesis scheme. X-ray diffraction data indicate an un-alloyed structure. The platinum to gold surface atomic ratio determined from cyclic voltammetry and copper under-potential deposition experiments reveal good agreement with the calculated values at low platinum concentration. However, there is an increase in non-uniformity in the deposition process upon increasing the platinum concentration. Koutecky-Levich analysis of the samples indicates a transition of the total number of electrons transferred (n) in the electrochemical oxygen reduction reaction from two to four electrons upon increasing the surface concentration of platinum atoms. Furthermore, the data indicate that isolated platinum atoms can reduce molecular oxygen but via a two-electron route. Moreover, successful four-electron reduction of molecular oxygen requires clusters of platinum atoms. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. K-shell auger decay of atomic oxygen

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Stolte, W.C.; Lu, Y.; Samson, J.A.R.

    1997-04-01

    The aim of the present research is to understand the interaction between the ejected photoelectron and Auger electron produced by the Auger decay of a 1s hole in atomic oxygen, and to understand the influence this interaction has on the shape of the ionization cross sections. To accomplish this the authors have measured the relative ion yields (ion/photon) in the vicinity of the oxygen K-shell (525 - 533 eV) for O{sup +} and O{sup 2+}. The measurements were performed at the ALS on beamline, 6.3.2. The atomic oxygen was produced by passing molecular oxygen through a microwave-driven discharge. A Rydbergmore » analysis of the two series leading to the [1s]2s{sup 2}2p{sup 4}({sup 4}P) and [1s]2s{sup 2}2p{sup 4}({sup 2}P) limits were obtained. This analysis shows some differences to the recently published results by Menzel et al. The energy position of the main 1s{sup 1}2s{sup 2}2p{sup 5}({sup 3}P) resonance differs by approximately 1 eV from the authors value, all members of the ({sup 2}P)np series differ by 0.3 eV, but the members of the ({sup 4}P)np series agree. The molecular resonance at 530.5 eV and those between 539 eV and 543 eV, measured with the microwave discharge off show identical results in both experiments.« less

  8. Determination of Ground-Laboratory to In-Space Effective Atomic Oxygen Fluence for DC 93?500 Silicone

    NASA Technical Reports Server (NTRS)

    deGroh, Kim K.; Banks, Bruce A.; Ma, David

    2004-01-01

    The objective of this research was to calibrate the ground-to-space effective atomic oxygen fluence for DC 93-500 silicone in a thermal energy electron cyclotron resonance (ECR) oxygen plasma facility. Silicones, commonly used spacecraft materials, do not chemically erode with atomic oxygen attack like other organic materials but form an oxidized hardened silicate surface layer. Therefore, the effective atomic oxygen fluence in a ground test facility should not be determined based on mass loss measurements, as they are with organic polymers. A technique has been developed at the Glenn Research Center to determine the equivalent amount of atomic oxygen exposure in an ECR ground test facility to produce the same degree of atomic oxygen damage as in space. The approach used was to compare changes in the surface hardness of ground test (ECR) exposed DC 93-500 silicone with DC 93-500 exposed to low Earth orbit (LEO) atomic oxygen as part of a shuttle flight experiment. The ground to in-space effective atomic oxygen fluence correlation was determined based on the fluence in the ECR source that produced the same hardness for the fluence in-space. Nanomechanical hardness versus contact depth measurements were obtained for five ECR exposed DC 93-500 samples (ECR exposed for 18 to 40 hrs, corresponding to Kapton effective fluences of 4.2 x 10(exp 20) to 9.4 x 10(exp 20) atoms/sq cm, respectively) and for space exposed DC 93-500 from the Evaluation of Oxygen Interactions with Materials III (EOIM III) shuttle flight experiment, exposed to LEO atomic oxygen for 2.3 x 10(exp 20) atoms/sq cm. Pristine controls were also evaluated. A ground-to-space correlation value was determined based on correlation values for four contact depths (150, 200, 250, and 300 nm), which represent the near surface depth data. The results indicate that the Kapton effective atomic oxygen fluence in the ECR facility needs to be 2.64 times higher than in LEO to replicate equivalent exposure damage in the

  9. Degradation of Staphylococcus aureus bacteria by neutral oxygen atoms

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Cvelbar, U.; Mozetic, M.; Hauptman, N.

    2009-11-15

    The degradation of Staphylococcus aureus bacteria during treatment with neutral oxygen atoms was monitored by scanning electron microscopy. Experiments were performed in an afterglow chamber made from borosilicate glass. The source of oxygen atoms was remote inductively coupled radiofrequency oxygen plasma. The density of atoms at the samples was 8x10{sup 20} m{sup -3}. The treatment was performed at room temperature. The first effect was the removal of dried capsule. Capsule on exposed parts of bacteria was removed after receiving the dose of 6x10{sup 23} at./m{sup 2}, while the parts of capsule filling the gaps between bacteria were removed after receivingmore » the dose of 2.4x10{sup 24} m{sup -2}. After removing the capsule, degradation continued as etching of bacterial cell wall. The etching was rather nonuniform as holes with diameter of several 10 nm were observed. The cell wall was removed after receiving the dose of about 7x10{sup 24} m{sup -2}. The etching probabilities were about 2x10{sup -5} for the capsule and 2x10{sup -6} for the cell wall. The results were explained by different compositions of capsule and the cell wall.« less

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

    NASA Technical Reports Server (NTRS)

    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

  11. Durability Issues for the Protection of Materials from Atomic Oxygen Attack in Low Earth Orbit

    NASA Technical Reports Server (NTRS)

    Banks, Bruce; Lenczewski, Mary; Demko, Rikako

    2002-01-01

    Low Earth orbital atomic oxygen is capable of eroding most polymeric materials typically used on spacecraft. Solar array blankets, thermal control polymers, and carbon fiber matrix composites are readily oxidized to become thinner and less capable of supporting the loads imposed upon them. Protective coatings have been developed that are durable to atomic oxygen to prevent oxidative erosion of the underlying polymers. However, the details of the surface roughness, coating defect density, and coating configuration can play a significant role as to whether or not the coating provides long duration atomic oxygen protection. Identical coatings on different surface roughness surfaces can have drastically different durability results. Examples and analysis of the causes of resultant differences in atomic oxygen protection are presented. Implications based on in-space experiences, ground laboratory testing, and computational modeling indicate that thin film vacuum-deposited aluminum protective coatings offer much less atomic oxygen protection than sputter-deposited silicon dioxide coatings.

  12. Monte Carlo Computational Modeling of the Energy Dependence of Atomic Oxygen Undercutting of Protected Polymers

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.; Stueber, Thomas J.; Norris, Mary Jo

    1998-01-01

    A Monte Carlo computational model has been developed which simulates atomic oxygen attack of protected polymers at defect sites in the protective coatings. The parameters defining how atomic oxygen interacts with polymers and protective coatings as well as the scattering processes which occur have been optimized to replicate experimental results observed from protected polyimide Kapton on the Long Duration Exposure Facility (LDEF) mission. Computational prediction of atomic oxygen undercutting at defect sites in protective coatings for various arrival energies was investigated. The atomic oxygen undercutting energy dependence predictions enable one to predict mass loss that would occur in low Earth orbit, based on lower energy ground laboratory atomic oxygen beam systems. Results of computational model prediction of undercut cavity size as a function of energy and defect size will be presented to provide insight into expected in-space mass loss of protected polymers with protective coating defects based on lower energy ground laboratory testing.

  13. Determination of atomic oxygen fluence using spectrophotometric analysis of infrared transparent witness coupons for long duration exposure tests

    NASA Technical Reports Server (NTRS)

    Podojil, Gregg M.; Jaworske, Donald A.

    1993-01-01

    Atomic oxygen degradation is one of several major threats to the durability of spaceborne systems in low Earth orbit. Ground-based simulations are conducted to learn how to minimize the adverse effects of atomic oxygen exposure. Assessing the fluence of atomic oxygen in test chambers such as a plasma asher over long periods of time is necessary for accurate determination of atomic oxygen exposure. Currently, an atomic oxygen susceptible organic material such as Kapton is placed next to samples as a witness coupon and its mass loss is monitored and used to determine the effective atomic oxygen fluence. However, degradation of the Kapton witness coupons occurs so rapidly in plasma ashers that for any long term test many witness coupons must be used sequentially in order to keep track of the fluence. This necessitates opening vacuum to substitute fresh coupons. A passive dosimetry technique was sought to monitor atomic oxygen exposure over longer periods without the need to open the plasma asher to the atmosphere. This paper investigates the use of spectrophotometric analysis of durable IR transparent witness coupons to measure atomic oxygen exposure for longer duration testing. The method considered would be conductive to making in situ measurements of atomic oxygen fluence.

  14. Comparison of the Atomic Oxygen Erosion Depth and Cone Height of Various Materials at Hyperthermal Energy

    NASA Technical Reports Server (NTRS)

    Waters, Deborah L.; Banks, Bruce A.; Thorson, Stephen D.; deGroh, Kim, K.; Miller, Sharon K.

    2007-01-01

    Atomic oxygen readily reacts with most spacecraft polymer materials exposed to the low Earth orbital (LEO) environment. If the atomic oxygen arrival comes from a fixed angle of impact, the resulting erosion will foster the development of a change in surface morphology as material thickness decreases. Hydrocarbon and halopolymer materials, as well as graphite, are easily oxidized and textured by directed atomic oxygen in LEO at energies of approx.4.5 eV. What has been curious is that the ratio of cone height to erosion depth is quite different for different materials. The formation of cones under fixed direction atomic oxygen attack may contribute to a reduction in material tensile strength in excess of that which would occur if the cone height to erosion depth ratio was very low because of greater opportunities for crack initiation. In an effort to understand how material composition affects the ratio of cone height to erosion depth, an experimental investigation was conducted on 18 different materials exposed to a hyperthermal energy directed atomic oxygen source (approx.70 eV). The materials were first salt-sprayed to provide microscopic local areas that would be protected from atomic oxygen. This allowed erosion depth measurements to be made by scanning microscopy inspection. The polymers were then exposed to atomic oxygen produced by an end Hall ion source that was operated on pure oxygen. Samples were exposed to an atomic oxygen effective fluence of 1.0x10(exp 20) atoms/sq cm based on Kapton H polyimide erosion. The average erosion depth and average cone height were determined using field emission scanning electron microscopy (FESEM). The experimental ratio of average cone height to erosion depth is compared to polymer composition and other properties.

  15. Kinetics of oxygen atom formation during the oxidation of methane behind shock waves

    NASA Technical Reports Server (NTRS)

    Jachimowski, C. J.

    1974-01-01

    An experimental and analytical study of the formation of oxygen atoms during the oxidation of methane and methane-hydrogen mixtures behind incident shock waves was carried out over the temperature range 1790-2584 K at reaction pressures between 1.2 and 1.7 atm. Oxygen atom levels were determined indirectly by measurement of emission from reaction of O with CO. On the basis of these data and ignition-delay data reported in the literature, a kinetic scheme for methane oxidation was assembled. The proposed kinetic mechanism, in general, predicts higher peak oxygen atom levels than the current oxidation mechanisms proposed by Bowman and Seery and by Skinner and his co-workers.

  16. Laser supported detonation wave source of atomic oxygen for aerospace material testing

    NASA Technical Reports Server (NTRS)

    Krech, Robert H.; Caledonia, George E.

    1990-01-01

    A pulsed high-flux source of nearly monoenergetic atomic oxygen was developed to perform accelerated erosion testing of spacecraft materials in a simulated low-earth orbit (LEO) environment. Molecular oxygen is introduced into an evacuated conical expansion nozzle at several atmospheres pressure through a pulsed molecular beam valve. A laser-induced breakdown is generated in the nozzle throat by a pulsed CO2 TEA laser. The resulting plasma is heated by the ensuing laser-supported detonation wave, and then it rapidly expands and cools. An atomic oxygen beam is generated with fluxes above 10 to the 18th atoms per pulse at 8 + or - 1.6 km/s with an ion content below 1 percent for LEO testing. Materials testing yielded the same surface oxygen enrichment in polyethylene samples as observed on the STS mission, and scanning electron micrographs of the irradiated polymer surfaces showed an erosion morphology similar to that obtained on low earth orbit.

  17. Application of an atomic oxygen beam facility to the investigation of shuttle glow chemistry

    NASA Technical Reports Server (NTRS)

    Arnold, G. S.; Peplinski, D. R.

    1985-01-01

    A facility for the investigation of the interactions of energetic atomic oxygen with solids is described. The facility is comprised of a four chambered, differentially pumped molecular beam apparatus which can be equipped with one of a variety of sources of atomic oxygen. The primary source is a dc arc heated supersonic nozzle source which produces a flux of atomic oxygen in excess of 10 to the 15th power sq cm/sec at the target, at a velocity of 3.5 km/sec. Results of applications of this facility to the study of the reactions of atomic oxygen with carbon and polyimide films are briefly reviewed and compared to data obtained on various flights of the space shuttle. A brief discussion of possible application of this facility to investigation of chemical reactions which might contribute to atmosphere induced vehicle glow is presented.

  18. Issues and Consequences of Atomic Oxygen Undercutting of Protected Polymers in Low Earth Orbit

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.; Snyder, Aaron; Miller, Sharon K.; Demko, Rikako

    2002-01-01

    Hydrocarbon based polymers that are exposed to atomic oxygen in low Earth orbit are slowly oxidized which results in recession of their surface. Atomic oxygen protective coatings have been developed which are both durable to atomic oxygen and effective in protecting underlying polymers. However, scratches, pin window defects, polymer surface roughness and protective coating layer configuration can result in erosion and potential failure of protected thin polymer films even though the coatings are themselves atomic oxygen durable. This paper will present issues that cause protective coatings to become ineffective in some cases yet effective in others due to the details of their specific application. Observed in-space examples of failed and successfully protected materials using identical protective thin films will be discussed and analyzed. Proposed approaches to prevent the failures that have been observed will also be presented.

  19. The time variation of atomic oxygen emission around Io during a volcanic event observed with Hisaki/EXCEED

    NASA Astrophysics Data System (ADS)

    Koga, Ryoichi; Tsuchiya, Fuminori; Kagitani, Masato; Sakanoi, Takeshi; Yoneda, Mizuki; Yoshioka, Kazuo; Kimura, Tomoki; Murakami, Go; Yamazaki, Atsushi; Yoshikawa, Ichiro; Smith, H. Todd

    2018-01-01

    Io has an atmosphere produced by volcanism and sublimation of frosts deposited around active volcanoes. However, the time variation of atomic oxygen escaping Io's atmosphere is not well known. In this paper, we show a significant increase in atomic oxygen around Io during a volcanic event. Brightening of Io's extended sodium nebula was observed in the spring of 2015. We used the Hisaki satellite to investigate the time variation of atomic oxygen emission around Io during the same period. This investigation reveals that the duration of atomic oxygen brightness increases from a volcanically quiet level to a maximum level during the same approximate time period of 30 days as the observed sodium brightness. On the other hand, the recovery of the atomic oxygen brightness from the maximum to the quiet level (60 days) was longer than that of the sodium nebula decreasing (40 days). Additionally, a dawn-dusk asymmetry of the atomic oxygen emission is observed.

  20. The Development of a Method to Extract High Purity Oxygen From the Martian Atmosphere

    NASA Astrophysics Data System (ADS)

    Wu, Dongchuan

    1994-01-01

    A glow-discharge in an ambient Mars atmosphere (total pressure of 5 torr, composed of 96% carbon dioxide) results in the dissociation of carbon dioxide molecules into carbon monoxide and oxygen. If the glow-discharge cone is maintained adjacent and close to a silver membrane, operated at temperatures above 400 deg. C, atomic and molecular oxygen, produced by the glow-discharge, can be separated from the other species by atomic diffusion through the membrane to an ultrahigh vacuum region where the desorbed O2 is then collected. Experiments have been conducted to study the behavior of the glow discharge in both molecular oxygen and carbon dioxide environments, and to study the interaction of atomic and molecular oxygen with silver. It was found that, with this geometry, more than 75% of the CO2 was dissociated into CO and O with only 5 mA discharge current and that the permeation flux increased linearly with discharge current. Only 0.65% of the generated atomic oxygen was adsorbed at the membrane because it quickly recombined to form O2 as it migrated toward the membrane. The atomic oxygen arriving at the membrane, bypassed the thermal dissociative adsorption and therefore had a much higher sticking coefficient. This higher sticking coefficient resulted in a greatly increased surface concentration of oxygen which greatly increased the oxygen flux through the membrane. The sticking coefficient of the atomic oxygen on silver was estimated by using a Langmuir type model and was found to be close to 1 at room temperature. Since most of the gas phase atomic oxygen quickly recombined to form O2 as it migrated toward the silver membrane, both a small amount of atomic oxygen and a relative large amount of molecular oxygen components will adsorb on the hot Ag membrane. But because of the much higher sticking coefficient for atomic oxygen on silver, the atomic component dominated the adsorption. It was also found that the oxygen flux through the Ag membranes is diffusion

  1. Uranium Adsorbent Fibers Prepared by Atom-Transfer Radical Polymerization from Chlorinated Polypropylene and Polyethylene Trunk Fibers

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Brown, Suree; Chatterjee, Sabornie; Li, Meijun

    Seawater contains a large amount of uranium (~4.5 billion tons) which can serve as a limitless supply of an energy source. However, in order to make the recovery of uranium from seawater economically feasible, lower manufacturing and deployment costs are required, and thus, solid adsorbents must have high uranium uptake, reusability, and high selectivity toward uranium. In this study, atom-transfer radical polymerization (ATRP), without the radiation-induced graft polymerization (RIGP), was used for grafting acrylonitrile (AN) and tert-butyl acrylate (tBA) from a new class of trunk fibers, forming adsorbents in a readily deployable form. The new class of trunk fibers wasmore » prepared by the chlorination of PP round fiber, hollow-gear-shaped PP fiber, and hollow-gear-shaped PE fiber. During ATRP, degrees of grafting (d.g.) varied according to the structure of active chlorine sites on trunk fibers and ATRP conditions, and the d.g. as high as 2570% was obtained. Resulting adsorbent fibers were evaluated in U-spiked simulated seawater and the maximum adsorption capacity of 146.6 g U/kg, much higher than that of a standard adsorbent JAEA fiber (75.1 g/kg), was obtained. This new type of trunk fibers can be used for grafting a variety of uranium-interacting ligands, including designed ligands that are highly selective toward uranium.« less

  2. Uranium Adsorbent Fibers Prepared by Atom-Transfer Radical Polymerization from Chlorinated Polypropylene and Polyethylene Trunk Fibers

    DOE PAGES

    Brown, Suree; Chatterjee, Sabornie; Li, Meijun; ...

    2015-12-10

    Seawater contains a large amount of uranium (~4.5 billion tons) which can serve as a limitless supply of an energy source. However, in order to make the recovery of uranium from seawater economically feasible, lower manufacturing and deployment costs are required, and thus, solid adsorbents must have high uranium uptake, reusability, and high selectivity toward uranium. In this study, atom-transfer radical polymerization (ATRP), without the radiation-induced graft polymerization (RIGP), was used for grafting acrylonitrile (AN) and tert-butyl acrylate (tBA) from a new class of trunk fibers, forming adsorbents in a readily deployable form. The new class of trunk fibers wasmore » prepared by the chlorination of PP round fiber, hollow-gear-shaped PP fiber, and hollow-gear-shaped PE fiber. During ATRP, degrees of grafting (d.g.) varied according to the structure of active chlorine sites on trunk fibers and ATRP conditions, and the d.g. as high as 2570% was obtained. Resulting adsorbent fibers were evaluated in U-spiked simulated seawater and the maximum adsorption capacity of 146.6 g U/kg, much higher than that of a standard adsorbent JAEA fiber (75.1 g/kg), was obtained. This new type of trunk fibers can be used for grafting a variety of uranium-interacting ligands, including designed ligands that are highly selective toward uranium.« less

  3. Monte Carlo modeling of atomic oxygen attack of polymers with protective coatings on LDEF

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.; Degroh, Kim K.; Sechkar, Edward A.

    1992-01-01

    Characterization of the behavior of atomic oxygen interaction with materials on the Long Duration Exposure Facility (LDEF) will assist in understanding the mechanisms involved, and will lead to improved reliability in predicting in-space durability of materials based on ground laboratory testing. A computational simulation of atomic oxygen interaction with protected polymers was developed using Monte Carlo techniques. Through the use of assumed mechanistic behavior of atomic oxygen and results of both ground laboratory and LDEF data, a predictive Monte Carlo model was developed which simulates the oxidation processes that occur on polymers with applied protective coatings that have defects. The use of high atomic oxygen fluence-directed ram LDEF results has enabled mechanistic implications to be made by adjusting Monte Carlo modeling assumptions to match observed results based on scanning electron microscopy. Modeling assumptions, implications, and predictions are presented, along with comparison of observed ground laboratory and LDEF results.

  4. Oxygen evolution on a SrFeO3 anode - Mechanistic considerations from molecular orbital theory

    NASA Technical Reports Server (NTRS)

    Mehandru, S. P.; Anderson, Alfred B.

    1989-01-01

    Various pathways proposed in the literature for the evolution of O2 in electrochemical oxidations are explored using the atom superposition and electron delocalization molecular orbital (ASED-MO) theory and the cluster models of the SrFeO3 surface as a prototype material. Calculations indicate that oxygen atoms can be easily formed on the (100) surface as well as on the edge cation sites of a SrFeO3 anode by the discharge of OH(-), followed by its deprotonation and electron transfer to the electrode. The O atoms can form O2 on the edge and corner sites, where the Fe(4+) is coordinated to four and three bulk oxygen anions, respectively. The calculations strongly disfavor mechanisms involving coupling of oxygen atoms adsorbed on different cations as well as a mechanism featuring an ozone intermediate.

  5. Energetic Metastable Oxygen and Nitrogen Atoms in the Terrestrial Atmosphere

    NASA Technical Reports Server (NTRS)

    Kharchenko, Vasili

    2003-01-01

    We have investigated the energy distributions of the metastable oxygen atoms in the terrestrial thermosphere. Nascent O(lD) atoms play a fundamental role in the energy balance and chemistry of the terrestrial atmosphere, because they are produced by photo-chemical reactions in the excited electronic states and carry significant translational energies.

  6. Accelerated Oxygen Atom Transfer and C-H Bond Oxygenation by Remote Redox Changes in Fe 3Mn-Iodosobenzene Adducts

    DOE PAGES

    de Ruiter, Graham; Carsch, Kurtis M.; Gul, Sheraz; ...

    2017-03-24

    In this paper, we report the synthesis, characterization, and reactivity of [LFe 3(PhPz) 3OMn( sPhIO)][OTf] x (3: x=2; 4: x=3), where 4 is one of very few examples of iodosobenzene–metal adducts characterized by X-ray crystallography. Access to these rare heterometallic clusters enabled differentiation of the metal centers involved in oxygen atom transfer (Mn) or redox modulation (Fe). Specifically, 57Fe Mössbauer and X-ray absorption spectroscopy provided unique insights into how changes in oxidation state (Fe III 2Fe IIMn II vs. Fe III 3Mn II) influence oxygen atom transfer in tetranuclear Fe 3Mn clusters. Finally, in particular, a one-electron redox change atmore » a distal metal site leads to a change in oxygen atom transfer reactivity by ca. two orders of magnitude.« less

  7. Atomic oxygen recombination on quartz at high temperature: experiments and molecular dynamics simulation.

    PubMed

    Bedra, L; Rutigliano, M; Balat-Pichelin, M; Cacciatore, M

    2006-08-15

    A joint experimental and theoretical approach has been developed to study oxygen atom recombination on a beta-quartz surface. The experimental MESOX setup has been applied for the direct measurement of the atomic oxygen recombination coefficient gamma at T(S) = 1000 K. The time evolution of the relative atomic oxygen concentration in the cell is described by the diffusion equation because the mean free path of the atoms is less than the characteristic dimension of the reactor. The recombination coefficient gamma is then calculated from the concentration profile obtained by visible spectroscopy. We get an experimental value of gamma = 0.008, which is a factor of about 3 less than the gamma value reported for O recombination over beta-cristobalite. The experimental results are discussed and compared with the semiclassical collision dynamics calculations performed on the same catalytic system aimed at determining the basic features of the surface catalytic activity. Agreement, both qualitative and quantitative, between the experimental and the theoretical recombination coefficients has been found that supports the Eley-Rideal recombination mechanism and gives more evidence of the impact that surface crystallographic variation has on catalytic activity. Also, several interesting aspects concerning the energetics and the mechanism of the surface processes involving the oxygen atoms are pointed out and discussed.

  8. Sulfur Atoms Adsorbed on Cu(100) at Low Coverage: Characterization and Stability against Complexation

    DOE PAGES

    Walen, Holly; Liu, Da-Jiang; Oh, Junepyo; ...

    2017-08-22

    By using scanning tunneling microscopy, we characterize the size and bias-dependent shape of sulfur atoms on Cu(100) at low coverage (below 0.1 monolayers) and low temperature (quenched from 300 to 5 K). Sulfur atoms populate the Cu(100) terraces more heavily than steps at low coverage, but as coverage approaches 0.1 monolayers, close-packed step edges become fully populated, with sulfur atoms occupying sites on top of the step. Density functional theory (DFT) corroborates the preferential population of terraces at low coverage as well as the step adsorption site. In experiment, small regions with p(2 × 2)-like atomic arrangements emerge on themore » terraces as sulfur coverage approaches 0.1 monolayer. Using DFT, a lattice gas model has been developed, and Monte Carlo simulations based on this model have been compared with the observed terrace configurations. A model containing eight pairwise interaction energies, all repulsive, gives qualitative agreement. Experiment shows that atomic adsorbed sulfur is the only species on Cu(100) up to a coverage of 0.09 monolayers. There are no Cu–S complexes. Conversely, prior work has shown that a Cu 2S 3 complex forms on Cu(111) under comparable conditions. On the basis of DFT, this difference can be attributed mainly to stronger adsorption of sulfur on Cu(100) as compared with Cu(111).« less

  9. Sulfur Atoms Adsorbed on Cu(100) at Low Coverage: Characterization and Stability against Complexation

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Walen, Holly; Liu, Da-Jiang; Oh, Junepyo

    By using scanning tunneling microscopy, we characterize the size and bias-dependent shape of sulfur atoms on Cu(100) at low coverage (below 0.1 monolayers) and low temperature (quenched from 300 to 5 K). Sulfur atoms populate the Cu(100) terraces more heavily than steps at low coverage, but as coverage approaches 0.1 monolayers, close-packed step edges become fully populated, with sulfur atoms occupying sites on top of the step. Density functional theory (DFT) corroborates the preferential population of terraces at low coverage as well as the step adsorption site. In experiment, small regions with p(2 × 2)-like atomic arrangements emerge on themore » terraces as sulfur coverage approaches 0.1 monolayer. Using DFT, a lattice gas model has been developed, and Monte Carlo simulations based on this model have been compared with the observed terrace configurations. A model containing eight pairwise interaction energies, all repulsive, gives qualitative agreement. Experiment shows that atomic adsorbed sulfur is the only species on Cu(100) up to a coverage of 0.09 monolayers. There are no Cu–S complexes. Conversely, prior work has shown that a Cu 2S 3 complex forms on Cu(111) under comparable conditions. On the basis of DFT, this difference can be attributed mainly to stronger adsorption of sulfur on Cu(100) as compared with Cu(111).« less

  10. Trimethylaluminum and Oxygen Atomic Layer Deposition on Hydroxyl-Free Cu(111).

    PubMed

    Gharachorlou, Amir; Detwiler, Michael D; Gu, Xiang-Kui; Mayr, Lukas; Klötzer, Bernhard; Greeley, Jeffrey; Reifenberger, Ronald G; Delgass, W Nicholas; Ribeiro, Fabio H; Zemlyanov, Dmitry Y

    2015-08-05

    Atomic layer deposition (ALD) of alumina using trimethylaluminum (TMA) has technological importance in microelectronics. This process has demonstrated a high potential in applications of protective coatings on Cu surfaces for control of diffusion of Cu in Cu2S films in photovoltaic devices and sintering of Cu-based nanoparticles in liquid phase hydrogenation reactions. With this motivation in mind, the reaction between TMA and oxygen was investigated on Cu(111) and Cu2O/Cu(111) surfaces. TMA did not adsorb on the Cu(111) surface, a result consistent with density functional theory (DFT) calculations predicting that TMA adsorption and decomposition are thermodynamically unfavorable on pure Cu(111). On the other hand, TMA readily adsorbed on the Cu2O/Cu(111) surface at 473 K resulting in the reduction of some surface Cu(1+) to metallic copper (Cu(0)) and the formation of a copper aluminate, most likely CuAlO2. The reaction is limited by the amount of surface oxygen. After the first TMA half-cycle on Cu2O/Cu(111), two-dimensional (2D) islands of the aluminate were observed on the surface by scanning tunneling microscopy (STM). According to DFT calculations, TMA decomposed completely on Cu2O/Cu(111). High-resolution electron energy loss spectroscopy (HREELS) was used to distinguish between tetrahedrally (Altet) and octahedrally (Aloct) coordinated Al(3+) in surface adlayers. TMA dosing produced an aluminum oxide film, which contained more octahedrally coordinated Al(3+) (Altet/Aloct HREELS peak area ratio ≈ 0.3) than did dosing O2 (Altet/Aloct HREELS peak area ratio ≈ 0.5). After the first ALD cycle, TMA reacted with both Cu2O and aluminum oxide surfaces in the absence of hydroxyl groups until film closure by the fourth ALD cycle. Then, TMA continued to react with surface Al-O, forming stoichiometric Al2O3. O2 half-cycles at 623 K were more effective for carbon removal than O2 half-cycles at 473 K or water half-cycles at 623 K. The growth rate was approximately 3

  11. Trimethylaluminum and Oxygen Atomic Layer Deposition on Hydroxyl-Free Cu(111)

    PubMed Central

    2015-01-01

    Atomic layer deposition (ALD) of alumina using trimethylaluminum (TMA) has technological importance in microelectronics. This process has demonstrated a high potential in applications of protective coatings on Cu surfaces for control of diffusion of Cu in Cu2S films in photovoltaic devices and sintering of Cu-based nanoparticles in liquid phase hydrogenation reactions. With this motivation in mind, the reaction between TMA and oxygen was investigated on Cu(111) and Cu2O/Cu(111) surfaces. TMA did not adsorb on the Cu(111) surface, a result consistent with density functional theory (DFT) calculations predicting that TMA adsorption and decomposition are thermodynamically unfavorable on pure Cu(111). On the other hand, TMA readily adsorbed on the Cu2O/Cu(111) surface at 473 K resulting in the reduction of some surface Cu1+ to metallic copper (Cu0) and the formation of a copper aluminate, most likely CuAlO2. The reaction is limited by the amount of surface oxygen. After the first TMA half-cycle on Cu2O/Cu(111), two-dimensional (2D) islands of the aluminate were observed on the surface by scanning tunneling microscopy (STM). According to DFT calculations, TMA decomposed completely on Cu2O/Cu(111). High-resolution electron energy loss spectroscopy (HREELS) was used to distinguish between tetrahedrally (Altet) and octahedrally (Aloct) coordinated Al3+ in surface adlayers. TMA dosing produced an aluminum oxide film, which contained more octahedrally coordinated Al3+ (Altet/Aloct HREELS peak area ratio ≈ 0.3) than did dosing O2 (Altet/Aloct HREELS peak area ratio ≈ 0.5). After the first ALD cycle, TMA reacted with both Cu2O and aluminum oxide surfaces in the absence of hydroxyl groups until film closure by the fourth ALD cycle. Then, TMA continued to react with surface Al–O, forming stoichiometric Al2O3. O2 half-cycles at 623 K were more effective for carbon removal than O2 half-cycles at 473 K or water half-cycles at 623 K. The growth rate was approximately 3–4

  12. Atomic oxygen effects on materials

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.; Rutledge, Sharon K.; Brady, Joyce A.; Merrow, James E.

    1989-01-01

    Understanding of the basic processes of atomic oxygen interaction is currently at a very elementary level. However, measurement of erosion yields, surface morphology, and optical properties for low fluences have brought about much progress in the past decade. Understanding the mechanisms and those factors that are important for proper simulation of low Earth orbit is at a much lower level of understanding. The ability to use laboratory simulations with confidence to quantifiably address the functional performance and durability of materials in low Earth orbit will be necessary to assure long-term survivability to the natural space environment.

  13. Magnetic and Electronic Properties of h-BN Nanosheets with Nonmetal Atoms Adsorbed: an Ab Initio Study

    NASA Astrophysics Data System (ADS)

    Luo, M.; Yin, H. H.; Chu, J. H.

    2018-04-01

    The magnetic properties of the h-BN monolayer with nonmetal atoms are studied by ab initio methods. Different dopants (C, Cl, F, and O) and doping sites are considered. Magnetic behavior is observed in the two-dimensional (2D) BN system with C, Cl, and O atoms. On the other hand, the O adsorbed system shows a more stable formed structure among above three magnetic materials, we study the ferromagnetic (FM) interaction in 2D-BN system with two O adatoms. Interestingly, as the O-O distance increases, the interaction between two O adatoms prefers to a long-range FM coupling. This phenomenon could be well described by a simple Heisenberg model.

  14. Calculated values of atomic oxygen fluences and solar exposure on selected surfaces of LDEF

    NASA Technical Reports Server (NTRS)

    Gillis, J. R.; Pippin, H. G.; Bourassa, R. J.; Gruenbaum, P. E.

    1995-01-01

    Atomic oxygen (AO) fluences and solar exposure have been modeled for selected hardware from the Long Duration Exposure Facility (LDEF). The atomic oxygen exposure was modeled using the microenvironment modeling code SHADOWV2. The solar exposure was modeled using the microenvironment modeling code SOLSHAD version 1.0.

  15. Electronic structure studies of Ni( 1 0 0 ) surface reconstructions resulting from carbon, nitrogen, or oxygen atom adsorption

    NASA Astrophysics Data System (ADS)

    Kirsch, Janet E.; Harris, Suzanne

    2003-01-01

    Solid-state Fenske-Hall band structure calculations have been used to study the different surface structures which result from adsorption of a half monolayer of C, N, or O atoms on the Ni(1 0 0) surface. C or N atoms sit nearly coplanar with the surface Ni atoms and induce the "clock" reconstruction of the surface. In contrast, adsorbed O atoms sit slightly above the Ni(1 0 0) surface plane and have little effect on the overall surface structure. The local environments of the C, N, and O atoms on these surfaces are similar to their environments in a series of late transition metal carbonyl clusters, suggesting that some of the same electronic factors may play a role in favoring the different structures. Results of the calculations indicate that when adsorbates occupy coplanar sites on Ni(1 0 0), much of the Ni-Ni bonding within the surface layer and between the surface- and second-layers is disrupted. On the C- and N-covered surfaces the disruption is more than compensated for by the formation of strong adsorbate-Ni bonds and by new Ni-Ni surface bonds resulting from the clock reconstruction. When O is forced into a coplanar site, however, both the higher electron count and increased electronegativity of the O atoms lead to severe disruption of the surface bonding and weak Ni-O bonds. When O atoms sit above the surface, they form more polar Ni-O bonds, contribute less electron density to the Ni surface bands, and cause less disruption to Ni-Ni surface bonds. These results suggest that, similar to the organometallic clusters, the site preferences of C, N, and O atoms are directly related to their electron count, and in turn to the relative occupation of both Ni-Ni and X-Ni (X=C, N, O) antibonding bands.

  16. In-situ probing of coupled atomic restructuring and metallicity of oxide heterointerfaces induced by polar adsorbates

    NASA Astrophysics Data System (ADS)

    Ryu, S.; Zhou, H.; Paudel, T. R.; Irwin, J.; Podkaminer, J. P.; Bark, C. W.; Lee, D.; Kim, T. H.; Fong, D. D.; Rzchowski, M. S.; Tsymbal, E. Y.; Eom, C. B.

    2017-10-01

    Microscopic understanding of the surface-controlled conductivity of the two dimensional electron gas at complex oxide interfaces is crucial for developing functional interfaces. We observe conductivity and structural modification using in-situ synchrotron surface x-ray diffraction as the surface of a model LaAlO3/SrTiO3 (001) heterostructure is changed by polar adsorbates. We find that polar adsorbate-induced interfacial metallicity reduces polar distortions in the LaAlO3 layer. First-principles density functional theory calculations show that surface dipoles introduced by polar adsorbates lead to additional charge transfer and the reduction of polar displacements in the LaAlO3 layer, consistent with the experimental observations. Our study supports that internal structural deformations controlling functionalities can be driven without the application of direct electrical or thermal bias and offers a route to tuning interfacial properties. These results also highlight the important role of in-situ x-ray scattering with atomic resolution in capturing and exploring structural distortions and charge density changes caused by external perturbations such as chemical adsorption, redox reaction, and generation and/or annihilation of surface defects.

  17. In-situ probing of coupled atomic restructuring and metallicity of oxide heterointerfaces induced by polar adsorbates

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ryu, S.; Zhou, H.; Paudel, T. R.

    Microscopic understanding of the surface-controlled conductivity of the two dimensional electron gas at complex oxide interfaces is crucial for developing functional interfaces. We observe conductivity and structural modification using in-situ synchrotron surface x-ray diffraction as the surface of a model LaAlO3/SrTiO3 (001) heterostructure is changed by polar adsorbates. We find that polar adsorbate-induced interfacial metallicity reduces polar distortions in the LaAlO3 layer. First-principles density functional theory calculations show that surface dipoles introduced by polar adsorbates lead to additional charge transfer and the reduction of polar displacements in the LaAlO3 layer, consistent with the experimental observations. Our study supports that internalmore » structural deformations controlling functionalities can be driven without the application of direct electrical or thermal bias and offers a route to tuning interfacial properties. These results also highlight the important role of in-situ x-ray scattering with atomic resolution in capturing and exploring structural distortions and charge density changes caused by external perturbations such as chemical adsorption, redox reaction, and generation and/or annihilation of surface defects.« less

  18. Efficient epoxidation of a terminal alkene containing allylic hydrogen atoms: trans-methylstyrene on Cu{111}.

    PubMed

    Cropley, Rachael L; Williams, Federico J; Urquhart, Andrew J; Vaughan, Owain P H; Tikhov, Mintcho S; Lambert, Richard M

    2005-04-27

    The selective oxidation of trans-methylstyrene, a phenyl-substituted propene that contains labile allylic hydrogen atoms, has been studied on Cu{111}. Mass spectrometry and synchrotron fast XPS were used to detect, respectively, desorbing gaseous products and the evolution of surface species as a function of temperature and time. Efficient partial oxidation occurs yielding principally the epoxide, and the behavior of the system is sensitive to the order in which reactants are adsorbed. The latter is understandable in terms of differences in the spatial distribution of oxygen adatoms; isolated adatoms lead to epoxidation, while islands of "oxidic" oxygen do not. NEXAFS data taken over a range of coverages and in the presence and absence of coadsorbed oxygen indicate that the adsorbed alkene lies essentially flat with the allylic hydrogen atoms close to the surface. The photoemission results and comparison with the corresponding behavior of styrene on Cu{111} strongly suggest that allylic hydrogen abstraction is indeed a critical factor that limits epoxidation selectivity. An overall mechanism consistent with the structural and reactive properties is proposed.

  19. Recombination reactions of 5-eV O(3P) atoms on a MgF2 surface

    NASA Technical Reports Server (NTRS)

    Orient, O. J.; Chutjian, A.; Murad, E.

    1990-01-01

    A source of hyperthermal, ground-state, impurity-free, atomic oxygen of an energy variable in the range 2-100 eV has been developed. Experimental results are presented of emission spectra in the wavelength range 250-850 nm produced by collisions of 5-eV O(3P) atoms with adsorbed NO and CO molecules on a MgF2 surface.

  20. A high flux source of swift oxygen atoms

    NASA Technical Reports Server (NTRS)

    Fink, M.; Kohl, D. A.; Keto, J. W.; Antoniewicz, P.

    1987-01-01

    A source of swift oxygen atoms is described which has several unique features. A high current ion beam is produced by a microwave discharge, accelerated to 10 keV and the mass selected by a modified Du Pont 21-110 mass spectrometer. The O(+) beam exciting the mass spectrometer is focused into a rectangular shape with an energy spread of less than 1 eV. The next section of the machine decelerates the ion beam into a counterpropagating electron beam in order to minimize space charge effects. After deceleration, the ion beam intersects at 90 deg, a neutral oxygen atom beam, which via resonant charge exchange produces a mixture of O(+) and O. Any remaining O(+) are swept out of the beam by an electric field and differentially pumped away while the desired O beam, collimated by slits, impinges on the target. In situ monitoring of the target surface is done by X-ray photoelectron or Auger spectroscopy. Faraday cups provide flux measurements in the ion sections while the neutral flux is determined by a special torsion balance or by a quadrupole mass spectrometer specially adapted for swift atoms. While the vacuum from the source through the mass spectrometer is maintained by diffusion pumps, the rest of the machine is UHV.

  1. An important atomic process in the CVD growth of graphene: Sinking and up-floating of carbon atom on copper surface

    NASA Astrophysics Data System (ADS)

    Li, Yingfeng; Li, Meicheng; Gu, TianSheng; Bai, Fan; Yu, Yue; Trevor, Mwenya; Yu, Yangxin

    2013-11-01

    By density functional theory (DFT) calculations, the early stages of the growth of graphene on copper (1 1 1) surface are investigated. At the very first time of graphene growth, the carbon atom sinks into subsurface. As more carbon atoms are adsorbed nearby the site, the sunken carbon atom will spontaneously form a dimer with one of the newly adsorbed carbon atoms, and the formed dimer will up-float on the top of the surface. We emphasize the role of the co-operative relaxation of the co-adsorbed carbon atoms in facilitating the sinking and up-floating of carbon atoms. In detail: when two carbon atoms are co-adsorbed, their co-operative relaxation will result in different carbon-copper interactions for the co-adsorbed carbon atoms. This difference facilitates the sinking of a single carbon atom into the subsurface. As a third carbon atom is co-adsorbed nearby, it draws the sunken carbon atom on top of the surface, forming a dimer. Co-operative relaxations of the surface involving all adsorbed carbon atoms and their copper neighbors facilitate these sinking and up-floating processes. This investigation is helpful for the deeper understanding of graphene synthesis and the choosing of optimal carbon sources or process.

  2. Accelerated Oxygen Atom Transfer and C-H Bond Oxygenation by Remote Redox Changes in Fe3 Mn-Iodosobenzene Adducts.

    PubMed

    de Ruiter, Graham; Carsch, Kurtis M; Gul, Sheraz; Chatterjee, Ruchira; Thompson, Niklas B; Takase, Michael K; Yano, Junko; Agapie, Theodor

    2017-04-18

    We report the synthesis, characterization, and reactivity of [LFe 3 (PhPz) 3 OMn( s PhIO)][OTf] x (3: x=2; 4: x=3), where 4 is one of very few examples of iodosobenzene-metal adducts characterized by X-ray crystallography. Access to these rare heterometallic clusters enabled differentiation of the metal centers involved in oxygen atom transfer (Mn) or redox modulation (Fe). Specifically, 57 Fe Mössbauer and X-ray absorption spectroscopy provided unique insights into how changes in oxidation state (Fe III 2 Fe II Mn II vs. Fe III 3 Mn II ) influence oxygen atom transfer in tetranuclear Fe 3 Mn clusters. In particular, a one-electron redox change at a distal metal site leads to a change in oxygen atom transfer reactivity by ca. two orders of magnitude. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Atomic oxygen degradation of Intelsat 4-type solar array interconnects: Laboratory investigations

    NASA Technical Reports Server (NTRS)

    Koontz, S. L.; Cross, J. B.; Hoffbauer, M. A.; Kirkendahl, T. D.

    1991-01-01

    A Hughes 506 type communication satellite belonging to the Intelsat organization was marooned in low Earth orbit on March 14, 1990, following failure of the Titan third stage to separate properly. The satellite, Intelsat VI, was designed for service in geosynchronous orbit and contains several material configurations which are susceptible to attack by atomic oxygen. Analysis showed the silver foil interconnects in the satellite photovoltaic array to be the key materials issue because the silver is exposed directly to the atomic oxygen ram flux. The results are reported of atomic oxygen degradation testing of Intelsat VI type silver foil interconnects both as virgin material and in a configured solar cell element. Test results indicate that more than 80 pct. of the original thickness of silver in the Intelsat VI solar array interconnects should remain after completion of the proposed Space Shuttle rescue and/or reboost mission.

  4. An e.s.c.a. study of atomic oxygen interactions with phosphazene-coated polyimide films

    NASA Technical Reports Server (NTRS)

    Fewell, Larry L.; Finney, Lorie

    1991-01-01

    Metallic as well as most nonmetallic materials experience oxidation and mass loss via surface erosion in low earth orbit as shown in previous Space Shuttle flights. This study is an evaluation of select polyphosphazene polymers and their resistance to atomic oxygen attack. Electron spectroscopy for chemical analysis examinations of the surfaces of polyphosphazene coatings were monitored for microstructural changes induced during exposures to atomic oxygen. Sample exposures in oxygen plasmas and O(3P) beam were compared as to their effect on surface compositional changes in the polyphosphazene coating. High resolution line scans revealed rearrangements in the polymer backbone and scissioning reactions involving fluorocarbon units of long chain fluoroalkoxy pendant groups. Atom percents and peak areas of all species provided a detailed profile of the microstructural changes induced in phosphazene polymers as a result of exposures to atomic oxygen.

  5. Silicon solar cell performance deposited by diamond like carbon thin film ;Atomic oxygen effects;

    NASA Astrophysics Data System (ADS)

    Aghaei, Abbas Ail; Eshaghi, Akbar; Karami, Esmaeil

    2017-09-01

    In this research, a diamond-like carbon thin film was deposited on p-type polycrystalline silicon solar cell via plasma-enhanced chemical vapor deposition method by using methane and hydrogen gases. The effect of atomic oxygen on the functioning of silicon coated DLC thin film and silicon was investigated. Raman spectroscopy, field emission scanning electron microscopy, atomic force microscopy and attenuated total reflection-Fourier transform infrared spectroscopy were used to characterize the structure and morphology of the DLC thin film. Photocurrent-voltage characteristics of the silicon solar cell were carried out using a solar simulator. The results showed that atomic oxygen exposure induced the including oxidation, structural changes, cross-linking reactions and bond breaking of the DLC film; thus reducing the optical properties. The photocurrent-voltage characteristics showed that although the properties of the fabricated thin film were decreased after being exposed to destructive rays, when compared with solar cell without any coating, it could protect it in atomic oxygen condition enhancing solar cell efficiency up to 12%. Thus, it can be said that diamond-like carbon thin layer protect the solar cell against atomic oxygen exposure.

  6. Importance of atomic oxygen in preheating zone in plasma-assisted combustion of a steady-state premixed burner flame

    NASA Astrophysics Data System (ADS)

    Zaima, K.; Akashi, H.; Sasaki, K.

    2015-09-01

    It is widely believed that electron impact processes play essential roles in plasma-assisted combustion. However, the concrete roles of high-energy electrons have not been fully understood yet. In this work, we examined the density of atomic oxygen in a premixed burner flame with the superposition of dielectric barrier discharge (DBD). The density of atomic oxygen in the reaction zone was not affected by the superposition of DBD, indicating that the amount of atomic oxygen produced by combustion reactions was much larger than that produced by electron impact processes. On the other hand, in the preheating zone, we observed high-frequency oscillation of the density of atomic oxygen at the timings of the pulsed current of DBD. The oscillation suggests the rapid consumption of additional atomic oxygen by combustion reactions. A numerical simulation using Chemkin indicates the shortened ignition delay time when adding additional atomic oxygen in the period of low-temperature oxidation. The present results reveals the importance of atomic oxygen, which is produced by the effect of high-energy electrons, in the preheating zone in plasma-assisted combustion of the steady-state premixed burner flame.

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

    NASA Astrophysics Data System (ADS)

    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.

  8. Atomic oxygen production scaling in a nanosecond-pulsed externally grounded dielectric barrier plasma jet

    NASA Astrophysics Data System (ADS)

    Sands, Brian; Schmidt, Jacob; Ganguly, Biswa; Scofield, James

    2014-10-01

    Atomic oxygen production is studied in a capillary dielectric barrier plasma jet that is externally grounded and driven with a 20-ns risetime positive unipolar pulsed voltage at pulse repetition rates up to 25 kHz. The power coupled to the discharge can be easily increased by increasing the pulse repetition rate. At a critical turnover frequency, determined by the net energy density coupled to the discharge, the plasma chemistry abruptly changes. This is indicated by increased plasma conductance and a transition in reactive oxygen species production from an ozone-dominated production regime below the turnover frequency to atomic-oxygen-dominated production at higher pulse rates. Here, we characterize atomic oxygen production scaling using spatially- and temporally-resolved two-photon absorption laser-induced-fluorescence (TALIF). Quantitative results are obtained via calibration with xenon using a similar laser excitation and collection system. These results are compared with quantitative ozone and discharge power measurements using a helium gas flow with oxygen admixtures up to 3%.

  9. Probing Electrochemical Adsorbate Structure and Reactions with In-Situ Atomic-Resolution Scanning Microscopy: Some Progress and Prospects

    DTIC Science & Technology

    1992-10-01

    organized into hexagonal patterns, but unlike the monoatomic iodine adlayers noted above the close-packed atomic strings tend to lie along the gold ...adsorbate systems. Illustrative results of the former type are presented for the potential-dependent adsorption of iodide at low-index gold electrodes. The...presented for the potential-dependent adsorption of iodide at low-index gold electrodes. The virtues of acquiring "composite-domain" STM images, where

  10. Atomic oxygen undercutting of defects on SiO2 protected polyimide solar array blankets

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.; Rutledge, Sharon K.; Auer, Bruce M.; Difilippo, Frank

    1990-01-01

    Low Earth Orbital (LEO) atomic oxygen can oxidize SiO2-protected polyimide kapton solar array blanket material which is not totally protected as a result of pinholes or scratches in the SiO2 coatings. The probability of atomic oxygen reaction upon initial impact is low, thus inviting oxidation by secondary impacts. The secondary impacts can produce atomic oxygen undercutting which may lead to coating mechanical failure and ever increasing mass loss rates of kapton. Comparison of undercutting effects in isotropic plasma asher and directed beam tests are reported. These experimental results are compared with computational undercutting profiles based on Monte Carlo methods and their implication on LEO performance of protected polymers.

  11. Atomic Oxygen and Space Environment Effects on Aerospace Materials Flown with EOIM-3 Experiment

    NASA Technical Reports Server (NTRS)

    Scialdone, John J.; Clatterbuck, Carroll H.; Ayres-Treusdell, Mary; Park, Gloria; Kolos, Diane

    1996-01-01

    Polymer materials samples mounted on a passive carrier tray were flown aboard the STS-46 Atlantis shuttle as complement to the EOIM-3 (Evaluation of Oxygen Interaction with Materials) experiment to evaluate the effects of atomic oxygen on the materials and to measure the gaseous shuttle bay environment. The morphological changes of the samples produced by the atomic oxygen fluence of 2.07 x 10(exp 20) atoms/cm(exp 2) are being reported. The changes have been verified using Electron Spectroscopy for Chemical Analysis (ESCA), gravimetric measurement, microscopic observations and thermo-optical measurements. The samples, including Kapton, Delrin, epoxies, Beta Cloth, Chemglaze Z306, silver Teflon, silicone coatings, 3M tape and Uralane and Ultem, PEEK, Victrex (PES), Polyethersulfone and Polymethylpentene thermoplastic, have been characterized by their oxygen reaction efficiency on the basis of their erosion losses and the oxygen fluence. Those efficiencies have been compared to results from other experiments, when available. The efficiencies of the samples are all in the range of E-24 g/atom. The results indicate that the reaction efficiencies of the reported materials can be grouped in about three ranges of values. The least affected materials which have efficiencies varying from 1 to 10(exp 25) g/atom, include silicones, epoxies, Uralane and Teflon. A second group with efficiency from 10 to 45(exp 25) g/atom includes additional silicone coatings, the Chemglaze Z306 paint and Kapton. The third range from 50 to 75(exp 25) includes organic compound such as Pentene, Peek, Ultem, Sulfone and a 3M tape. A Delrin sample had the highest reaction efficiency of 179(exp 25) g/atom. Two samples, the aluminum Beta cloth X389-7 and the epoxy fiberglass G-11 nonflame retardant, showed a slight mass increase.

  12. Host and adsorbate dynamics in silicates with flexible frameworks: Empirical force field simulation of water in silicalite

    NASA Astrophysics Data System (ADS)

    Bordat, Patrice; Cazade, Pierre-André; Baraille, Isabelle; Brown, Ross

    2010-03-01

    Molecular dynamics simulations are performed on the pure silica zeolite silicalite (MFI framework code), maintaining via a new force field both framework flexibility and realistic account of electrostatic interactions with adsorbed water. The force field is similar to the well-known "BKS" model [B. W. H. van Beest et al., Phys. Rev. Lett. 64, 1955 (1990)], but with reduced partial atomic charges and reoptimized covalent bond potential wells. The present force field reproduces the monoclinic to orthorhombic transition of silicalite. The force field correctly represents the hydrophobicity of pure silica silicalite, both the adsorption energy, and the molecular diffusion constants of water. Two types of adsorption, specific and weak unspecific, are predicted on the channel walls and at the channel intersection. We discuss molecular diffusion of water in silicalite, deducing a barrier to crossing between the straight and the zigzag channels. Analysis of the thermal motion shows that at room temperature, framework oxygen atoms incurring into the zeolite channels significantly influence the dynamics of adsorbed water.

  13. Proceedings of the NASA Workshop on Atomic Oxygen Effects. [low earth orbital environment

    NASA Technical Reports Server (NTRS)

    Brinza, David E. (Editor)

    1987-01-01

    A workshop was held to address the scientific issues concerning the effects of atomic oxygen on materials in the low Earth orbital (LEO) environment. The program included 18 invited speakers plus contributed posters covering topics such as LEO spaceflight experiments, interaction mechanisms, and atomic oxygen source development. Discussion sessions were also held to organize a test program to evaluate atomic oxygen exposure facilities. The key issues raised in the workshop were: (1) the need to develop a reliable predictive model of the effects of long-term exposure of materials to the LEO environment; (2) the ability of ground-based exposure facilities to provide useful data for development of durable materials; and (3) accurate determination of the composition of the LEO environment. These proceedings include the invited papers, the abstracts for the contributed posters, and an account of the test program discussion sessions.

  14. Thermochemical analyses of the oxidative vaporization of metals and oxides by oxygen molecules and atoms

    NASA Technical Reports Server (NTRS)

    Kohl, F. J.; Leisz, D. M.; Fryburg, G. C.; Stearns, C. A.

    1977-01-01

    Equilibrium thermochemical analyses are employed to describe the vaporization processes of metals and metal oxides upon exposure to molecular and atomic oxygen. Specific analytic results for the chromium-, platinum-, aluminum-, and silicon-oxygen systems are presented. Maximum rates of oxidative vaporization predicted from the thermochemical considerations are compared with experimental results for chromium and platinum. The oxidative vaporization rates of chromium and platinum are considerably enhanced by oxygen atoms.

  15. Two-photon absorption laser-induced fluorescence of atomic oxygen in the afterglow of pulsed positive corona discharge

    NASA Astrophysics Data System (ADS)

    Ono, Ryo; Takezawa, Kei; Oda, Tetsuji

    2009-08-01

    Atomic oxygen is measured in the afterglow of pulsed positive corona discharge using time-resolved two-photon absorption laser-induced fluorescence. The discharge occurs in a 14 mm point-to-plane gap in dry air. After the discharge pulse, the atomic oxygen density decreases at a rate of 5×104 s-1. Simultaneously, ozone density increases at almost the same rate, where the ozone density is measured using laser absorption method. This agreement between the increasing rate of atomic oxygen and decreasing rate of ozone proves that ozone is mainly produced by the well-known three-body reaction, O+O2+M→O3+M. No other process for ozone production such as O2(v)+O2→O3+O is observed. The spatial distribution of atomic oxygen density is in agreement with that of the secondary streamer luminous intensity. This agreement indicates that atomic oxygen is mainly produced in the secondary streamer channels, not in the primary streamer channels.

  16. Femtosecond, two-photon laser-induced-fluorescence imaging of atomic oxygen in an atmospheric-pressure plasma jet

    NASA Astrophysics Data System (ADS)

    Schmidt, Jacob B.; Sands, Brian L.; Kulatilaka, Waruna D.; Roy, Sukesh; Scofield, James; Gord, James R.

    2015-06-01

    Femtosecond, two-photon-absorption laser-induced-fluorescence (fs-TALIF) spectroscopy is employed to measure space- and time-resolved atomic-oxygen distributions in a nanosecond, repetitively pulsed, externally grounded, atmospheric-pressure plasma jet flowing helium with a variable oxygen admixture. The high-peak-intensity, low-average-energy femtosecond pulses result in increased TALIF signal with reduced photolytic inferences. This allows 2D imaging of absolute atomic-oxygen number densities ranging from 5.8   ×   1015 to 2.0   ×   1012cm-3 using a cooled CCD with an external intensifier. Xenon is used for signal and imaging-system calibrations to quantify the atomic-oxygen fluorescence signal. Initial results highlight a transition in discharge morphology from annular to filamentary, corresponding with a change in plasma chemistry from ozone to atomic oxygen production, as the concentration of oxygen in the feed gas is changed at a fixed voltage-pulse-repetition rate. In this configuration, significant concentrations of reactive oxygen species may be remotely generated by sustaining an active discharge beyond the confines of the dielectric capillary, which may benefit applications that require large concentrations of reactive oxygen species such as material processing or biomedical devices.

  17. Hyperthermal atomic oxygen generator

    NASA Technical Reports Server (NTRS)

    Khandelwal, Govind S.; Wu, Dongchuan

    1990-01-01

    Characterization of the transport properties of oxygen through silver was continued. Specifically, experiments measuring the transport through Ag(111), Ag(110), Ag(100) single crystals and through Ag0.05 Zr alloy were completed. In addition, experiments using glow discharge excitation of oxygen to assist in the transport were completed. It was found that the permeability through the different orientations of single crystal Ag was the same, but significant differences existed in the diffusivity. The experimental ratio of diffusivities, however, was in reasonable agreement with theoretical estimates. Since the solubilities of orientations must be the same, this suggests some problems with the assumption K = DS. The glow discharge experiments show that there is a substantial increase in transport (factor of six) when the upstream pressure is dissociated to some fraction of atoms (which have a much higher sticking coefficient). These results indicate that there is a significant surface limitation because of dissociative adsorption of the molecules. Experiments with the Ag0.05 Zr alloy and its high-grain boundary and defect density show a permeability of greater than a factor of two over ordinary polycrystalline Ag, but it is unclear as to whether this is because of enhanced transport through these defects or whether the Zr and defects on the surface increased the sticking coefficient and therefore the transport.

  18. Ice surfaces in the mesosphere: Absence of dangling bonds in the presence of atomic oxygen

    NASA Astrophysics Data System (ADS)

    Boulter, James E.; Morgan, Christopher G.; Marschall, Jochen

    2005-07-01

    Ice deposition experiments in the presence of microwave discharge-dissociated molecular oxygen suggest heterogeneous interactions between dangling OH bonds on the ice surface and atomic oxygen. Ice films deposited on a gold substrate at temperatures of 115, 130, and 140 K from oxygen/water gas mixtures representative of the summertime polar mesosphere exhibit infrared absorption features characteristic of dangling bonds, whereas films grown in the presence of atomic oxygen do not. Dangling bond spectral features are shown to diminish rapidly when the microwave discharge is activated during ice deposition. Similar decreases were not seen when the gas stream was heated or when the ice film was slowly annealed from 130 to 160 K. One interpretation of these results is that atomic oxygen binds to dangling bond sites during ice growth, a phenomenon that may also occur during the formation of ice particles observed just below the cold summertime mesopause.

  19. Quantitative inactivation-mechanisms of P. digitatum and A. niger spores based on atomic oxygen dose

    NASA Astrophysics Data System (ADS)

    Ito, Masafumi; Hashizume, Hiroshi; Ohta, Takayuki; Hori, Masaru

    2014-10-01

    We have investigated inactivation mechanisms of Penicillium digitatum and Asperguills niger spores using atmospheric-pressure radical source quantitatively. The radical source was specially developed for supplying only neutral radicals without charged species and UV-light emissions. Reactive oxygen radical densities such as grand-state oxygen atoms, excited-state oxygen molecules and ozone were measured using VUV and UV absorption spectroscopies. The measurements and the treatments of spores were carried out in an Ar-purged chamber for eliminating the influences of OH, NOx and so on. The results revealed that the inactivation of spores can be explained by atomic-oxygen dose under the conditions employing neutral ROS irradiations. On the basis of the dose, we have observed the changes of intracellular organelles and membrane functions using TEM, SEM and confocal- laser fluorescent microscopy. From these results, we discuss the detail inactivation-mechanisms quantitatively based on atomic-oxygen dose.

  20. Reduction of electron accumulation at InN(0001) surfaces via saturation of surface states by potassium and oxygen as donor- or acceptor-type adsorbates

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Eisenhardt, A.; Reiß, S.; Krischok, S., E-mail: stefan.krischok@tu-ilmenau.de

    2014-01-28

    The influence of selected donor- and acceptor-type adsorbates on the electronic properties of InN(0001) surfaces is investigated implementing in-situ photoelectron spectroscopy. The changes in work function, surface band alignment, and chemical bond configurations are characterized during deposition of potassium and exposure to oxygen. Although an expected opponent charge transfer characteristic is observed with potassium donating its free electron to InN, while dissociated oxygen species extract partial charge from the substrate, a reduction of the surface electron accumulation occurs in both cases. This observation can be explained by adsorbate-induced saturation of free dangling bonds at the InN resulting in the disappearancemore » of surface states, which initially pin the Fermi level and induce downward band bending.« less

  1. Hot-atom versus Eley-Rideal dynamics in hydrogen recombination on Ni(100). I. The single-adsorbate case.

    PubMed

    Martinazzo, R; Assoni, S; Marinoni, G; Tantardini, G F

    2004-05-08

    We compare the efficiency of the Eley-Rideal (ER) reaction with the formation of hot-atom (HA) species in the simplest case, i.e., the scattering of a projectile off a single adsorbate, considering the Hydrogen and Hydrogen-on-Ni(100) system. We use classical mechanics and the accurate embedded diatomics-in-molecules potential to study the collision system over a wide range of collision energies (0.10-1.50 eV), both with a rigid and a nonrigid Ni substrate and for impact on the occupied and neighboring empty cells. In the rigid model metastable and truly bound hot-atoms occur and we find that the cross section for the formation of bound hot-atoms is considerably higher than that for the ER reaction over the whole range of collision energies examined. Metastable hot-atoms form because of the inefficient energy transfer to the adsorbate and have lifetimes of the order 0.1-0.7 ps, depending on the collision energy. When considering the effects of lattice vibrations we find, on average, a consistent energy transfer to the substrate, say 0.1-0.2 eV, which forced us to devise a two-step dynamical model to get rid of the problems associated with the use of periodic boundary conditions. Results for long-lived HA formation due to scattering on the occupied cell at a surface temperature of 120 K agree well with those of the rigid model, suggesting that in the above process the substrate plays only a secondary role and further calculations at surface temperatures of 50 and 300 K are in line with these findings. However, considerably high cross sections for formation of long-lived hot-atoms result also from scattering off the neighboring cells where the energy transfer to the lattice cannot be neglected. Metastable hot-atoms are reduced in number and have usually lifetimes shorter than those of the rigid-model, say less than 0.3 ps. In addition, ER cross sections are only slightly affected by the lattice motion and show a little temperature dependence. Finally, we find also

  2. Influence of average ion energy and atomic oxygen flux per Si atom on the formation of silicon oxide permeation barrier coatings on PET

    NASA Astrophysics Data System (ADS)

    Mitschker, F.; Wißing, J.; Hoppe, Ch; de los Arcos, T.; Grundmeier, G.; Awakowicz, P.

    2018-04-01

    The respective effect of average incorporated ion energy and impinging atomic oxygen flux on the deposition of silicon oxide (SiO x ) barrier coatings for polymers is studied in a microwave driven low pressure discharge with additional variable RF bias. Under consideration of plasma parameters, bias voltage, film density, chemical composition and particle fluxes, both are determined relative to the effective flux of Si atoms contributing to film growth. Subsequently, a correlation with barrier performance and chemical structure is achieved by measuring the oxygen transmission rate (OTR) and by performing x-ray photoelectron spectroscopy. It is observed that an increase in incorporated energy to 160 eV per deposited Si atom result in an enhanced cross-linking of the SiO x network and, therefore, an improved barrier performance by almost two orders of magnitude. Furthermore, independently increasing the number of oxygen atoms to 10 500 per deposited Si atom also lead to a comparable barrier improvement by an enhanced cross-linking.

  3. On the linearity of fast atomic oxygen effects

    NASA Technical Reports Server (NTRS)

    Gregory, J. C.

    1993-01-01

    The effect of bombardment of 8 km per second atomic oxygen (AO) experienced by exposed surfaces of satellites in low Earth orbit must be considered in the selection of materials to be used in instruments and functional systems on these satellites. The degree of importance of the effects varies widely depending on the material, the application, and the exposure (fluence of atoms) to which it is to be subjected. Some highly erodible thin polymer film materials might be considered unacceptable on a long-lived space station, but may be perfectly serviceable on a normal shuttle flight. In order to determine the acceptability of a material for a particular environment, a designer must know the relationship between the magnitude of the effect (for example, mass-loss) and the magnitude of the fluence. To determine this relationship, we need data over a useful range of fluence. Until the return of the Long Duration Exposure Facility (LDEF), the bulk of the data on materials effects was obtained from a few shuttle flights, and the bulk of that data from the flight of experiment Evaluation of Oxygen Interaction with Materials (EOIM-2) on STS-8 in 1983. EOIM-2 obtained a fluence of 3.5 x 10(exp 20) atoms cm(exp -2), while the LDEF fluence approached 10(exp 22) atoms cm(exp -2), or about 30 times greater. Although other flight exposures had been obtained with lower fluences, considerable uncertainty was attached to these results because of the possibility of large relative systematic errors and of other factors such as sweeping angle of attack. In the future, it is hoped that simulation facilities in the laboratory will allow testing of materials without the necessity of flying them in space. In addition, if the relationship of effect with oxygen fluence is well determined, it should not be necessary to expose a material for an entire mission fluence. In this paper, we shall avoid a comparison of flight data with results from simulators, though that comparison is important for

  4. Molecular Ions in Ion Upflows and their Effects on Hot Atomic Oxygen Production

    NASA Astrophysics Data System (ADS)

    Foss, V.; Yau, A. W.; Shizgal, B.

    2017-12-01

    We present new direct ion composition observations of molecular ions in auroral ion upflows from the CASSIOPE Enhanced Polar Outflow Probe (e-POP). These observed molecular ions are N2+, NO+, and possibly O2+, and are found to occur at all e-POP altitudes starting at about 400 km, during auroral substorms and the different phases of magnetic storms, sometimes with upflow velocities exceeding a few hundred meters per second and abundances of 5-10%. The dissociative recombination of both O2+ and NO+ was previously proposed as an important source of hot oxygen atoms in the topside thermosphere [Hickey et al., 1995]. We investigate the possible effect of the observed molecular ions on the production of hot oxygen atoms in the storm and substorm-time auroral thermosphere. We present numerical solutions of the Boltzmann equation for the steady-state oxygen energy distribution function, taking into account both the production of the hot atoms and their subsequent collisional relaxation. Our result suggests the formation of a hot oxygen population with a characteristic temperature on the order of 0.3 eV and constituting 1-5% of the oxygen density near the exobase. We discuss the implication of this result in the context of magnetosphere-ionosphere-thermosphere coupling.

  5. Use of Atomic Oxygen for Increased Water Contact Angles of Various Polymers for Biomedical Applications

    NASA Technical Reports Server (NTRS)

    deGroh, Kim; Berger, Lauren; Roberts, Lily

    2009-01-01

    The purpose of this study was to determine the effect of atomic oxygen (AO) exposure on the hydrophilicity of nine different polymers for biomedical applications. Atomic oxygen treatment can alter the chemistry and morphology of polymer surfaces, which may increase the adhesion and spreading of cells on Petri dishes and enhance implant growth. Therefore, nine different polymers were exposed to atomic oxygen and water-contact angle, or hydrophilicity, was measured after exposure. To determine whether hydrophilicity remains static after initial atomic oxygen exposure, or changes with higher fluence exposures, the contact angles between the polymer and water droplet placed on the polymer s surface were measured versus AO fluence. The polymers were exposed to atomic oxygen in a 100-W, 13.56-MHz radio frequency (RF) plasma asher, and the treatment was found to significantly alter the hydrophilicity of non-fluorinated polymers. Pristine samples were compared with samples that had been exposed to AO at various fluence levels. Minimum and maximum fluences for the ashing trials were set based on the effective AO erosion of a Kapton witness coupon in the asher. The time intervals for ashing were determined by finding the logarithmic values of the minimum and maximum fluences. The difference of these two values was divided by the desired number of intervals (ideally 10). The initial desired fluence was then multiplied by this result (2.37), as was each subsequent desired fluence. The flux in the asher was determined to be approximately 3.0 x 10(exp 15) atoms/sq cm/sec, and each polymer was exposed to a maximum fluence of 5.16 x 10(exp 20) atoms/sq cm.

  6. The effects of atomic oxygen on the thermal emittance of high temperature radiator surfaces

    NASA Technical Reports Server (NTRS)

    Rutledge, Sharon K.; Hotes, Deborah L.; Paulsen, Phillip E.

    1989-01-01

    Radiator surfaces on high temperature space power systems such as SP-100 space nuclear power system must maintain a high emittance level in order to reject waste heat effectively. One of the primary materials under consideration for the radiators is carbon-carbon composite. Since carbon is susceptible to attack by atomic oxygen in the low earth orbital environment, it is important to determine the durability of carbon composites in this environment as well as the effect atomic oxygen has on the thermal emittance of the surface if it is to be considered for use as a radiator. Results indicate that the thermal emittance of carbon-carbon composite (as low as 0.42) can be enhanced by exposure to a directed beam of atomic oxygen to levels above 0.85 at 800 K. This emittance enhancement is due to a change in the surface morphology as a result of oxidation. High aspect ratio cones are formed on the surface which allow more efficient trapping of incident radiation. Erosion of the surface due to oxidation is similar to that for carbon, so that at altitudes less than approximately 600 km, thickness loss of the radiator could be significant (as much as 0.1 cm/year). A protective coating or oxidation barrier forming additive may be needed to prevent atomic oxygen attack after the initial high emittance surface is formed. Textured surfaces can be formed in ground based facilities or possibly in space if emittance is not sensitive to the orientation of the atomic oxygen arrival that forms the texture.

  7. Proposed reference models for atomic oxygen in the terrestrial atmosphere

    NASA Technical Reports Server (NTRS)

    Llewellyn, E. J.; Mcdade, I. C.; Lockerbie, M. D.

    1989-01-01

    A provisional Atomic Oxygen Reference model was derived from average monthly ozone profiles and the MSIS-86 reference model atmosphere. The concentrations are presented in tabular form for the altitude range 40 to 130 km.

  8. Consequences of Atomic Oxygen Interaction With Silicone and Silicone Contamination on Surfaces in Low Earth Orbit

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.; deGroh, Kim K.; Rutledge, Sharon K.; Haytas, Christy A.

    1999-01-01

    The exposure of silicones to atomic oxygen in low Earth orbit causes oxidation of the surface, resulting in conversion of silicone to silica. This chemical conversion increases the elastic modulus of the surface and initiates the development of a tensile strain. Ultimately, with sufficient exposure, tensile strain leads to cracking of the surface enabling the underlying unexposed silicone to be converted to silica resulting in additional depth and extent of cracking. The use of silicone coatings for the protection of materials from atomic oxygen attack is limited because of the eventual exposure of underlying unprotected polymeric material due to deep tensile stress cracking of the oxidized silicone. The use of moderate to high volatility silicones in low Earth orbit has resulted in a silicone contamination arrival at surfaces which are simultaneously being bombarded with atomic oxygen, thus leading to conversion of the silicone contaminant to silica. As a result of these processes, a gradual accumulation of contamination occurs leading to deposits which at times have been up to several microns thick (as in the case of a Mir solar array after 10 years in space). The contamination species typically consist of silicon, oxygen and carbon. which in the synergistic environment of atomic oxygen and UV radiation leads to increased solar absorptance and reduced solar transmittance. A comparison of the results of atomic oxygen interaction with silicones and silicone contamination will be presented based on the LDEF, EOIM-111, Offeq-3 spacecraft and Mir solar array in-space results. The design of a contamination pin-hole camera space experiment which uses atomic oxygen to produce an image of the sources of silicone contamination will also be presented.

  9. Removal of Biologically Active Organic Contaminants using Atomic Oxygen

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A. (Inventor); Banks, Michael A. (Inventor); Banks, Eric B. (Inventor)

    2003-01-01

    Biomedical devices that are to come into contact with living tissue, such as prosthetic and other implants for the human body and the containers used to store and transport them, are together cleaned of non-living, but biologically active organic materials, including endotoxins such as lipopolysaccharides, and assembled into a hermetically sealed package without recontamination. This is achieved by cleaning both the device and package components together in an apparatus, which includes a hermetically sealed chamber, in which they are contacted with atomic oxygen which biocleans them, by oxidizing the biologically active organic materials. The apparatus also includes means for manipulating the device and container and hermetically sealing the cleaned device into the cleaned container to form the package. A calibrated witness coupon visually indicates whether or not the device and container have received enough exposure to the atomic oxygen to have removed the organic materials from their surfaces. Gamma radiation is then used to sterilize the device in the sealed container.

  10. Simulations of noble gases adsorbed on graphene

    NASA Astrophysics Data System (ADS)

    Maiga, Sidi; Gatica, Silvina

    2014-03-01

    We present results of Grand Canonical Monte Carlo simulations of adsorption of Kr, Ar and Xe on a suspended graphene sheet. We compute the adsorbate-adsorbate interaction by a Lennard-Jones potential. We adopt a hybrid model for the graphene-adsorbate force; in the hybrid model, the potential interaction with the nearest carbon atoms (within a distance rnn) is computed with an atomistic pair potential Ua; for the atoms at r>rnn, we compute the interaction energy as a continuous integration over a carbon uniform sheet with the density of graphene. For the atomistic potential Ua, we assume the anisotropic LJ potential adapted from the graphite-He interaction proposed by Cole et.al. This interaction includes the anisotropy of the C atoms on graphene, which originates in the anisotropic π-bonds. The adsorption isotherms, energy and structure of the layer are obtained and compared with experimental results. We also compare with the adsorption on graphite and carbon nanotubes. This research was supported by NSF/PRDM (Howard University) and NSF (DMR 1006010).

  11. Self-assembly of acetate adsorbates drives atomic rearrangement on the Au(110) surface

    PubMed Central

    Hiebel, Fanny; Shong, Bonggeun; Chen, Wei; Madix, Robert J.; Kaxiras, Efthimios; Friend, Cynthia M.

    2016-01-01

    Weak inter-adsorbate interactions are shown to play a crucial role in determining surface structure, with major implications for its catalytic reactivity. This is exemplified here in the case of acetate bound to Au(110), where the small extra energy of the van der Waals interactions among the surface-bound groups drives massive restructuring of the underlying Au. Acetate is a key intermediate in electro-oxidation of CO2 and a poison in partial oxidation reactions. Metal atom migration originates at surface defects and is likely facilitated by weakened Au–Au interactions due to bonding with the acetate. Even though the acetate is a relatively small molecule, weak intermolecular interaction provides the energy required for molecular self-assembly and reorganization of the metal surface. PMID:27731407

  12. Absolute photoionization cross sections of atomic oxygen

    NASA Technical Reports Server (NTRS)

    Samson, J. A. R.; Pareek, P. N.

    1982-01-01

    The absolute values of photoionization cross sections of atomic oxygen were measured from the ionization threshold to 120 A. An auto-ionizing resonance belonging to the 2S2P4(4P)3P(3Do, 3So) transition was observed at 479.43 A and another line at 389.97 A. The experimental data is in excellent agreement with rigorous close-coupling calculations that include electron correlations in both the initial and final states.

  13. Absolute photoionization cross sections of atomic oxygen

    NASA Technical Reports Server (NTRS)

    Samson, J. A. R.; Pareek, P. N.

    1985-01-01

    The absolute values of photoionization cross sections of atomic oxygen were measured from the ionization threshold to 120 A. An auto-ionizing resonance belonging to the 2S2P4(4P)3P(3Do, 3So) transition was observed at 479.43 A and another line at 389.97 A. The experimental data is in excellent agreement with rigorous close-coupling calculations that include electron correlations in both the initial and final states.

  14. Poorly crystalline hydroxyapatite: A novel adsorbent for enhanced fulvic acid removal from aqueous solution

    NASA Astrophysics Data System (ADS)

    Wei, Wei; Yang, Lei; Zhong, Wenhui; Cui, Jing; Wei, Zhenggui

    2015-03-01

    In this study, poorly crystalline hydroxyapatite (HAP) was developed as an efficient adsorbent for the removal of fulvic acid (FA) from aqueous solution. Surface functionality, crystallinity, and morphology of the synthetic adsorbent were studied by Fourier-transformation infrared (FT-IR) spectroscopy, powder X-ray diffraction (XRD) and transmission electron microscopy (TEM). The effects of various parameters such as crystallinity of adsorbent, contact time, adsorbent dosage, pH, initial adsorbate concentration, temperature, ionic strength and the presence of alkaline earth metal ions on FA adsorption were investigated. Results indicated that the nanosized HAP calcined at lower temperature was poorly crystalline (Xc = 0.23) and had better adsorption capacity for FA than those (Xc = 0.52, 0.86) calcined at higher temperature. FA removal was increased with increases of adsorbent dosage, temperature, ionic strength and the presence of alkali earth metal ions, but decreased as the pH increased. Kinetic studies showed that pseudo-second-order kinetic model better described the adsorption process. Equilibrium data were best described by Sips models, and the estimated maximum adsorption capacity of poorly crystalline HAP was 90.20 mg/g at 318 K, displaying higher efficiency for FA removal than previously reported adsorbents. FT-IR results revealed that FA adsorption over the adsorbent could be attributed to the surface complexation between the oxygen atom of functional groups of FA and calcium ions of HAP. Regeneration studies indicated that HAP could be recyclable for a long term. Findings of the present work highlight the potential for using poorly crystalline HAP nanoparticles as an effective and recyclable adsorbent for FA removal from aqueous solution.

  15. Synergistic effects of ultraviolet radiation, thermal cycling and atomic oxygen on altered and coated Kapton surfaces

    NASA Technical Reports Server (NTRS)

    Dever, Joyce A.; Bruckner, Eric J.; Rodriguez, Elvin

    1992-01-01

    The photovoltaic (PV) power system for Space Station Freedom (SSF) uses solar array blankets which provide structural support for the solar cells and house the electrical interconnections. In the low earth orbital (LEO) environment where SSF will be located, surfaces will be exposed to potentially damaging environmental conditions including solar ultraviolet (UV) radiation, thermal cycling, and atomic oxygen. It is necessary to use ground based tests to determine how these environmental conditions would affect the mass loss and optical properties of candidate SSF blanket materials. Silicone containing, silicone coated, and SiO(x) coated polyimide film materials were exposed to simulated LEO environmental conditions to determine their durability and whether the environmental conditions of UV, thermal cycling and oxygen atoms act synergistically on these materials. A candidate PV blanket material called AOR Kapton, a polysiloxane polyimide cast from a solution mixture, shows an improvement in durability to oxygen atoms erosion after exposure to UV radiation or thermal cycling combined with UV radiation. This may indicate that the environmental conditions react synergistically with this material, and the damage predicted by exposure to atomic oxygen alone is more severe than that which would occur in LEO where atomic oxygen, thermal cycling and UV radiation are present together.

  16. ZnO synthesis by high vacuum plasma-assisted chemical vapor deposition using dimethylzinc and atomic oxygen

    NASA Astrophysics Data System (ADS)

    Barnes, Teresa M.; Hand, Steve; Leaf, Jackie; Wolden, Colin A.

    2004-09-01

    Zinc oxide thin films were produced by high vacuum plasma-assisted chemical vapor deposition (HVP-CVD) from dimethylzinc (DMZn) and atomic oxygen. HVP-CVD is differentiated from conventional remote plasma-enhanced CVD in that the operating pressures of the inductively coupled plasma (ICP) source and the deposition chamber are decoupled. Both DMZn and atomic oxygen effuse into the deposition chamber under near collisionless conditions. The deposition rate was measured as a function of DMZn and atomic oxygen flux on glass and silicon substrates. Optical emission spectroscopy and quadrupole mass spectrometry (QMS) were used to provide real time analysis of the ICP source and the deposition chamber. The deposition rate was found to be first order in DMZn pressure and zero order in atomic oxygen density. All films demonstrated excellent transparency and were preferentially orientated along the c-axis. The deposition chemistry occurs exclusively through surface-mediated reactions, since the collisionless transport environment eliminates gas-phase chemistry. QMS analysis revealed that DMZn was almost completely consumed, and desorption of unreacted methyl radicals was greatly accelerated in the presence of atomic oxygen. Negligible zinc was detected in the gas phase, suggesting that Zn was efficiently consumed on the substrate and walls of the reactor.

  17. Synergistic effects of ultraviolet radiation, thermal cycling, and atomic oxygen on altered and coated Kapton surfaces

    NASA Technical Reports Server (NTRS)

    Dever, Joyce A.; Bruckner, Eric J.; Rodriguez, Elvin

    1992-01-01

    The photovoltaic (PV) power system for Space Station Freedom (SSF) uses solar array blankets which provide structural support for the solar cells and house the electrical interconnections. In the low Earth orbital (LEO) environment where SSF will be located, surfaces will be exposed to potentially damaging environmental conditions including solar ultraviolet (UV) radiation, thermal cycling, and atomic oxygen. It is necessary to use ground based tests to determine how these environmental conditions would affect the mass loss and optical properties of candidate SSF blanket materials. Silicone containing, silicone coated, and SiO(x) coated polyimide film materials were exposed to simulated LEO environmental conditions to determine there durability and whether the environmental conditions of UV, thermal cycling and oxygen atoms act synergistically on these materials. A candidate PV blanket material called AOR Kapton, a polysiloxane polyimide cast from a solution mixture, shows an improvement in durability to oxygen atoms erosion after exposure to UV radiation or thermal cycling combined with UV radiation. This may indicate that the environmental conditions react synergistically with this material, and the damage predicted by exposure to atomic oxygen alone is more severe than that which would occur in LEO where atomic oxygen, thermal cycling and UV radiation are present together.

  18. Rates and mechanisms of the atomic oxygen reaction with nickel at elevated temperatures

    NASA Technical Reports Server (NTRS)

    Christian, J. D.; Gilbreath, W. P.

    1973-01-01

    The oxidation of nickel by atomic oxygen at pressure from 1 to 45 N/sq m between 1050 and 1250 K was investigated. In these ranges, the oxidation was found to follow the parobolic rate law, viz., K sub p = 0.0000114 exp(-13410/T) g squared/cm4/sec for films of greater than 1 micron thickness and was pressure independent. The activation enthalpy for the oxidation reaction was 112 + or - 11 kj/mole (27 + or - 3 kcal/mole). Of a number of possible mechanisms and defect structures considered, it was shown that the most likely was a saturated surface defect model for atomic oxidation, based on reaction activation enthalpies, impurity effects, pressure independence, and magnitudes of rates. A model judged somewhat less likely was one having doubly ionized cationic defects rate controlling in both atomic and molecular oxygen. From comparisons of the appropriate processes, the following enthalpy values were derived: enthalpy of activation (Ni diffusion in Ni0) = 110 + or - 30 kj/mole and standard enthalpy change for reaction formation (doubly ionized cation vacancies in Ni0 from atomic oxygen)= -9 + or - 25 kj/mole.

  19. Engineering Single-Atom Cobalt Catalysts toward Improved Electrocatalysis.

    PubMed

    Wan, Gang; Yu, Pengfei; Chen, Hangrong; Wen, Jianguo; Sun, Cheng-Jun; Zhou, Hua; Zhang, Nian; Li, Qianru; Zhao, Wanpeng; Xie, Bing; Li, Tao; Shi, Jianlin

    2018-04-01

    The development of cost-effective catalysts to replace noble metal is attracting increasing interests in many fields of catalysis and energy, and intensive efforts are focused on the integration of transition-metal sites in carbon as noble-metal-free candidates. Recently, the discovery of single-atom dispersed catalyst (SAC) provides a new frontier in heterogeneous catalysis. However, the electrocatalytic application of SAC is still subject to several theoretical and experimental limitations. Further advances depend on a better design of SAC through optimizing its interaction with adsorbates during catalysis. Here, distinctive from previous studies, favorable 3d electronic occupation and enhanced metal-adsorbates interactions in single-atom centers via the construction of nonplanar coordination is achieved, which is confirmed by advanced X-ray spectroscopic and electrochemical studies. The as-designed atomically dispersed cobalt sites within nonplanar coordination show significantly improved catalytic activity and selectivity toward the oxygen reduction reaction, approaching the benchmark Pt-based catalysts. More importantly, the illustration of the active sites in SAC indicates metal-natured catalytic sites and a media-dependent catalytic pathway. Achieving structural and electronic engineering on SAC that promotes its catalytic performances provides a paradigm to bridge the gap between single-atom catalysts design and electrocatalytic applications. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. [Studies on organic protective coatings for anti-atomic oxygen effects by spectrum analysis].

    PubMed

    Zhang, Lei

    2004-11-01

    This paper describes organic protective coatings on space material for anti-AO effects and the experiments to assess properties of the coatings. Organic protection was analyzed after exposures to ground state fast atomic (AO) radiation in the atomic oxygen beam facility for ground simulation experiments. The tests results have been analyzed with advanced FTIR, XPS and SEM. The test indicated that epoxy, alkyd and urethane organic coatings were highly reactive to AO with a strong degradation and changed in morphology of the surface layer. It is evident that siloxane coatings have excellent properties for anti-AO effects. The erosion product has SiO2 left on the surface, thus providing protection from further attack by the energetic oxygen atoms.

  1. Controlling stray electric fields on an atom chip for experiments on Rydberg atoms

    NASA Astrophysics Data System (ADS)

    Davtyan, D.; Machluf, S.; Soudijn, M. L.; Naber, J. B.; van Druten, N. J.; van Linden van den Heuvell, H. B.; Spreeuw, R. J. C.

    2018-02-01

    Experiments handling Rydberg atoms near surfaces must necessarily deal with the high sensitivity of Rydberg atoms to (stray) electric fields that typically emanate from adsorbates on the surface. We demonstrate a method to modify and reduce the stray electric field by changing the adsorbate distribution. We use one of the Rydberg excitation lasers to locally affect the adsorbed dipole distribution. By adjusting the averaged exposure time we change the strength (with the minimal value less than 0.2 V /cm at 78 μ m from the chip) and even the sign of the perpendicular field component. This technique is a useful tool for experiments handling Rydberg atoms near surfaces, including atom chips.

  2. A technique for synergistic atomic oxygen and vacuum ultraviolet radiation durability evaluation of materials for use in LEO

    NASA Technical Reports Server (NTRS)

    Rutledge, Sharon K.; Banks, Bruce A.

    1996-01-01

    Material erosion data collected during flight experiments such as the Environmental Oxygen Interaction with Materials (EOIM)-3 and the Long Duration Exposure Facility (LDEF) have raised questions as to the sensitivity of material erosion to levels of atomic oxygen exposure and vacuum ultraviolet (VUV) radiation. The erosion sensitivity of some materials such as FEP Teflon used as a thermal control material on satellites in low Earth orbit (LEO), is particularly important but difficult to determine. This is in large part due to the inability to hold all but one exposure parameter constant during a flight experiment. This is also difficult to perform in a ground based facility, because often the variation of the level of atomic oxygen or VUV radiation also results in a change in the level of the other parameter. A facility has been developed which allows each parameter to be changed almost independently and offer broad area exposure. The resulting samples can be made large enough for mechanical testing. The facility uses an electron cyclotron resonance plasma source to provide the atomic oxygen. A series of glass plates is used to focus the atomic oxygen while filtering the VUV radiation from the plasma source. After filtering, atomic oxygen effective flux levels can still be measured which are as high as 7 x 10(exp 15) atoms/cm(exp 2)-sec which is adequate for accelerated testing. VUV radiation levels after filtering can be as low as 0.3 suns. Additional VUV suns can be added with the use of deuterium lamps which allow the VUV level to be changed while keeping the flux of atomic oxygen constant. This paper discusses the facility, and results from exposure of Kapton and FEP at pre-determined atomic oxygen flux and VUV sun levels.

  3. Reaction Mechanism of Oxygen Atoms with Unsaturated Hydrocarbons by the Crossed-Molecular-Beams Method

    DOE R&D Accomplishments Database

    Buss, R. J.; Baseman, R. J.; Guozhong, H.; Lee, Y. T.

    1982-04-01

    From a series of studies of the reaction of oxygen atoms with unsaturated hydrocarbons using the crossed molecular beam method, the dominant reaction mechanisms were found to be the simple substitution reactions with oxygen atoms replacing H, Cl, Br atom or alkyl groups. Complication due to secondary reaction was avoided by carrying out experiments under single collisions and observing primary products directly. Primary products were identified by measuring the angular and velocity distributions of products at all the mass numbers which could be detected by the mass spectrometer, and from comparison of these distributions, applying the requirement of energy and momentum conservation.

  4. Durability Issues for the Protection of Materials from Atomic Oxygen Attack in Low Earth Orbit

    NASA Astrophysics Data System (ADS)

    Banks, B. A.; Lenczewski, M.; Demko, R.

    2002-01-01

    Low Earth orbital atomic oxygen is capable of eroding most polymeric materials typically used on spacecraft. Solar array blankets, thermal control polymers, and carbon fiber matrix composites are readily oxidized to become thinner and less capable of supporting the loads imposed upon them. Protective coatings have been developed that are or become durable to atomic oxygen to prevent oxidative erosion of the underlying polymers. However, the details of the chemistry, surface roughness and coating configuration can play a significant role as to whether or not the coating provides long duration atomic oxygen protection. Identical coatings on different surface roughness surfaces can produce drastically have drastically different durability results. Poor choice of protective coatings or self-protecting materials can also result in contamination of surrounding spacecraft surfaces. Such contamination can deposit on optical or thermal control surfaces resulting in changes in solar absorbtance, transmittance and reflectance of surfaces. Examples of successful and unsuccessful techniques used for atomic oxygen durability or protection will be presented based on actual results from low Earth orbital spacecraft. Investigations of the causes of undesired consequences or protective coating failures will be presented including ground laboratory experimental analysis as well as computational modeling. Atomic oxygen protective coating results from various low Earth orbital missions including the Long Duration Exposure Facility, the European Retrievable Carrier, Mir, and International Space Station will be presented to illustrate examples of protection successes as well as failures including analyses of the causes for the differences and proposed solutions.

  5. Atomic oxygen beam source for erosion simulation

    NASA Technical Reports Server (NTRS)

    Cuthbertson, J. W.; Langer, W. D.; Motley, R. W.; Vaughn, J. A.

    1991-01-01

    A device for the production of low energy (3 to 10 eV) neutral atomic beams for surface modification studies is described that reproduces the flux of atomic oxygen in low Earth orbit. The beam is produced by the acceleration of plasma ions onto a negatively biased plate of high-Z metal; the ions are neutralized and reflected by the surface, retaining some fraction of their incident kinetic energy, forming a beam of atoms. The plasma is generated by a coaxial RF exciter which produces a magnetically-confined (4 kG) plasma column. At the end of the column, ions fall through the sheath to the plate, whose bias relative to the plasma can be varied to adjust the beam energy. The source provides a neutral flux approximately equal to 5 x 10(exp 16)/sq cm at a distance of 9 cm and a fluence approximately equal to 10(exp 20)/sq cm in five hours. The composition and energy of inert gas beams was diagnosed using a mass spectometer/energy analyzer. The energy spectra of the beams demonstrate energies in the range 5 to 15 eV, and qualitatively show expected dependences upon incident and reflecting atom species and potential drop. Samples of carbon film, carbon-based paint, Kapton, mylar, and teflon exposed to atomic O beams show erosion quite similar to that observed in orbit on the space shuttle.

  6. Work function variation of MoS{sub 2} atomic layers grown with chemical vapor deposition: The effects of thickness and the adsorption of water/oxygen molecules

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kim, Jong Hun; Kim, Jae Hyeon; Park, Jeong Young, E-mail: peterlee@skku.edu, E-mail: jeongypark@kaist.ac.kr

    2015-06-22

    The electrical properties of two-dimensional atomic sheets exhibit remarkable dependences on layer thickness and surface chemistry. Here, we investigated the variation of the work function properties of MoS{sub 2} films prepared with chemical vapor deposition (CVD) on SiO{sub 2} substrates with the number of film layers. Wafer-scale CVD MoS{sub 2} films with 2, 4, and 12 layers were fabricated on SiO{sub 2}, and their properties were evaluated by using Raman and photoluminescence spectroscopies. In accordance with our X-ray photoelectron spectroscopy results, our Kelvin probe force microscopy investigation found that the surface potential of the MoS{sub 2} films increases by ∼0.15 eVmore » when the number of layers is increased from 2 to 12. Photoemission spectroscopy (PES) with in-situ annealing under ultra high vacuum conditions was used to directly demonstrate that this work function shift is associated with the screening effects of oxygen or water molecules adsorbed on the film surface. After annealing, it was found with PES that the surface potential decreases by ∼0.2 eV upon the removal of the adsorbed layers, which confirms that adsorbed species have a role in the variation in the work function.« less

  7. Longitudinal structure in atomic oxygen concentrations observed with WINDII on UARS. [Wind Imaging Interferometer

    NASA Technical Reports Server (NTRS)

    Shepherd, G. G.; Thuillier, G.; Solheim, B. H.; Chandra, S.; Cogger, L. L.; Duboin, M. L.; Evans, W. F. J.; Gattinger, R. L.; Gault, W. A.; Herse, M.

    1993-01-01

    WINDII, the Wind Imaging Interferometer on the Upper Atmosphere Research Satellite, began atmospheric observations on September 28, 1991 and since then has been collecting data on winds, temperatures and emissions rates from atomic, molecular and ionized oxygen species, as well as hydroxyl. The validation of winds and temperatures is not yet complete, and scientific interpretation has barely begun, but the dominant characteristic of these data so far is the remarkable structure in the emission rate from the excited species produced by the recombination of atomic oxygen. The latitudinal and temporal variability has been noted before by many others. In this preliminary report on WINDII results we draw attention to the dramatic longitudinal variations of planetary wave character in atomic oxygen concentration, as reflected in the OI 557.7 nm emission, and to similar variations seen in the Meine1 hydroxyl band emission.

  8. A high flux pulsed source of energetic atomic oxygen. [for spacecraft materials ground testing

    NASA Technical Reports Server (NTRS)

    Krech, Robert H.; Caledonia, George E.

    1986-01-01

    The design and demonstration of a pulsed high flux source of nearly monoenergetic atomic oxygen are reported. In the present test setup, molecular oxygen under several atmospheres of pressure is introduced into an evacuated supersonic expansion nozzle through a pulsed molecular beam valve. A 10J CO2 TEA laser is focused to intensities greater than 10 to the 9th W/sq cm in the nozzle throat, generating a laser-induced breakdown with a resulting 20,000-K plasma. Plasma expansion is confined by the nozzle geometry to promote rapid electron-ion recombination. Average O-atom beam velocities from 5-13 km/s at fluxes up to 10 to the 18th atoms/pulse are measured, and a similar surface oxygen enrichment in polyethylene samples to that obtained on the STS-8 mission is found.

  9. Atomic Oxygen Cleaning Shown to Remove Organic Contaminants at Atmospheric Pressure

    NASA Technical Reports Server (NTRS)

    Rutledge, Sharon K.

    1998-01-01

    The NASA Lewis Research Center has developed and filed for a patent on a method to produce atomic oxygen at atmospheric pressure by using a direct current arc in a gas flow mixture of oxygen and helium. A prototype device has been tested for its ability to remove various soot residues from surfaces exposed to fire, and various varnishes such as acrylic and egg white.

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

    NASA Astrophysics Data System (ADS)

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

    2018-06-01

    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 and 100 K. After dosing the reactants on to 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.

  11. Structural and elastic properties and stability characteristics of oxygenated carbon nanotubes under physical adsorption of polymers

    NASA Astrophysics Data System (ADS)

    Ansari, R.; Ajori, S.; Rouhi, S.

    2015-03-01

    The importance of covalent and non-covalent functionalization approaches for modification the properties of carbon nanotubes is being more widely recognized. To this end, elastic properties and buckling behavior of oxygenated CNT with atomic oxygen and hydroxyl under physical adsorption of PE (Polyethylene) and PEO (Poly (ethylene oxide)) are determined through employing the molecular dynamics (MD) simulations. The results demonstrate that non-covalent bonding of polymer on the surface of oxygenated CNT causes reductions in the variations of critical buckling load and critical strain compared to oxygenated CNTs. Critical buckling load and critical strain of oxygenated CNT/polymer are higher than those of oxygenated CNT. Also, it is demonstrated that critical buckling load and critical strain values in the case of oxygenated CNT/polymer are independent of polymer type unlike the value of Young's modulus. It is shown that variations of Young's modulus decrease as PE adsorbed on the surface of oxygenated CNT. Moreover, the presence of oxygen atom on PEO chain leads to bigger variations of Young's modulus with weight percentage of chemisorbed component, i.e. atomic oxygen and hydroxyl. It is also demonstrated that Young's modulus reduces more considerably in the presence of PEO chain compared to PE one.

  12. Effects of combined irradiation of 500 keV protons and atomic oxygen on polyimide films

    NASA Astrophysics Data System (ADS)

    Novikov, Lev; Chernik, Vladimir; Zhilyakov, Lev; Voronina, Ekaterina; Chirskaia, Natalia

    2016-07-01

    Polyimide films are widely used on the spacecraft surface as thermal control coating, films in different constuctions, etc. However, the space ionizing radiation of different types can alter the mechanical, optical and electrical properties of polyimide films. For example, it is well known that 20-100 keV proton irradiation causes breaking of chemical bonds and destruction of the surface layer in polyimide, deterioration of its optical properties, etc. In low-Earth orbits serious danger for polymeric materials is atomic oxygen of the upper atmosphere of the Earth, which is the main component in the range of heights of 200-800 km. Due to the orbital spacecraft velocity, the collision energy of oxygen atoms with the surface ( 5 eV) enhances their reactivity and opens additional pathways of their reaction with near-surface layers of materials. Hyperthermal oxygen atom flow causes erosion of the polyimide surface by breaking chemical bonds and forming of volatiles products (primarily, CO and CO _{2}), which leads to mass losses and degradation of material properties. Combined effect of protons and oxygen plasma is expected to give rise to synergistic effects enhancing the destruction of polyimide surface layers. This paper describes experimental investigation of polyimide films sequential irradiation with protons and oxygen plasma. The samples were irradiated by 500 keV protons at fluences of 10 ^{14}-10 ^{16} cm ^{-2} produced with SINP cascade generator KG-500 and 5-20 eV neutral oxygen atoms at fluence of 10 ^{20} cm ^{-2} generated by SINP magnetoplasmodynamics accelerator. The proton bombardment causes the decrease in optical transmission coefficient of samples, but their transmittance recovers partially after the exposure to oxygen plasma. The results of the comparative analysis of polyimide optical transmission spectra, Raman and XPS spectra obtained at different stages of the irradiation of samples, data on mass loss of samples due to erosion of the surface are

  13. Surface Chirality of Gly-Pro Dipeptide Adsorbed on a Cu(110) Surface.

    PubMed

    Cruguel, Hervé; Méthivier, Christophe; Pradier, Claire-Marie; Humblot, Vincent

    2015-07-01

    The adsorption of chiral Gly-Pro dipeptide on Cu(110) has been characterized by combining in situ polarization modulation infrared reflection absorption spectroscopy (PM-RAIRS) and X-ray photoelectron spectroscopy (XPS). The chemical state of the dipeptide, and its anchoring points and adsorption geometry, were determined at various coverage values. Gly-Pro molecules are present on Cu(110) in their anionic form (NH2 /COO(-)) and adsorb under a 3-point binding via both oxygen atoms of the carboxylate group and via the nitrogen atom of the amine group. Low-energy electron diffraction (LEED) and scanning tunneling microscopy (STM) have shown the presence of an extended 2D chiral array, sustained via intermolecular H-bonds interactions. Furthermore, due to the particular shape of the molecule, only one homochiral domain is formed, creating thus a truly chiral surface. © 2015 Wiley Periodicals, Inc.

  14. Atomic Oxygen Abundance in Molecular Clouds: Absorption Toward Sagittarius B2

    NASA Technical Reports Server (NTRS)

    Lis, D. C.; Keene, Jocelyn; Phillips, T. G.; Schilke, P.; Werner, M. W.; Zmuidzinas, J.

    2001-01-01

    We have obtained high-resolution (approximately 35 km/s) spectra toward the molecular cloud Sgr B2 at 63 micrometers, the wavelength of the ground-state fine-structure line of atomic oxygen (O(I)), using the ISO-LWS instrument. Four separate velocity components are seen in the deconvolved spectrum, in absorption against the dust continuum emission of Sgr B2. Three of these components, corresponding to foreground clouds, are used to study the O(I) content of the cool molecular gas along the line of sight. In principle, the atomic oxygen that produces a particular velocity component could exist in any, or all, of three physically distinct regions: inside a dense molecular cloud, in the UV illuminated surface layer (PDR) of a cloud, and in an atomic (H(I)) gas halo. For each of the three foreground clouds, we estimate, and subtract from the observed O(I) column density, the oxygen content of the H(I) halo gas, by scaling from a published high-resolution 21 cm spectrum. We find that the remaining O(I) column density is correlated with the observed (13)CO column density. From the slope of this correlation, an average [O(I)]/[(13)CO] ratio of 270 +/- 120 (3-sigma) is derived, which corresponds to [O(I)]/[(13)CO] = 9 for a CO to (13)CO abundance ratio of 30. Assuming a (13)CO abundance of 1x10(exp -6) with respect to H nuclei, we derive an atomic oxygen abundance of 2.7x10(exp -4) in the dense gas phase, corresponding to a 15% oxygen depletion compared to the diffuse ISM in our Galactic neighborhood. The presence of multiple, spectrally resolved velocity components in the Sgr B2 absorption spectrum allows, for the first time, a direct determination of the PDR contribution to the O(I) column density. The PDR regions should contain O(I) but not (13)CO, and would thus be expected to produce an offset in the O(I)-(13)CO correlation. Our data do not show such an offset, suggesting that within our beam O(I) is spatially coexistent with the molecular gas, as traced by (13)CO

  15. Self-assembly of acetate adsorbates drives atomic rearrangement on the Au(110) surface

    DOE PAGES

    Hiebel, Fanny; Shong, Bonggeun; Chen, Wei; ...

    2016-10-12

    Weak inter-adsorbate interactions are shown to play a crucial role in determining surface structure, with major implications for its catalytic reactivity. This is exemplified here in the case of acetate bound to Au(110), where the small extra energy of the van der Waals interactions among the surface-bound groups drives massive restructuring of the underlying Au. Acetate is a key intermediate in electro-oxidation of CO 2 and a poison in partial oxidation reactions. Metal atom migration originates at surface defects and is likely facilitated by weakened Au–Au interactions due to bonding with the acetate. Even though the acetate is a relativelymore » small molecule, weak intermolecular interaction provides the energy required for molecular self-assembly and reorganization of the metal surface.« less

  16. MISSE 6 Stressed Polymers Experiment Atomic Oxygen Erosion Data

    NASA Technical Reports Server (NTRS)

    deGroh, Kim K.; Banks, Bruce A.; Mitchell, Gianna G.; Yi, Grace T.; Guo, Aobo; Ashmeade, Claire C.; Roberts, Lily M.; McCarthy, Catherine E.; Sechkar, Edward A.

    2013-01-01

    Polymers and other oxidizable materials used on the exterior of spacecraft in the low Earth orbit (LEO) space environment can be eroded away by reaction with atomic oxygen (AO). For spacecraft design, it is important to know the LEO AO erosion yield, Ey (volume loss per incident oxygen atom), of materials susceptible to AO erosion. The Stressed Polymers Experiment was developed and flown as part of the Materials International Space Station Experiment 6 (MISSE 6) to compare the AO erosion yields of stressed and non-stressed polymers to determine if erosion is dependent upon stress while in LEO. The experiment contained 36 thin film polymer samples that were exposed to ram AO for 1.45 years. This paper provides an overview of the Stressed Polymers Experiment with details on the polymers flown, the characterization techniques used, the AO fluence, and the erosion yield results. The MISSE 6 data are compared to data for similar samples flown on previous MISSE missions to determine fluence or solar radiation effects on erosion yield.

  17. The interaction of atomic oxygen with thin copper films

    NASA Technical Reports Server (NTRS)

    Gibson, B. C.; Williams, J. R.; Fromhold, A. T., Jr.; Bozack, M. J.; Neely, W. C.; Whitaker, Ann F.

    1992-01-01

    A source of thermal, ground-state atomic oxygen has been used to expose thin copper films at a flux of 1.4 x 10 exp 17 atoms/sq cm s for times up to 50 min for each of five temperatures between 140 and 200 C. Rutherford backscattering spectroscopy was used to characterize the oxide formed during exposure. The observations are consistent with the oxide phase Cu2O. The time dependence and the temperature dependence of the oxide layer thickness can be described using oxide film growth theory based on rate limitation by diffusion. Within the time and temperature ranges of this study, the growth of the oxide layers is well described by the equation L(T,t) = 3.6 x 10 to 8th exp(- 1.1/2k sub B T)t exp 1/2, where L,T, and t are measured in angstroms, degrees Kelvin, and minutes, respectively. The deduced activation energy is 1.10 +/- 0.15 eV, with the attendant oxidation rate being greater than that for the corresponding reaction in molecular oxygen.

  18. Atomic oxygen ions as ionospheric biomarkers on exoplanets

    NASA Astrophysics Data System (ADS)

    Mendillo, Michael; Withers, Paul; Dalba, Paul A.

    2018-04-01

    The ionized form of atomic oxygen (O+) is the dominant ion species at the altitude of maximum electron density in only one of the many ionospheres in our Solar System — Earth's. This ionospheric composition would not be present if oxygenic photosynthesis was not an ongoing mechanism that continuously impacts the terrestrial atmosphere. We propose that dominance of ionospheric composition by O+ ions at the altitude of maximum electron density can be used to identify a planet in orbit around a solar-type star where global-scale biological activity is present. There is no absolute numerical value required for this suggestion of an atmospheric plasma biomarker — only the dominating presence of O+ ions at the altitude of peak electron density.

  19. Effect of oxygen atoms dissociated by non-equilibrium plasma on flame of methane oxygen and argon pre-mixture gas

    NASA Astrophysics Data System (ADS)

    Akashi, Haruaki; Yoshinaga, Tomokazu; Sasaki, Koichi

    2014-10-01

    For more efficient way of combustion, plasma-assisted combustion has been investigated by many researchers. But it is very difficult to clarify the effect of plasma even on the flame of methane. Because there are many complex chemical reactions in combustion system. Sasaki et al. has reported that the flame length of methane and air premixed burner shortened by irradiating microwave power. They also measured emission from Second Positive Band System of nitrogen during the irradiation. The emission indicates existence of high energy electrons which are accelerated by the microwave. The high energy electrons also dissociate oxygen molecules easily and oxygen atom would have some effects on the flame. But the dissociation ratio of oxygen molecules by the non-equilibrium plasma is significantly low, compared to that in the combustion reaction. To clarify the effect of dissociated oxygen atoms on the flame, dependence of dissociation ratio of oxygen on the flame has been examined using CHEMKIN. It is found that in the case of low dissociation ratio of 10-6, the ignition of the flame becomes slightly earlier. It is also found that in the case of high dissociation ratio of 10-3, the ignition time becomes significantly earlier by almost half. This work was supported by KAKENHI (22340170).

  20. Three-dimensional evaluation of gettering ability for oxygen atoms at small-angle tilt boundaries in Czochralski-grown silicon crystals

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ohno, Yutaka, E-mail: yutakaohno@imr.tohoku.ac.jp; Inoue, Kaihei; Fujiwara, Kozo

    2015-06-22

    Three-dimensional distribution of oxygen atoms at small-angle tilt boundaries (SATBs) in Czochralski-grown p-type silicon ingots was investigated by atom probe tomography combined with transmission electron microscopy. Oxygen gettering along edge dislocations composing SATBs, post crystal growth, was observed. The gettering ability of SATBs would depend both on the dislocation strain and on the dislocation density. Oxygen atoms would agglomerate in the atomic sites under the tensile hydrostatic stress larger than about 2.0 GPa induced by the dislocations. It was suggested that the density of the atomic sites, depending on the tilt angle of SATBs, determined the gettering ability of SATBs.

  1. Atomic Oxygen Density Retrievals using FUV Observations by the Imaging Ultraviolet Spectrograph on MAVEN

    NASA Astrophysics Data System (ADS)

    Evans, J. Scott; Stevens, Michael H.; Schneider, Nicholas M.; Stewart, Ian; Deighan, Justin; Jain, Sonal Kumar; Eparvier, Francis; Thiemann, E. M.; Bougher, Stephen W.; Jakosky, Bruce

    2016-10-01

    We present the first direct retrievals of neutral atomic oxygen in Mars's upper atmosphere using daytime FUV periapse limb scan observations from 130 - 200 km tangent altitude. Atmospheric composition is inferred using the Atmospheric Ultraviolet Radiance Integrated Code [Strickland et al., 1999] adapted to the Martian atmosphere [Evans et al., 2015]. For our retrievals we use O I 135.6 nm emission observed by IUVS on MAVEN under daytime conditions (solar zenith angle < 60 degrees) over both northern and southern hemispheres (latitudes between -65 and +35 degrees) from October 2014 to August 2016. We investigate the sensitivity of atomic oxygen density retrievals to variability in solar irradiance, solar longitude, and local time. We compare our retrievals to predictions from the Mars Global Ionosphere-Thermosphere Model [MGITM, Bougher et al., 2015] and the Mars Climate Database [MCD, Forget et al., 1999] and quantify the differences throughout the altitude region of interest. The retrieved densities are used to characterize global transport of atomic oxygen in the Martian thermosphere.

  2. Variable energy, high flux, ground-state atomic oxygen source

    NASA Technical Reports Server (NTRS)

    Chutjian, Ara (Inventor); Orient, Otto J. (Inventor)

    1987-01-01

    A variable energy, high flux atomic oxygen source is described which is comprised of a means for producing a high density beam of molecules which will emit O(-) ions when bombarded with electrons; a means of producing a high current stream of electrons at a low energy level passing through the high density beam of molecules to produce a combined stream of electrons and O(-) ions; means for accelerating the combined stream to a desired energy level; means for producing an intense magnetic field to confine the electrons and O(-) ions; means for directing a multiple pass laser beam through the combined stream to strip off the excess electrons from a plurality of the O(-) ions to produce ground-state O atoms within the combined stream; electrostatic deflection means for deflecting the path of the O(-) ions and the electrons in the combined stream; and, means for stopping the O(-) ions and the electrons and for allowing only the ground-state O atoms to continue as the source of the atoms of interest. The method and apparatus are also adaptable for producing other ground-state atoms and/or molecules.

  3. Atomic oxygen in the Martian thermosphere

    NASA Technical Reports Server (NTRS)

    Stewart, A. I. F.; Alexander, M. J.; Meier, R. R.; Paxton, L. J.; Bougher, S. W.; Fesen, C. G.

    1992-01-01

    The Mariner 9 Ultraviolet Spectrometer (UVS) made extensive observations of air-glow emissions from the thermosphere of Mars throughout the nominal mission (November 1971 - February 1972), during late summer in the southern hemisphere. Limb and disc measurements of the 130 nm triplet emission from thermospheric atomic oxygen were modelled by Strickland et al. Recently, the thermospheric general circulation models (TGCMs) developed for the Earth and Venus have been applied to Mars; we refer to it as the MTGCM. Our analysis shows that the oxygen mixing ratio is the fundamental unknown controlling the 130 nm brightness. Our radiative transport calculation shows that the emergent intensity at 130 nm is not very sensitive to variations in thermospheric temperature. The pattern of diurnal variation derived from our analysis is roughly the same as Strickland et al. although with somewhat lower values for the O mixing ratio. The main reasons for this difference are the more important role played by the photoelectron source in our model, and the somewhat larger 130 nm solar flux; thus, we require less oxygen to match the observed brightnesses. Strickland et al. also found that the OI 130 nm emission on Mars is correlated with solar activity. We find that the correlation is virtually non-existent during the early orbits when the planet was covered with a thick global dust storm, but later orbits, during the clearing of the storm, show a persistent correlation.

  4. Atomic oxygen effects on boron nitride and silicon nitride: A comparison of ground based and space flight data

    NASA Technical Reports Server (NTRS)

    Cross, J. B.; Lan, E. H.; Smith, C. A.; Whatley, W. J.

    1990-01-01

    The effects of atomic oxygen on boron nitride (BN) and silicon nitride (Si3N4) were evaluated in a low Earth orbit (LEO) flight experiment and in a ground based simulation facility. In both the inflight and ground based experiments, these materials were coated on thin (approx. 250A) silver films, and the electrical resistance of the silver was measured in situ to detect any penetration of atomic oxygen through the BN and Si3N4 materials. In the presence of atomic oxygen, silver oxidizes to form silver oxide, which has a much higher electrical resistance than pure silver. Permeation of atomic oxygen through BN, as indicated by an increase in the electrical resistance of the silver underneath, was observed in both the inflight and ground based experiments. In contrast, no permeation of atomic oxygen through Si3N4 was observed in either the inflight or ground based experiments. The ground based results show good qualitative correlation with the LEO flight results, indicating that ground based facilities such as the one at Los Alamos National Lab can reproduce space flight data from LEO.

  5. A comparison of ground-based and space flight data: Atomic oxygen reactions with boron nitride and silicon nitride

    NASA Technical Reports Server (NTRS)

    Cross, J. B.; Lan, E. H.; Smith, C. A.; Whatley, W. J.; Koontz, S. L.

    1990-01-01

    The effects of atomic oxygen on boron nitride (BN) and silicon nitride (Si3N4) have been studied in low Earth orbit (LEO) flight experiments and in a ground-based simulation facility at Los Alamos National Laboratory. Both the in-flight and ground-based experiments employed the materials coated over thin (approx 250 Angstrom) silver films whose electrical resistance was measured in situ to detect penetration of atomic oxygen through the BN and Si3N4 materials. In the presence of atomic oxygen, silver oxidizes to form silver oxide, which has a much higher electrical resistance than pure silver. Permeation of atomic oxygen through BN, as indicated by an increase in the electrical resistance of the silver underneath, was observed in both the in-flight and ground-based experiments. In contrast, no permeation of atomic oxygen through Si3N4 was observed in either the in-flight or ground-based experiments. The ground-based results show good qualitative correlation with the LEO flight results, thus validating the simulation fidelity of the ground-based facility in terms of reproducing LEO flight results.

  6. Milestone Report - Complete New Adsorbent Materials for Marine Testing to Demonstrate 4.5 g-U/kg Adsorbent

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Janke, Christopher James; Das, Sadananda; Oyola, Yatsandra

    2014-08-01

    This report describes work on the successful completion of Milestone M2FT-14OR03100115 (8/20/2014) entitled, “Complete new adsorbent materials for marine testing to demonstrate 4.5 g-U/kg adsorbent”. This effort is part of the Seawater Uranium Recovery Program, sponsored by the U.S. Department of Energy, Office of Nuclear Energy, and involved the development of new adsorbent materials at the Oak Ridge National Laboratory (ORNL) and marine testing at the Pacific Northwest National Laboratory (PNNL). ORNL has recently developed two new families of fiber adsorbents that have demonstrated uranium adsorption capacities greater than 4.5 g-U/kg adsorbent after marine testing at PNNL. One adsorbent wasmore » synthesized by radiation-induced graft polymerization of itaconic acid and acrylonitrile onto high surface area polyethylene fibers followed by amidoximation and base conditioning. This fiber showed a capacity of 4.6 g-U/kg adsorbent in marine testing at PNNL. The second adsorbent was prepared by atom-transfer radical polymerization of t-butyl acrylate and acrylonitrile onto halide-functionalized round fibers followed by amidoximation and base hydrolysis. This fiber demonstrated uranium adsorption capacity of 5.4 g-U/kg adsorbent in marine testing at PNNL.« less

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

    NASA Technical Reports Server (NTRS)

    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.

  8. Photoemission into water adsorbed on metals: Probing dissociative electron transfer using theory

    NASA Astrophysics Data System (ADS)

    Zhang, Yu; Whitten, J. L.

    The photoinduced dissociation of water adsorbed on a silver nanoparticle is explored using theory to probe reaction pathways that produce hydrogen. Ab initio configuration theory is used to describe the systems. A formulation that allows excited electronic states embedded in a near continuum of lower energy states to be calculated accurately is described. Electron attachment of a photoemitted electron to adsorbed water can lead to the formation of H2 at a very low energy barrier with oxygen remaining on the Ag surface. A large energy barrier to form H2 plus adsorbed O is found for the ground state. The excited state has a much smaller barrier to OH stretch; however, to dissociate, the system must cross over from the excited state to the ground state potential energy surface. The cross over point is near the transition state for a ground state process. A characteristic feature of the excited state potential curve is an increase in energy in the early stages of OH stretch as the charge transfer state evolves from a state with considerable Rydberg character to one that has a typical OH antibonding molecular orbital. Another pathway releases a H atom leaving OH on the surface. Effects due to doping of a Ag nanoparticle with a K electron donor atom are compared with those caused by a Fermi level shift due to an applied potential. Results are also reported for electron transfer to a solvated lithium ion, Li(H2O) 6+, near the surface of a silver particle. A steering mechanism is found that involves the interaction of a hydridic hydrogen formed after electron transfer with an acidic hydrogen of a second solvated water molecule.

  9. Atomic resolution chemical bond analysis of oxygen in La2CuO4

    NASA Astrophysics Data System (ADS)

    Haruta, M.; Nagai, T.; Lugg, N. R.; Neish, M. J.; Nagao, M.; Kurashima, K.; Allen, L. J.; Mizoguchi, T.; Kimoto, K.

    2013-08-01

    The distorted CuO6 octahedron in La2CuO4 was studied using aberration-corrected scanning transmission electron microscopy at atomic resolution. The near-edge structure in the oxygen K-edge electron energy-loss spectrum was recorded as a function of the position of the electron probe. After background subtraction, the measured spectrum image was processed using a recently developed inversion process to remove the mixing of signals on the atomic columns due to elastic and thermal scattering. The spectra were then compared with first-principles band structure calculations based on the local-density approximation plus on-site Coulomb repulsion (LDA + U) approach. In this article, we describe in detail not only anisotropic chemical bonding of the oxygen 2p state with the Cu 3d state but also with the Cu 4p and La 5d/4f states. Furthermore, it was found that buckling of the CuO2 plane was also detectable at the atomic resolution oxygen K-edge. Lastly, it was found that the effects of core-hole in the O K-edge were strongly dependent on the nature of the local chemical bonding, in particular, whether it is ionic or covalent.

  10. Atomic Oxygen Erosion Yield Predictive Tool for Spacecraft Polymers in Low Earth Orbit

    NASA Technical Reports Server (NTRS)

    Bank, Bruce A.; de Groh, Kim K.; Backus, Jane A.

    2008-01-01

    A predictive tool was developed to estimate the low Earth orbit (LEO) atomic oxygen erosion yield of polymers based on the results of the Polymer Erosion and Contamination Experiment (PEACE) Polymers experiment flown as part of the Materials International Space Station Experiment 2 (MISSE 2). The MISSE 2 PEACE experiment accurately measured the erosion yield of a wide variety of polymers and pyrolytic graphite. The 40 different materials tested were selected specifically to represent a variety of polymers used in space as well as a wide variety of polymer chemical structures. The resulting erosion yield data was used to develop a predictive tool which utilizes chemical structure and physical properties of polymers that can be measured in ground laboratory testing to predict the in-space atomic oxygen erosion yield of a polymer. The properties include chemical structure, bonding information, density and ash content. The resulting predictive tool has a correlation coefficient of 0.914 when compared with actual MISSE 2 space data for 38 polymers and pyrolytic graphite. The intent of the predictive tool is to be able to make estimates of atomic oxygen erosion yields for new polymers without requiring expensive and time consumptive in-space testing.

  11. Atomic oxygen effects on thin film space coatings studied by spectroscopic ellipsometry, atomic force microscopy, and laser light scattering

    NASA Technical Reports Server (NTRS)

    Synowicki, R. A.; Hale, Jeffrey S.; Woollam, John A.

    1992-01-01

    The University of Nebraska is currently evaluating Low Earth Orbit (LEO) simulation techniques as well as a variety of thin film protective coatings to withstand atomic oxygen (AO) degradation. Both oxygen plasma ashers and an electron cyclotron resonance (ECR) source are being used for LEO simulation. Thin film coatings are characterized by optical techniques including Variable Angle Spectroscopic Ellipsometry, Optical spectrophotometry, and laser light scatterometry. Atomic Force Microscopy (AFM) is also used to characterize surface morphology. Results on diamondlike carbon (DLC) films show that DLC degrades with simulated AO exposure at a rate comparable to Kapton polyimide. Since DLC is not as susceptible to environmental factors such as moisture absorption, it could potentially provide more accurate measurements of AO fluence on short space flights.

  12. Solar photolysis of ozone to singlet D oxygen atoms

    NASA Technical Reports Server (NTRS)

    Blackburn, Thomas E.; Bairai, Solomon T.; Stedman, Donald H.

    1992-01-01

    The ground-level photolysis frequency of ozone J(O3) to produce metastable singlet D oxygen atoms (O (D-1)) is measured using a novel instrumental technique involving electrical conductivity. The O(D-1) atoms produced react with nitrous oxide (N2O) carrier gas to form higher oxides of nitrogen (NO(x)). These oxides were detected by mixing with methanol and determining the increase in electrical conductivity with a continuous-flow dual conductivity cell. Over 70 days of data were collected under varying sky conditions. The effect of temperature on J(O3) was measured. The results agree with model predictions. The effects of atmospheric aerosols, changes in overhead ozone column, and local cloudiness are discussed.

  13. Atomic oxygen dynamics in an air dielectric barrier discharge: a combined diagnostic and modeling approach

    NASA Astrophysics Data System (ADS)

    Baldus, Sabrina; Schröder, Daniel; Bibinov, Nikita; Schulz-von der Gathen, Volker; Awakowicz, Peter

    2015-06-01

    Cold atmospheric pressure plasmas are a promising alternative therapy for treatment of chronic wounds, as they have already shown in clinical trials. In this study an air dielectric barrier discharge (DBD) developed for therapeutic use in dermatology is characterized with respect to the plasma produced reactive oxygen species, namely atomic oxygen and ozone, which are known to be of great importance to wound healing. To understand the plasma chemistry of the applied DBD, xenon-calibrated two-photon laser-induced fluorescence spectroscopy and optical absorption spectroscopy are applied. The measured spatial distributions are shown and compared to each other. A model of the afterglow chemistry based on optical emission spectroscopy is developed to cross-check the measurement results and obtain insight into the dynamics of the considered reactive oxygen species. The atomic oxygen density is found to be located mostly between the electrodes with a maximum density of {{n}\\text{O}}=6× {{10}16} cm-3 . Time resolved measurements reveal a constant atomic oxygen density between two high voltage pulses. The ozone is measured up to 3 mm outside the active plasma volume, reaching a maximum value of {{n}{{\\text{O}3}}}=3× {{10}16} cm-3 between the electrodes.

  14. The Kinetics of Oxygen Atom Recombination in the Presence of Carbon Dioxide

    NASA Astrophysics Data System (ADS)

    Jamieson, C. S.; Garcia, R. M.; Pejakovic, D.; Kalogerakis, K.

    2009-12-01

    Understanding processes involving atomic oxygen is crucial for the study and modeling of composition, energy transfer, airglow, and transport dynamics in planetary atmospheres. Significant gaps and uncertainties exist in the understanding of these processes and often the relevant input from laboratory measurements is missing or outdated. We are conducting laboratory experiments to measure the rate coefficient for O + O + CO2 recombination and investigating the O2 excited states produced following the recombination. These measurements will provide key input for a quantitative understanding and reliable modeling of the atmospheres of the CO2 planets and their airglow. An excimer laser providing pulsed output at either 193 nm or 248 nm is employed to produce O atoms by dissociating carbon dioxide, nitrous oxide, or ozone. In an ambient-pressure background of CO2, O atoms recombine in a time scale of a few milliseconds. Detection of laser-induced fluorescence at 845 nm following two-photon excitation near 226 nm monitors the decay of the oxygen atom population. From the temporal evolution of the signal the recombination rate coefficient is extracted. Fluorescence spectroscopy is used to detect the products of O-atom recombination and subsequent relaxation in CO2. This work is supported by the US National Science Foundation’s (NSF) Planetary Astronomy Program. Rosanne Garcia’s participation was funded by the NSF Research Experiences for Undergraduates (REU) Program.

  15. Ground-Laboratory to In-Space Atomic Oxygen Correlation for the Polymer Erosion and Contamination Experiment (PEACE) Polymers

    NASA Technical Reports Server (NTRS)

    Stambler, Arielle H.; Inoshita, Karen E.; Roberts, Lily M.; Barbagallo, Claire E.; deGroh, Kim K.; Banks, Bruce A.

    2011-01-01

    The Materials International Space Station Experiment 2 (MISSE 2) Polymer Erosion and Contamination Experiment (PEACE) polymers were exposed to the environment of low Earth orbit (LEO) for 3.95 years from 2001 to 2005. There were 41 different PEACE polymers, which were flown on the exterior of the International Space Station (ISS) in order to determine their atomic oxygen erosion yields. In LEO, atomic oxygen is an environmental durability threat, particularly for long duration mission exposures. Although spaceflight experiments, such as the MISSE 2 PEACE experiment, are ideal for determining LEO environmental durability of spacecraft materials, ground-laboratory testing is often relied upon for durability evaluation and prediction. Unfortunately, significant differences exist between LEO atomic oxygen exposure and atomic oxygen exposure in ground-laboratory facilities. These differences include variations in species, energies, thermal exposures and radiation exposures, all of which may result in different reactions and erosion rates. In an effort to improve the accuracy of ground-based durability testing, ground-laboratory to in-space atomic oxygen correlation experiments have been conducted. In these tests, the atomic oxygen erosion yields of the PEACE polymers were determined relative to Kapton H using a radio-frequency (RF) plasma asher (operated on air). The asher erosion yields were compared to the MISSE 2 PEACE erosion yields to determine the correlation between erosion rates in the two environments. This paper provides a summary of the MISSE 2 PEACE experiment; it reviews the specific polymers tested as well as the techniques used to determine erosion yield in the asher, and it provides a correlation between the space and ground laboratory erosion yield values. Using the PEACE polymers asher to in-space erosion yield ratios will allow more accurate in-space materials performance predictions to be made based on plasma asher durability evaluation.

  16. The Effect of Ash and Inorganic Pigment Fill on the Atomic Oxygen Erosion of Polymers and Paints (ISMSE-12)

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.; Simmons, Julie C.; de Groh, Kim K.; Miller, Sharon K.

    2012-01-01

    Low atomic oxygen fluence (below 1x10(exp 20) atoms/sq cm) exposure of polymers and paints that have a small ash content and/or inorganic pigment fill does not cause a significant difference in erosion yield compared to unfilled (neat) polymers or paints. However, if the ash and/or inorganic pigment content is increased, the surface population of the inorganic content will begin to occupy a significant fraction of the surface area as the atomic oxygen exposure increases because the ash is not volatile and remains as a loosely attached surface layer. This results in a reduction of the flux of atomic oxygen reacting with the polymer and a reduction in the rate of erosion of the polymer remaining. This paper presents the results of ground laboratory and low Earth orbital (LEO) investigations to evaluate the fluence dependence of atomic oxygen erosion yields of polymers and paints having inorganic fill content.

  17. Recombination of 5-eV O(3P) atoms with surface-adsorbed NO - Spectra and their dependence on surface material and temperature

    NASA Technical Reports Server (NTRS)

    Orient, O. J.; Martus, K. E.; Chutjian, A.; Murad, E.

    1992-01-01

    Measurements have been conducted of the 300-850 nm recombination spectra associated with 5-eV collisions of O(3P) atoms with NO adsorbed on surfaces of MgF2, Ni, and Ti. Attention is given to the dependence of chemiluminescence intensity on surface temperature over the 240-340 K range. While all three materials tend to emit at the lower temperatures, MgF2 exhibits the greatest tendency to chemiluminescence. Both results are reflective of the greater packing density of surface-adsorbed NO at the lower temperatures for each surface. The activation energy for each surface is independent of emission wavelength, so that the same species is emitting throughout the wavelength range.

  18. Atmospheric Pressure Method and Apparatus for Removal of Organic Matter with Atomic and Ionic Oxygen

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A. (Inventor); Rutledge, Sharon K. (Inventor)

    1996-01-01

    A gas stream containing ionic and atomic oxygen in inert gas is used to remove organic matter from a substrate. The gas stream is formed by flowing a mixture of gaseous oxygen in an inert gas such as helium at atmospheric pressure past a high voltage, current limited, direct current arc which contacts the gas mixture and forms the ionic and atomic oxygen. The arc is curved at the cathode end and the ionic oxygen formed by the arc nearer to the anode end of the arc is accelerated in a direction towards the cathode by virtue of its charge. The relatively high mass to charge ratio of the ionic oxygen enables at least some of it to escape the arc before contacting the cathode and it is directed onto the substrate. This is useful for cleaning delicate substrates such as fine and historically important paintings and delicate equipment and the like.

  19. Atmospheric Pressure Method and Apparatus for Removal of Organic Matter with Atomic and Ionic Oxygen

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A. (Inventor); Rutledge, Sharon K. (Inventor)

    1997-01-01

    A gas stream containing ionic and atomic oxygen in inert gas is used to remove organic matter from a substrate. The gas stream is formed by flowing a mixture of gaseous oxygen in an inert gas such as helium at atmospheric pressure past a high voltage, current limited, direct current arc which contacts the gas mixture and forms the ionic and atomic oxygen. The arc is curved at the cathode end and the ionic oxygen formed by the arc nearer to the anode end of the arc is accelerated in a direction towards the cathode by virtue of its charge. The relatively high mass to charge ratio of the ionic oxygen enables at least some of it to escape the arc before contacting the cathode and it is directed onto the substrate. This is useful for cleaning delicate substrates such as fine and historically important paintings and delicate equipment and the like.

  20. Carbon-hydrogen defects with a neighboring oxygen atom in n-type Si

    NASA Astrophysics Data System (ADS)

    Gwozdz, K.; Stübner, R.; Kolkovsky, Vl.; Weber, J.

    2017-07-01

    We report on the electrical activation of neutral carbon-oxygen complexes in Si by wet-chemical etching at room temperature. Two deep levels, E65 and E75, are observed by deep level transient spectroscopy in n-type Czochralski Si. The activation enthalpies of E65 and E75 are obtained as EC-0.11 eV (E65) and EC-0.13 eV (E75). The electric field dependence of their emission rates relates both levels to single acceptor states. From the analysis of the depth profiles, we conclude that the levels belong to two different defects, which contain only one hydrogen atom. A configuration is proposed, where the CH1BC defect, with hydrogen in the bond-centered position between neighboring C and Si atoms, is disturbed by interstitial oxygen in the second nearest neighbor position to substitutional carbon. The significant reduction of the CH1BC concentration in samples with high oxygen concentrations limits the use of this defect for the determination of low concentrations of substitutional carbon in Si samples.

  1. First-Principles Study of Mo Segregation in MoNi(111): Effects of Chemisorbed Atomic Oxygen

    PubMed Central

    Yu, Yanlin; Xiao, Wei; Wang, Jianwei; Wang, Ligen

    2015-01-01

    Segregation at metal alloy surfaces is an important issue because many electrochemical and catalytic properties are directly correlated to the surface composition. We have performed density functional theory calculations for Mo segregation in MoNi(111) in the presence of chemisorbed atomic oxygen. In particular, the coverage dependence and possible adsorption-induced segregation phenomena are addressed by investigating segregation energies of the Mo atom in MoNi(111). The theoretical calculated results show that the Mo atom prefers to be embedded in the bulk for the clean MoNi(111), while it segregates to the top-most layer when the oxygen coverage is thicker than 1/9 monolayer (ML). Furthermore, we analyze the densities of states for the clean and oxygen-chemisorbed MoNi(111), and see a strong covalent bonding between Mo d-band states and O p-states. The present study provides valuable insight for exploring practical applications of Ni-based alloys as hydrogen evolution electrodes. PMID:28787811

  2. Chemical reaction of atomic oxygen with evaporated films of copper, part 4

    NASA Technical Reports Server (NTRS)

    Fromhold, A. T.; Williams, J. R.

    1990-01-01

    Evaporated copper films were exposed to an atomic oxygen flux of 1.4 x 10(exp 17) atoms/sq cm per sec at temperatures in the range 285 to 375 F (140 to 191 C) for time intervals between 2 and 50 minutes. Rutherford backscattering spectroscopy (RBS) was used to determine the thickness of the oxide layers formed and the ratio of the number of copper to oxygen atoms in the layers. Oxide film thicknesses ranged from 50 to 3000 A (0.005 to 0.3 microns, or equivalently, 5 x 10(exp -9) to 3 x 10(exp -7); it was determined that the primary oxide phase was Cu2O. The growth law was found to be parabolic (L(t) varies as t(exp 1/2)), in which the oxide thickness L(t) increases as the square root of the exposure time t. The analysis of the data is consistent with either of the two parabolic growth laws. (The thin-film parabolic growth law is based on the assumption that the process is diffusion controlled, with the space charge within the growing oxide layer being negligible. The thick-film parabolic growth law is also based on a diffusion controlled process, but space-charge neutrality prevails locally within very thick oxides.) In the absence of a voltage measurement across the growing oxide, a distinction between the two mechanisms cannot be made, nor can growth by the diffusion of neutral atomic oxygen be entirely ruled out. The activation energy for the reaction is on the order of 1.1 eV (1.76 x 10(exp -19) joule, or equivalently, 25.3 kcal/mole).

  3. Hot hydrogen and oxygen atoms in the upper atmospheres of Venus and Mars

    NASA Astrophysics Data System (ADS)

    Nagy, A. F.; Kim, J.; Cravens, T. E.

    1990-04-01

    Optical observations of hot atoms in the atmospheres of Venus and Mars are briefly reviewed. A summary of hot hydrogen and oxygen production and loss processes is given. Results of some recent model calculations as well as a number of new results of the hot hydrogen and oxygen populations are presented and their implication in terms of solar wind interaction processes is discussed.

  4. Materials selection for long life in LEO: A critical evaluation of atomic oxygen testing with thermal atom systems

    NASA Technical Reports Server (NTRS)

    Koontz, S. L.; Kuminecz, J.; Leger, L.; Nordine, P.

    1988-01-01

    The use of thermal atom test methods as a materials selection and screening technique for low-Earth orbit (LEO) spacecraft is critically evaluated. The chemistry and physics of thermal atom environments are compared with the LEO environment. The relative reactivities of a number of materials determined to be in thermal atom environments are compared to those observed in LEO and in high quality LEO simulations. Reaction efficiencies measured in a new type of thermal atom apparatus are one-hundredth to one-thousandth those observed in LEO, and many materials showing nearly identical reactivities in LEO show relative reactivities differing by as much as a factor of 8 in thermal atom systems. A simple phenomenological kinetic model for the reaction of oxygen atoms with organic materials can be used to explain the differences in reactivity in different environments. Certain specific thermal test environments can be used as reliable materials screening tools. Using thermal atom methods to predict material lifetime in LEO requires direct calibration of the method against LEO data or high quality simulation data for each material.

  5. The survivability of large space-borne reflectors under atomic oxygen and micrometeoroid impact

    NASA Technical Reports Server (NTRS)

    Gulino, D. A.

    1987-01-01

    Solar dynamic power system mirrors for use on space station and other spacecraft flown in low Earth orbit (LEO) are exposed to the harshness of the LEO environment. Both atomic oxygen and micrometeoroids/space debris can degrade the performance of such mirrors. Protective coatings will be required to protect oxidizable reflecting media, such as silver and aluminum, from atomic oxygen attack. Several protective coating materials have been identified as good candidates for use in this application. The durability of these coating/mirror systems after pinhole defects have been inflicted during their fabrication and deployment or through micrometeoroid/space debris impact once on-orbit is of concern. Studies of the effect of an oxygen plasma environment on protected mirror surfaces with intentionally induced pinhole defects have been conducted at NASA Lewis and are reviewed. It has been found that oxidation of the reflective layer and/or the substrate in areas adjacent to a pinhole defect, but not directly exposed by the pinhole, can occur.

  6. Photoionization Rate of Atomic Oxygen

    NASA Astrophysics Data System (ADS)

    Meier, R. R.; McLaughlin, B. M.; Warren, H. P.; Bishop, J.

    2006-05-01

    Accurate knowledge of the photoionization rate of atomic oxygen is important for the study and understanding of the ionospheres and emission processes of terrestrial, planetary, and cometary atmospheres. Past calculations of the photoionization rate have been carried out at various spectral resolutions, but none were at sufficiently high resolution to accommodate accidental resonances between solar emission lines and highly structured auto-ionization features in the photoionization cross section. A new version of the NRLEUV solar spectral irradiance model (at solar minimum) and a new model of the O photoionization cross section enable calculations at very high spectral resolution. We find unattenuated photoionization rates computed at 0.001 nm resolution are larger than those at moderate resolution (0.1 nm) by amounts approaching 20%. Allowing for attenuation in the terrestrial atmosphere, we find differences in photoionization rates computed at high and moderate resolution to vary with altitude, especially below 200 km where deviations of plus or minus 20% occur between the two cases.

  7. Spatially and Temporally Resolved Atomic Oxygen Measurements in Short Pulse Discharges by Two Photon Laser Induced Fluorescence

    NASA Astrophysics Data System (ADS)

    Lempert, Walter; Uddi, Mruthunjaya; Mintusov, Eugene; Jiang, Naibo; Adamovich, Igor

    2007-10-01

    Two Photon Laser Induced Fluorescence (TALIF) is used to measure time-dependent absolute oxygen atom concentrations in O2/He, O2/N2, and CH4/air plasmas produced with a 20 nanosecond duration, 20 kV pulsed discharge at 10 Hz repetition rate. Xenon calibrated spectra show that a single discharge pulse creates initial oxygen dissociation fraction of ˜0.0005 for air like mixtures at 40-60 torr total pressure. Peak O atom concentration is a factor of approximately two lower in fuel lean (φ=0.5) methane/air mixtures. In helium buffer, the initially formed atomic oxygen decays monotonically, with decay time consistent with formation of ozone. In all nitrogen containing mixtures, atomic oxygen concentrations are found to initially increase, for time scales on the order of 10-100 microseconds, due presumably to additional O2 dissociation caused by collisions with electronically excited nitrogen. Further evidence of the role of metastable N2 is demonstrated from time-dependent N2 2^nd Positive and NO Gamma band emission spectroscopy. Comparisons with modeling predictions show qualitative, but not quantitative, agreement with the experimental data.

  8. Orbital atomic oxygen effects on materials: An overview of MSFC experiments on the STS-46 EOIM-3

    NASA Astrophysics Data System (ADS)

    Linton, Roger C.; Vaughn, Jason A.; Finckenor, Miria M.; Kamenetzky, Rachel R.; Dehaye, Robert F.; Whitaker, Ann F.

    1995-02-01

    The third Evaluation of Oxygen Interaction with Materials experiment was flown on Space Shuttle Mission STS-46 (July 31 - August 8, 1992), representing a joint effort of several NASA centers, universities, and contractors. This array of active instrumentation and material exposure sub-assemblies was integrated as a Shuttle cargo bay pallet experiment for investigating the effects of orbital atomic oxygen on candidate space materials. Marshall Space Flight Center contributed several passive exposure trays of material specimens, uniform stress and static stress material exposure fixtures, the Atomic Oxygen Resistance Monitor (AORM), and specimens of thermal coatings for the EOIM-3 variable exposure mechanisms. As a result of 42 hours of spacecraft velocity vector-oriented exposure during the later phases of the STS-46 mission in LEO, EOIM-3 materials were exposed to an atomic oxygen fluence of 2.2 x 10(exp 20) atoms/sq cm. In this paper, an overview is presented of the technical approaches and results from analyses of the MSFC flight specimens, fixtures, and the AORM. More detailed results from earlier EOIM missions, the LDEF, and from laboratory testing are included in associated papers of this conference session.

  9. Orbital atomic oxygen effects on materials: An overview of MSFC experiments on the STS-46 EOIM-3

    NASA Technical Reports Server (NTRS)

    Linton, Roger C.; Vaughn, Jason A.; Finckenor, Miria M.; Kamenetzky, Rachel R.; Dehaye, Robert F.; Whitaker, Ann F.

    1995-01-01

    The third Evaluation of Oxygen Interaction with Materials experiment was flown on Space Shuttle Mission STS-46 (July 31 - August 8, 1992), representing a joint effort of several NASA centers, universities, and contractors. This array of active instrumentation and material exposure sub-assemblies was integrated as a Shuttle cargo bay pallet experiment for investigating the effects of orbital atomic oxygen on candidate space materials. Marshall Space Flight Center contributed several passive exposure trays of material specimens, uniform stress and static stress material exposure fixtures, the Atomic Oxygen Resistance Monitor (AORM), and specimens of thermal coatings for the EOIM-3 variable exposure mechanisms. As a result of 42 hours of spacecraft velocity vector-oriented exposure during the later phases of the STS-46 mission in LEO, EOIM-3 materials were exposed to an atomic oxygen fluence of 2.2 x 10(exp 20) atoms/sq cm. In this paper, an overview is presented of the technical approaches and results from analyses of the MSFC flight specimens, fixtures, and the AORM. More detailed results from earlier EOIM missions, the LDEF, and from laboratory testing are included in associated papers of this conference session.

  10. Atomic Oxygen Erosion Yield Prediction for Spacecraft Polymers in Low Earth Orbit

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.; Backus, Jane A.; Manno, Michael V.; Waters, Deborah L.; Cameron, Kevin C.; deGroh, Kim K.

    2009-01-01

    The ability to predict the atomic oxygen erosion yield of polymers based on their chemistry and physical properties has been only partially successful because of a lack of reliable low Earth orbit (LEO) erosion yield data. Unfortunately, many of the early experiments did not utilize dehydrated mass loss measurements for erosion yield determination, and the resulting mass loss due to atomic oxygen exposure may have been compromised because samples were often not in consistent states of dehydration during the pre-flight and post-flight mass measurements. This is a particular problem for short duration mission exposures or low erosion yield materials. However, as a result of the retrieval of the Polymer Erosion and Contamination Experiment (PEACE) flown as part of the Materials International Space Station Experiment 2 (MISSE 2), the erosion yields of 38 polymers and pyrolytic graphite were accurately measured. The experiment was exposed to the LEO environment for 3.95 years from August 16, 2001 to July 30, 2005 and was successfully retrieved during a space walk on July 30, 2005 during Discovery s STS-114 Return to Flight mission. The 40 different materials tested (including Kapton H fluence witness samples) were selected specifically to represent a variety of polymers used in space as well as a wide variety of polymer chemical structures. The MISSE 2 PEACE Polymers experiment used carefully dehydrated mass measurements, as well as accurate density measurements to obtain accurate erosion yield data for high-fluence (8.43 1021 atoms/sq cm). The resulting data was used to develop an erosion yield predictive tool with a correlation coefficient of 0.895 and uncertainty of +/-6.3 10(exp -25)cu cm/atom. The predictive tool utilizes the chemical structures and physical properties of polymers to predict in-space atomic oxygen erosion yields. A predictive tool concept (September 2009 version) is presented which represents an improvement over an earlier (December 2008) version.

  11. Gas storage using fullerene based adsorbents

    NASA Technical Reports Server (NTRS)

    Mikhael, Michael G. (Inventor); Loutfy, Raouf O. (Inventor); Lu, Xiao-Chun (Inventor); Li, Weijiong (Inventor)

    2000-01-01

    This invention is directed to the synthesis of high bulk density high gas absorption capacity adsorbents for gas storage applications. Specifically, this invention is concerned with novel gas absorbents with high gravimetric and volumetric gas adsorption capacities which are made from fullerene-based materials. By pressing fullerene powder into pellet form using a conventional press, then polymerizing it by subjecting the fullerene to high temperature and high inert gas pressure, the resulting fullerene-based materials have high bulk densities and high gas adsorption capacities. By pre-chemical modification or post-polymerization activation processes, the gas adsorption capacities of the fullerene-based adsorbents can be further enhanced. These materials are suitable for low pressure gas storage applications, such as oxygen storage for home oxygen therapy uses or on-board vehicle natural gas storage. They are also suitable for storing gases and vapors such as hydrogen, nitrogen, carbon dioxide, and water vapor.

  12. A measurement of the angular distribution of 5 eV atomic oxygen scattered off a solid surface in earth orbit

    NASA Technical Reports Server (NTRS)

    Gregory, John C.; Peters, Palmer N.

    1986-01-01

    The angular distribution of 5 eV atomic oxygen scattered off a polished vitreous carbon surface was measured on a recent Space Shuttle flight. The experimental apparatus was of novel design, completely passive, and used thin silver films as the recording device for oxygen atoms. Most of the incident oxygen was contained in the reflected beam and remained in an active form and probably still atoms. Allowance was made for 12 percent loss of incident atoms which are converted to CO at the carbon surface. The scattered distribution which is wide lobular, peaking 15 deg in the forward direction, shows almost but not quite full accommodation.

  13. Additives to reduce susceptibility of thermosets and thermoplastics to erosion from atomic oxygen

    NASA Technical Reports Server (NTRS)

    Orwoll, Robert A.

    1990-01-01

    Polymeric materials have many attractive features such as light weight, high strength, and broad applicability in the form of films, fibers, and molded objects. In low earth orbit (LEO), these materials, when exposed on the exterior of the spacecraft, have the serious disadvantage of being susceptible to erosion by atomic oxygen (AO). AO is the most common chemical species at LEO altitudes. AO can be an extremely efficient oxidizing agent as was apparent from the extensive erosion of organic films exposed in STS missions. The mechanism for erosion involves the reaction of oxygen atoms at the surface of the substrate to form small molecular species. The susceptibility of polymeric materials varies with their chemical composition. Films with silicon atoms incorporated in the molecular structures have large coefficients of thermal expansion. This limits their utility. In an alternative approach additives were sought that mix physically and form a protective oxide layer when the film is exposed to AO. A large number of organic compounds containing silicon, germanium, or tin atoms were screened. Most were found to have very limited solubility in the polyetherimide (Ultem) films that were being protected from AO. However, one, bis(triphenyl tin) oxide, (BTO), is miscible in Ultem up to about 25 percent. Films of Ultem polyimide containing up to 25 wt percent BTO were prepared by evaporation of solvent from a solution of Ultem and BTO. The effects of AO on these films were simulated in the oxygen atmosphere of a radio frequency glow-discharge chamber. In the second part of this study, atoms were incorporated in epoxy resins. Experiments are in progress to measure the resistance of films of the cured epoxy to AO in the discharge chamber.

  14. Materials selection for long life in low earth orbit - A critical evaluation of atomic oxygen testing with thermal atom systems

    NASA Technical Reports Server (NTRS)

    Koontz, S. L.; Albyn, K.; Leger, L.

    1990-01-01

    The use of thermal atom test methods as a materials selection and screening technique for low-earth orbit (LEO) spacecraft is critically evaluated. The chemistry and physics of thermal atom environments are compared with the LEO environment. The relative reactivities of a number of materials determined in thermal atom environments are compared with those observed in LEO and in high-quality LEO simulations. Reaction efficiencies (cu cm/atom) measured in a new type of thermal atom apparatus are one-thousandth to one ten-thousandth those observed in LEO, and many materials showing nearly identical reactivities in LEO show relative reactivities differing by as much as a factor of eight in thermal atom systems. A simple phenomenological kinetic model for the reaction of oxygen atoms with organic materials can be used to explain the differences in reactivity in different environments. Certain speciic thermal atom test environments can be used as reliable materials screening tools.

  15. ESCA Study of Poly (Vinylidene Fluoride) Tetrafluoroethylene - Ethylene Copolymer and Polyethylene Exposed to Atomic Oxygen

    NASA Technical Reports Server (NTRS)

    Golub, Morton A.; Cormia, Robert D.

    1989-01-01

    The ESCA (electron spectroscopy for chemical analysis) spectra of films of poly(vinylidene fluoride) (PVDF), tetrafluoroethylene-ethylene copolymer (TFE/ET) and polyethylene (PE) exposed to atomic oxygen (O(P-3)), in or out of the glow of a radio-frequency O2 plasma, were compared. ESCA spectra of PE films exposed to (O(P-3)) in low Earth orbit (LEO) on the STS-8 Space Shuttle were also examined. Apart from O(P-3)-induced surface recession (etching), the various polymer films exhibited surface oxidation, which proceeded towards equilibrium saturation oxygen levels. The maximum surface oxygen uptakes for in-glow or out-of-glow exposures were in the order: PE greater than TFE/ET greater than PVDF; for PE itself, the oxygen uptakes were in the order: in glow greater than out of glow greater than LEO. Given prior ESCA data on poly(vinyl fluoride) and polytetrafluoroethylene films exposed to O(P-3), the extent of surface oxidation is seen to decrease regularly with increase in fluorine substitution in a family of ethylene-type polymers. (Keywords: ESCA; poly(vinylidene fluoride); tetrafluoroethylene ethylene copolymer; polyethylene; atomic oxygen; radio-frequency oxygen plasma; low Earth orbit)

  16. Recombination activity of nickel, copper, and oxygen atoms segregating at grain boundaries in mono-like silicon crystals

    NASA Astrophysics Data System (ADS)

    Ohno, Yutaka; Kutsukake, Kentaro; Deura, Momoko; Yonenaga, Ichiro; Shimizu, Yasuo; Ebisawa, Naoki; Inoue, Koji; Nagai, Yasuyoshi; Yoshida, Hideto; Takeda, Seiji

    2016-10-01

    Three-dimensional distribution of impurity atoms was determined at functional Σ5{013} and small-angle grain boundaries (GBs) in as-grown mono-like silicon crystals by atom probe tomography combined with transmission electron microscopy, and it was correlated with the recombination activity of those GBs, CGB, revealed by photoluminescence imaging. Nickel (Ni), copper (Cu), and oxygen atoms preferentially segregated at the GBs on which arrays of dislocations existed, while those atoms scarcely segregated at Σ5{013} GBs free from dislocations. Silicides containing Ni and Cu about 5 nm in size and oxides about 1 nm in size were formed along the dislocation arrays on those GBs. The number of segregating impurity atoms per unit GB area for Ni and that for Cu, NNi and NCu, were in a trade-off correlation with that for oxygen, NO, as a function of CGB, while the sum of those numbers was almost constant irrespective of the GB character, CGB, and the dislocation density on GBs. CGB would be explained as a linear combination of those numbers: CGB (in %) ˜400(0.38NO + NNi + NCu) (in atoms/nm2). The GB segregation of oxygen atoms would be better for solar cells, rather than that of metal impurities, from a viewpoint of the conversion efficiency of solar cells.

  17. Automated Reflectance Measurement System Designed and Fabricated to Determine the Limits of Atomic Oxygen Treatment of Art Through Contrast Optimization

    NASA Technical Reports Server (NTRS)

    Sechkar, Edward A.; Stueber, Thomas J.; Rutledge, Sharon K.

    2000-01-01

    Atomic oxygen generated in ground-based research facilities has been used to not only test erosion of candidate spacecraft materials but as a noncontact technique for removing organic deposits from the surfaces of artwork. NASA has patented the use of atomic oxygen to remove carbon-based soot contamination from fire-damaged artwork. The process of cleaning soot-damaged paintings with atomic oxygen requires exposures for variable lengths of time, dependent on the condition of a painting. Care must be exercised while cleaning to prevent the removal of pigment. The cleaning process must be stopped as soon as visual inspection or surface reflectance measurements indicate that cleaning is complete. Both techniques rely on optical comparisons of known bright locations against known dark locations on the artwork being cleaned. Difficulties arise with these techniques when either a known bright or dark location cannot be determined readily. Furthermore, dark locations will lighten with excessive exposure to atomic oxygen. Therefore, an automated test instrument to quantitatively characterize cleaning progression was designed and developed at the NASA Glenn Research Center at Lewis Field to determine when atomic oxygen cleaning is complete.

  18. C-C Coupling on Single-Atom-Based Heterogeneous Catalyst.

    PubMed

    Zhang, Xiaoyan; Sun, Zaicheng; Wang, Bin; Tang, Yu; Nguyen, Luan; Li, Yuting; Tao, Franklin Feng

    2018-01-24

    Compared to homogeneous catalysis, heterogeneous catalysis allows for ready separation of products from the catalyst and thus reuse of the catalyst. C-C coupling is typically performed on a molecular catalyst which is mixed with reactants in liquid phase during catalysis. This homogeneous mixing at a molecular level in the same phase makes separation of the molecular catalyst extremely challenging and costly. Here we demonstrated that a TiO 2 -based nanoparticle catalyst anchoring singly dispersed Pd atoms (Pd 1 /TiO 2 ) is selective and highly active for more than 10 Sonogashira C-C coupling reactions (R≡CH + R'X → R≡R'; X = Br, I; R' = aryl or vinyl). The coupling between iodobenzene and phenylacetylene on Pd 1 /TiO 2 exhibits a turnover rate of 51.0 diphenylacetylene molecules per anchored Pd atom per minute at 60 °C, with a low apparent activation barrier of 28.9 kJ/mol and no cost of catalyst separation. DFT calculations suggest that the single Pd atom bonded to surface lattice oxygen atoms of TiO 2 acts as a site to dissociatively chemisorb iodobenzene to generate an intermediate phenyl, which then couples with phenylacetylenyl bound to a surface oxygen atom. This coupling of phenyl adsorbed on Pd 1 and phenylacetylenyl bound to O ad of TiO 2 forms the product molecule, diphenylacetylene.

  19. Mathematical modeling of chemical composition modification and etching of polymers under the atomic oxygen influence

    NASA Astrophysics Data System (ADS)

    Chirskaia, Natalia; Novikov, Lev; Voronina, Ekaterina

    2016-07-01

    Atomic oxygen (AO) of the upper atmosphere is one of the most important space factors that can cause degradation of spacecraft surface. In our previous mathematical model the Monte Carlo method and the "large particles" approximation were used for simulating processes of polymer etching under the influence of AO [1]. The interaction of enlarged AO particles with the polymer was described in terms of probabilities of reactions such as etching of polymer and specular and diffuse scattering of the AO particles on polymer. The effects of atomic oxygen on protected polymers and microfiller containing composites were simulated. The simulation results were in quite good agreement with the results of laboratory experiments on magnetoplasmadynamic accelerator of the oxygen plasma of SINP MSU [2]. In this paper we present a new model that describes the reactions of AO interactions with polymeric materials in more detail. Reactions of formation and further emission of chemical compounds such as CO, CO _{2}, H _{2}O, etc. cause the modification of the chemical composition of the polymer and change the probabilities of its consequent interaction with the AO. The simulation results are compared with the results of previous simulation and with the results of laboratory experiments. The reasons for the differences between the results of natural experiments on spacecraft, laboratory experiments and simulations are discussed. N. Chirskaya, M. Samokhina, Computer modeling of polymer structures degradation under the atomic oxygen exposure, WDS'12 Proceedings of Contributed Papers: Part III - Physics, Matfyzpress Prague, 2012, pp. 30-35. E. Voronina, L. Novikov, V. Chernik, N. Chirskaya, K. Vernigorov, G. Bondarenko, and A. Gaidar, Mathematical and experimental simulation of impact of atomic oxygen of the earth's upper atmosphere on nanostructures and polymer composites, Inorganic Materials: Applied Research, 2012, vol. 3, no. 2, pp. 95-101.

  20. Many-particle effects in adsorbed magnetic atoms with easy-axis anisotropy: the case of Fe on the CuN/Cu(100) surface

    NASA Astrophysics Data System (ADS)

    Žitko, R.; Pruschke, Th

    2010-06-01

    We study the effects of the exchange interaction between an adsorbed magnetic atom with easy-axis magnetic anisotropy and the conduction-band electrons from the substrate. We model the system using an anisotropic Kondo model and we compute the impurity spectral function, which is related to the differential conductance (dI/dV) spectra measured using a scanning tunneling microscope. To make contact with the known experimental results for iron atoms on the CuN/Cu(100) surface (Hirjibehedin et al 2007 Science 317 1199), we calculated the spectral functions in the presence of an external magnetic field of varying strength applied along all three spatial directions. It is possible to establish an upper bound on the coupling constant J: in the range of the magnetic fields for which the experimental results are currently known (up to 7 T), the low-energy features in the calculated spectra agree well with the measured dI/dV spectra if the exchange coupling constant J is at most half as large as that for cobalt atoms on the same surface. We show that for an even higher magnetic field (between 8 and 9 T) applied along the 'hollow direction', the impurity energy states cross, giving rise to a Kondo effect which takes the form of a zero-bias resonance. The coupling strength J could be determined experimentally by performing tunneling spectroscopy in this range of magnetic fields. On the technical side, the paper introduces an approach for calculating the expectation values of global spin operators and all the components of the impurity magnetic susceptibility tensor (including the out-of-diagonal ones) in numerical renormalization group (NRG) calculations with no spin symmetry. An appendix contains a density functional theory (DFT) study of the Co and Fe adsorbates on the CuN/Cu(100) surface: we compare magnetic moments, as well as orbital energies, occupancies, centers and spreads, by calculating the maximally localized Wannier orbitals of the adsorbates.

  1. Effect of Atomic Oxygen Exposure on Surface Resistivity Change of Spacecraft Insulator Material

    NASA Astrophysics Data System (ADS)

    Mundari, Noor Danish Ahrar; Khan, Arifur Rahman; Chiga, Masaru; Okumura, Teppei; Masui, Hirokazu; Iwata, Minoru; Toyoda, Kazuhiro; Cho, Mengu

    Spacecraft surface charging can lead to arcing and a loss of electricity generation capability in solar panels or even loss of a satellite. The charging problem may be further aggravated by atomic oxygen (AO) exposure in Low Earth orbits, which modifies the surface of materials like polyimide, Teflon, anti-reflective coatings, cover glass etc, used on satellite surfaces, affecting materials properties, such as resistivity, secondary electron emissivity and photo emission, which govern the charging behavior. These properties are crucial input parameters for spacecraft charging analysis. To study the AO exposure effect on charging governing properties, an atomic oxygen exposure facility based on laser detonation of oxygen was built. The facility produces AO with a peak velocity value around 10-12km/s and a higher flux than that existing in orbit. After exposing the polyimide test material to the equivalent of 10 years of AO fluence at an altitude of 700-800 km, surface charging properties like surface resistivity and volume resistivity were measured. The measurement was performed in a vacuum using the charge storage decay method at room temperature, which is considered the most appropriate for measuring resistivity for space applications. The results show that the surface resistivity increases and the volume resistivity remains almost the same for the AO exposure fluence of 5.4×1018 atoms cm-2.

  2. Atomic force microscopy of adsorbed proteoglycan mimetic nanoparticles: Toward new glycocalyx-mimetic model surfaces.

    PubMed

    Hedayati, Mohammadhasan; Kipper, Matt J

    2018-06-15

    Blood vessels present a dense, non-uniform, polysaccharide-rich layer, called the endothelial glycocalyx. The polysaccharides in the glycocalyx include polyanionic glycosaminoglycans (GAGs). This polysaccharide-rich surface has excellent and unique blood compatibility. We report new methods for preparing and characterizing dense GAG surfaces that can serve as models of the vascular endothelial glycocalyx. The GAG-rich surfaces are prepared by adsorbing heparin or chondroitin sulfate-containing polyelectrolyte complex nanoparticles (PCNs) to chitosan-hyaluronan polyelectrolyte multilayers (PEMs). The surfaces are characterized by PeakForce tapping atomic force microscopy, both in air and in aqueous pH 7.4 buffer, and by PeakForce quantitative nanomechanics (PF-QNM) mode with high spatial resolution. These new surfaces provide access to heparin-rich or chondroitin sulfate-rich coatings that mimic both composition and nanoscale structural features of the vascular endothelial glycocalyx. Copyright © 2018. Published by Elsevier Ltd.

  3. Characterization of atomic oxygen from an ECR plasma source

    NASA Astrophysics Data System (ADS)

    Naddaf, M.; Bhoraskar, V. N.; Mandale, A. B.; Sainkar, S. R.; Bhoraskar, S. V.

    2002-11-01

    A low-power microwave-assisted electron cyclotron resonance (ECR) plasma system is shown to be a powerful and effective source of atomic oxygen (AO) useful in material processing. A 2.45 GHz microwave source with maximum power of 600 W was launched into the cavity to generate the ECR plasma. A catalytic nickel probe was used to determine the density of AO. The density of AO is studied as a function of pressure and axial position of the probe in the plasma chamber. It was found to vary from ~1×1020 to ~10×1020 atom m-3 as the plasma pressure was varied from 0.8 to 10 mTorr. The effect of AO in oxidation of silver is investigated by gravimetric analysis. The stoichiometric properties of the oxide are studied using the x-ray photoelectron spectroscopy as well as energy dispersive x-ray analysis. The degradation of the silver surface due to sputtering effect was viewed by scanning electron spectroscopy. The sputtering yield of oxygen ions in the plasma is calculated using the TRIM code. The effects of plasma pressure and the distance from the ECR zone on the AO density were also investigated. The density of AO measured by oxidation of silver is in good agreement with results obtained from the catalytic nickel probe.

  4. Barrier mechanism of multilayers graphene coated copper against atomic oxygen irradiation

    NASA Astrophysics Data System (ADS)

    Zhang, Haijing; Ren, Siming; Pu, Jibin; Xue, Qunji

    2018-06-01

    Graphene has been demonstrated as a protective coating for Cu under ambient condition because of its high impermeability and light-weight oxidation barrier. However, it lacks the research of graphene as a protective coating in space environment. Here, we experimentally and theoretically study the oxidation behavior of graphene-coated Cu in vacuum atomic oxygen (AO) condition. After AO irradiation, the experimental results show multilayer graphene has better anti-oxidation than monolayer graphene. Meanwhile, the calculation results show the oxidation appeared on the graphene's grain boundaries or the film's vacancy defects for the monolayer graphene coated Cu foil. Moreover, the calculation results show the oxidation process proceeds slowly in multilayers because of the matched defects overlaps each other to form a steric hindrance to suppress the O atom diffusion in the vertical direction, and the mismatched defects generates potential energy barriers for interlayer to suppress the O atom diffusion in the horizontal direction. Hence, multilayer graphene films could serve as protection coatings to prevent diffusion of O atom.

  5. Laboratory Investigations of Mesospheric Ice Surfaces: Absence of Dangling Bonds in the Presence of Atomic Oxygen

    NASA Astrophysics Data System (ADS)

    Boulter, J. E.; Morgan, C. G.; Marschall, J.

    2006-05-01

    Remote observations of PMCs have become more sophisticated and have increased in geographic and temporal coverage, while numerical models have advanced in detail and predictive power. Together, these advances enable new questions of PMC morphology, optical properties, and microphysical processes in their formation and dissipation. Laboratory investigations also advance this understanding, simulating physical and chemical processes unique to this atmospheric region under comparable conditions. In this work, ice deposition experiments in the presence of microwave discharge-dissociated molecular oxygen suggest heterogeneous interactions between dangling OH bonds on the ice surface and atomic oxygen. Ice films deposited on a gold substrate at temperatures of 115, 130, and 140 K from oxygen/water gas mixtures representative of the summertime polar mesosphere exhibit infrared absorption features characteristic of dangling bonds, whereas films grown in the presence of atomic oxygen do not. Dangling bond spectral features are shown to diminish rapidly when the microwave discharge is activated during ice deposition. Similar decreases were not seen when the gas stream was heated or when the ice film was slowly annealed from 130 to 160 K. One interpretation of these results is that atomic oxygen binds to dangling bond sites during ice growth, a phenomenon that may also occur during the formation of ice particles observed just below the cold summertime mesopause.

  6. Collisional desorption of NO by fast O atoms

    NASA Technical Reports Server (NTRS)

    Sonnenfroh, David M.; Caledonia, George E.

    1993-01-01

    Surface-adsorbed NO figures largely in the mechanism that produces visible glow around spacecraft in low Earth orbit (LEO). In view of the potential interference to optical observations such a glow represents, we have investigated the collision-induced desorption of NO from Al, Ni, and Z306 Chemglaze-coated surfaces at 96 K by hyperthermal (8 km/s) oxygen atoms. The removal of surface NO was followed by the monitoring of the visible fluorescence of electronically excited NO2 produced through the surface-mediated reaction O + NO. A variability in collisional desorption rate with material was observed. The limited data suggest a removal efficiency of 4 to 8% of the impinging O atom flux. Implications for the atmospheric scouring of contaminants from external surfaces of LEO spacecraft are discussed.

  7. Simulation of the synergistic low Earth orbit effects of vacuum thermal cycling, vacuum UV radiation, and atomic oxygen

    NASA Technical Reports Server (NTRS)

    Dever, Joyce A.; Degroh, Kim K.; Stidham, Curtis R.; Stueber, Thomas J.; Dever, Therese M.; Rodriguez, Elvin; Terlep, Judith A.

    1992-01-01

    In order to assess the low Earth orbit (LEO) durability of candidate space materials, it is necessary to use ground laboratory facilities which provide LEO environmental effects. A facility combining vacuum thermal cycling and vacuum ultraviolet (VUV) radiation has been designed and constructed at NASA Lewis Research Center for this purpose. This facility can also be operated without the VUV lamps. An additional facility can be used to provide VUV exposure only. By utilizing these facilities, followed by atomic oxygen exposure in an RF plasma asher, the effects of the individual vacuum thermal cycling and VUV environments can be compared to the effect of the combined vacuum thermal cycling/VUV environment on the atomic oxygen durability of materials. The synergistic effects of simulated LEO environmental conditions on materials were evaluated by first exposing materials to vacuum thermal cycling, VUV, and vacuum thermal cycling/VUV environments followed by exposure to atomic oxygen in an RP plasma asher. Candidate space power materials such as atomic oxygen protected polyimides and solar concentrator mirrors were evaluated using these facilities. Characteristics of the Vacuum Thermal Cycling/VUV Exposure Facility which simulates the temperature sequences and solar ultraviolet radiation exposure that would be experienced by a spacecraft surface in LEO are discussed. Results of durability evaluations of some candidate space power materials to the simulated LEO environmental conditions will also be discussed. Such results have indicated that for some materials, atomic oxygen durability is affected by previous exposure to thermal cycling and/or VUV exposure.

  8. Adsorption and magnetism of bilayer graphene on the MnO polar surface with oxygen vacancies in the interface: First principles study

    NASA Astrophysics Data System (ADS)

    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.

  9. Issues and Effects of Atomic Oxygen Interactions With Silicone Contamination on Spacecraft in Low Earth Orbit

    NASA Technical Reports Server (NTRS)

    Banks, Bruce; Rutledge, Sharon; Sechkar, Edward; Stueber, Thomas; Snyder, Aaron; deGroh, Kim; Haytas, Christy; Brinker, David

    2000-01-01

    The continued presence and use of silicones on spacecraft in low Earth orbit (LEO) has been found to cause the deposition of contaminant films on surfaces which are also exposed to atomic oxygen. The composition and optical properties of the resulting SiO(x)- based (where x is near 2) contaminant films may be dependent upon the relative rates of arrival of atomic oxygen, silicone contaminant and hydrocarbons. This paper presents results of in-space silicone contamination tests, ground laboratory simulation tests and analytical modeling to identify controlling processes that affect contaminant characteristics.

  10. Atomic and electronic structure of oxygen vacancies and Nb-impurity in SrTiO3

    NASA Astrophysics Data System (ADS)

    Hamid, A. S.

    2009-12-01

    We present the results of a first-principle full-potential linearized augmented plane wave (FLAPW) method to study the effect of defects on the electronic structure of SrTiO3. In addition, the relaxation of nearest neighbor atoms around those defects were calculated self-consistently. The calculations were performed using the local (spin) density approximations (L(S)DA), for the exchange-correlation potential. SrTiO3 was found to experience an insulator-to-metal transition upon the formation of oxygen vacancies or the substitution of Nb at the Ti site. The formation of oxygen divacancy disclosed additional states below the conduction band edge. The crystalline lattice relaxation showed displacements of atoms in rather large defective region. The magnitudes of atomic movements, however, were not large, normally not exceeding 0.15 Å. Our results were compared to the available experimental observations.

  11. Vacuum ultraviolet radiation/atomic oxygen synergism in fluorinated ethylene propylene Teflon erosion

    NASA Technical Reports Server (NTRS)

    Stiegman, A. E.; Brinza, David E.; Laue, Eric G.; Anderson, Mark S.; Liang, Ranty H.

    1992-01-01

    A micrographic investigation is reported of samples of the fluorinated ethylene propylene (FEP) Teflon thermal-blanketing materials recovered from the Long-Duration Exposure Facility (LDEF) satellite. The samples are taken from the trailing edge and row 8 which correspond to exposures to vacuum UV (VUV) and VUV + atomic O, respectively. Data are taken from SEM and IR-spectra observations, and the LDEF leading-edge FEP shows a high degree of erosion, roughening, and sharp peaks angled in the direction of the flow of atomic O. The trailing edge sample influenced primarily by VUV shows a hard brittle layer and some cracked mosaic patterns. Comparisons to a reference sample suggest that the brittle layer is related to exposure to VUV and is removed by atomic-O impingement. Polymers that are stable to VUV radiation appear to be more stable in terms of atomic oxygen.

  12. Toward a New Capability for Upper Atmospheric Research using Atomic Oxygen Lidar

    NASA Astrophysics Data System (ADS)

    Clemmons, J. H.; Steinvurzel, P.; Mu, X.; Beck, S. M.; Lotshaw, W. T.; Rose, T. S.; Hecht, J. H.; Westberg, K. R.; Larsen, M. F.; Chu, X.; Fritts, D. C.

    2017-12-01

    Progress on development of a lidar system for probing the upper atmosphere based on atomic oxygen resonance is presented and discussed. The promise of a fully-developed atomic oxygen lidar system, which must be based in space to measure the upper atmosphere, for yielding comprehensive new insights is discussed in terms of its potential to deliver global, height-resolved measurements of winds, temperature, and density at a high cadence. An overview of the system is given, and its measurement principles are described, including its use of 1) a two-photon transition to keep the optical depth low; 2) laser tuning to provide the Doppler information needed to measure winds; and 3) laser tuning to provide a Boltzmann temperature measurement. The current development status is presented with a focus on what has been done to demonstrate capability in the laboratory and its evolution to a funded sounding rocket investigation designed to make measurements of three-dimensional turbulence in the upper mesosphere and lower thermosphere.

  13. Nanoscopic analysis of oxygen segregation at tilt boundaries in silicon ingots using atom probe tomography combined with TEM and ab initio calculations.

    PubMed

    Ohno, Y; Inoue, K; Fujiwara, K; Kutsukake, K; Deura, M; Yonenaga, I; Ebisawa, N; Shimizu, Y; Inoue, K; Nagai, Y; Yoshida, H; Takeda, S; Tanaka, S; Kohyama, M

    2017-12-01

    We have developed an analytical method to determine the segregation levels on the same tilt boundaries (TBs) at the same nanoscopic location by a joint use of atom probe tomography and scanning transmission electron microscopy, and discussed the mechanism of oxygen segregation at TBs in silicon ingots in terms of bond distortions around the TBs. The three-dimensional distribution of oxygen atoms was determined at the typical small- and large-angle TBs by atom probe tomography with a low impurity detection limit (0.01 at.% on a TB plane) simultaneously with high spatial resolution (about 0.4 nm). The three-dimensional distribution was correlated with the atomic stress around the TBs; the stress at large-angle TBs was estimated by ab initio calculations based on atomic resolution scanning transmission electron microscopy data and that at small-angle TBs were calculated with the elastic theory based on dark-field transmission electron microscopy data. Oxygen atoms would segregate at bond-centred sites under tensile stress above about 2 GPa, so as to attain a more stable bonding network by reducing the local stress. The number of oxygen atoms segregating in a unit TB area N GB (in atoms nm -2 ) was determined to be proportional to both the number of the atomic sites under tensile stress in a unit TB area n bc and the average concentration of oxygen atoms around the TB [O i ] (in at.%) with N GB ∼ 50 n bc [O i ]. © 2017 The Authors Journal of Microscopy © 2017 Royal Microscopical Society.

  14. Determination of interstitial oxygen atom position in U2N3+xOy by near edge structure study

    NASA Astrophysics Data System (ADS)

    Jiang, A. K.; Zhao, Y. W.; Long, Z.; Hu, Y.; Wang, X. F.; Yang, R. L.; Bao, H. L.; Zeng, R. G.; Liu, K. Z.

    2018-06-01

    The determination of interstitial oxygen atom site in U2N3+xOy film could facilitate the understanding of the oxidation mechanism of α-U2N3 and the effect of U2N3+xOy on anti-oxidation. By comparing the similarities and variances between N K edge and O K edge electron energy loss spectra (EELS) for oxidized α-U2N3 and UO2, the present work looks at the local structure of nitrogen and oxygen atoms in U2N3+xOy film, identifying the most possible position of interstitial O atom.

  15. Atomic oxygen erosion considerations for spacecraft materials selection

    NASA Technical Reports Server (NTRS)

    Whitaker, Ann F.; Kamenetzky, Rachel R.

    1993-01-01

    The Long Duration Exposure Facility (LDEF) satellite carried 57 experiments that were designed to define the low-Earth orbit (LEO) space environment and to evaluate the impact of this environment on potential engineering materials and material processes. Deployed by the Shuttle Challenger in April of 1984, LDEF made over 32,000 orbits before being retrieved nearly 6 years later by the Shuttle Columbia in January of 1990. The Solar Array Passive LDEF Experiment (SAMPLE) AO171 contained approximately 300 specimens, representing numerous material classes and material processes. AO171 was located on LDEF in position A8 at a yaw of 38.1 degrees from the ram direction and was subjected to an atomic oxygen (AO) fluence of 6.93 x 10(exp 21) atoms/sq cm. LDEF AO171 data, as well as short-term shuttle data, will be discussed in this paper as it applies to engineering design applications of composites, bulk and thin film polymers, glassy ceramics, thermal control paints, and metals subjected to AO erosion.

  16. Atomic-Oxygen Effects on POSS Polyimides in Low Earth Orbit

    DTIC Science & Technology

    2012-01-11

    one. Figure 2. Reaction scheme for the synthesis of the N-[(hepta-isobutylPOSS) propyl ]-3,5- diaminobenzamide monomer used to prepare side-chain (SC...atomic oxygen. Earlier results from laboratory- and space-based studies are given, as well as new information on the synthesis and in-space...methods.39,40 Polyimide synthesis and processing was pioneered by workers at Dupont in the 1950’s, with Kapton being the first commercially

  17. Chemiluminescent reaction of oxygen atoms with some nitrile compounds

    NASA Astrophysics Data System (ADS)

    Upadhyaya, Hari P.; Pavanaja, Ubaradka B.; Sapre, Avinash V.; Rama Rao, Kuchimanchi V. S.; Mittal, Jai P.

    1994-09-01

    In a discharge-flow experiment, chemiluminescent reactions of oxygen atoms (O( 3P)) with organic nitriles (RCN) are studied. For unsaturated nitriles RCN (R: CH 2=CH; CH 2=C(CH 3); CH 2=CH(CH 2)) the observed emission is attributed to CN * (B→X) and NO * (γ:A→X and β: B→X, bands). For saturated and phenyl nitriles (R: CH 3; C 2H 5; C 6H 5) emission is only observed from CN * (B 2Σ +). A suitable reaction mechanism for the observed emission is proposed.

  18. Total photoionization cross sections of atomic oxygen from threshold to 44.3 A

    NASA Technical Reports Server (NTRS)

    Angel, G. C.; Samson, James A. R.

    1988-01-01

    Synchrotron radiation was used to obtain the relative photoionization cross section of atomic oxygen for the production of singly charged ions over the 44.3-910.5-A wavelength range. Measurement of the contribution of multiple ionization to the cross sections has made possible the determination of total photoionization cross sections below 250 A. The series of autoionizing resonances leading to the 4P state of the oxygen ion has been observed using an ionization-type experimental procedure for the first time.

  19. Effect of nature of oxygen interactions on friction of titanium, aluminum, and molybdenum

    NASA Technical Reports Server (NTRS)

    Buckley, D. H.

    1976-01-01

    Friction studies were conducted with a gold pin contacting titanium, aluminum, and molybdenum surfaces after exposure to oxygen with various methods. Oxygen was adsorbed on the surface, it reacted with the surface, and the surface was ion bombarded with oxygen. The presence of oxygen was monitored with Auger spectroscopy. Titanium friction varied with the mode of the metal-oxygen interaction. It was highest with the adsorbed oxygen and least with ion bombardment using oxygen. Aluminum exhibited lower friction values for the reacted and the ion bombarded surfaces than for the surface having the adsorbed layer. With molybdenum the friction coefficients were generally the same despite the nature of the surface treatment with oxygen.

  20. Method and apparatus for atomic imaging

    DOEpatents

    Saldin, Dilano K.; de Andres Rodriquez, Pedro L.

    1993-01-01

    A method and apparatus for three dimensional imaging of the atomic environment of disordered adsorbate atoms are disclosed. The method includes detecting and measuring the intensity of a diffuse low energy electron diffraction pattern formed by directing a beam of low energy electrons against the surface of a crystal. Data corresponding to reconstructed amplitudes of a wave form is generated by operating on the intensity data. The data corresponding to the reconstructed amplitudes is capable of being displayed as a three dimensional image of an adsorbate atom. The apparatus includes a source of a beam of low energy electrons and a detector for detecting the intensity distribution of a DLEED pattern formed at the detector when the beam of low energy electrons is directed onto the surface of a crystal. A device responsive to the intensity distribution generates a signal corresponding to the distribution which represents a reconstructed amplitude of a wave form and is capable of being converted into a three dimensional image of the atomic environment of an adsorbate atom on the crystal surface.

  1. Carbon dioxide adsorbents containing magnesium oxide suitable for use at high temperatures

    DOEpatents

    Mayorga, Steven Gerard; Weigel, Scott Jeffrey; Gaffney, Thomas Richard; Brzozowski, Jeffrey Richard

    2001-01-01

    Adsorption of carbon dioxide from gas streams at temperatures in the range of 300 to 500.degree. C. is carried out with a solid adsorbent containing magnesium oxide, preferably promoted with an alkali metal carbonate or bicarbonate so that the atomic ratio of alkali metal to magnesium is in the range of 0.006 to 2.60. Preferred adsorbents are made from the precipitate formed on addition of alkali metal and carbonate ions to an aqueous solution of a magnesium salt. Atomic ratios of alkali metal to magnesium can be adjusted by washing the precipitate with water. Low surface area adsorbents can be made by dehydration and CO.sub.2 removal of magnesium hydroxycarbonate, with or without alkali metal promotion. The process is especially valuable in pressure swing adsorption operations.

  2. RENU 2 UV Measurements of Atomic Oxygen in the Cusp Region

    NASA Astrophysics Data System (ADS)

    Fritz, B.; Lessard, M.; Paxton, L. J.; Cook, T.; Lynch, K. A.; Clemmons, J. H.; Hecht, J. H.; Hysell, D. L.; Crowley, G.

    2016-12-01

    The RENU 2 NASA sounding rocket mission launched from the Andoya Space Center on 13 December, 2015 into the dayside cusp region. A UV Photometer (UV PMT) provided by the University of New Hampshire was oriented to look up along the local magnetic field line as the payload passed through a poleward moving auroral form (PMAF). The bandpass filter on the UV PMT isolated emissions of atomic oxygen at both 130.4 nm and 135.6 nm. The instrument measured a clear enhancement in the topside ionosphere as the payload descended through a region of soft electron precipitation. The RENU 2 UV PMT was flown uncalibrated but measured a clear signal with both a major overall structure as well as several smaller peaks of fine structure. An identical spare has been built and calibrated using a Paresce UV light source at UMass-Lowell to compare and correlate with the flight data. An approximation of the flight data luminosity from the spare instrument and other flight data from RENU 2 is used in a radiative transport model to infer structure of upwelling neutral atomic oxygen above the PMAF.

  3. MISSE 2 PEACE Polymers Experiment Atomic Oxygen Erosion Yield Error Analysis

    NASA Technical Reports Server (NTRS)

    McCarthy, Catherine E.; Banks, Bruce A.; deGroh, Kim, K.

    2010-01-01

    Atomic oxygen erosion of polymers in low Earth orbit (LEO) poses a serious threat to spacecraft performance and durability. To address this, 40 different polymer samples and a sample of pyrolytic graphite, collectively called the PEACE (Polymer Erosion and Contamination Experiment) Polymers, were exposed to the LEO space environment on the exterior of the International Space Station (ISS) for nearly 4 years as part of the Materials International Space Station Experiment 1 & 2 (MISSE 1 & 2). The purpose of the PEACE Polymers experiment was to obtain accurate mass loss measurements in space to combine with ground measurements in order to accurately calculate the atomic oxygen erosion yields of a wide variety of polymeric materials exposed to the LEO space environment for a long period of time. Error calculations were performed in order to determine the accuracy of the mass measurements and therefore of the erosion yield values. The standard deviation, or error, of each factor was incorporated into the fractional uncertainty of the erosion yield for each of three different situations, depending on the post-flight weighing procedure. The resulting error calculations showed the erosion yield values to be very accurate, with an average error of 3.30 percent.

  4. Density functional theory simulation of titanium migration and reaction with oxygen in the early stages of oxidation of equiatomic NiTi alloy.

    PubMed

    Nolan, Michael; Tofail, Syed A M

    2010-05-01

    The biocompatibility of NiTi shape memory alloys (SMA) has made possible applications in self-expandable cardio-vascular stents, stone extraction baskets, catheter guide wires and other invasive and minimally invasive biomedical devices. The NiTi intermetallic alloy spontaneously forms a thin passive layer of TiO(2), which provides its biocompatibility. The oxide layer is thought to form as the Ti in the alloy surface reacts with oxygen, resulting in a depletion of Ti in the subsurface region - experimental evidence indicates formation of a Ni-rich layer below the oxide film. In this paper, we study the initial stages of oxide growth on the (110) surface of the NiTi alloy to understand the formation of alloy/oxide interface. We initially adsorb atomic and molecular oxygen on the (110) surface and then successively add O(2) molecules, up to 2 monolayer of O(2). Oxygen adsorption always results in a large energy gain. With atomic oxygen, Ti is pulled out of the surface layer leaving behind a Ni-rich subsurface region. Molecular O(2), on the other hand adsorbs dissociatively and pulls a Ti atom farther out of the surface layer. The addition of further O(2) up to 1 monolayer is also dissociative and results in complete removal of Ti from the initial surface layer. When further O(2) is added up to 2 monolayer, Ti is pulled even further out of the surface and a single thin layer of composition O-Ti-O is formed. The electronic structure shows that the metallic character of the alloy is unaffected by interaction with oxygen and formation of the oxide layer, consistent with the oxide layer being a passivant. Copyright 2010 Elsevier Ltd. All rights reserved.

  5. Adsorbate hopping via vibrational-mode coupling induced by femtosecond laser pulses

    NASA Astrophysics Data System (ADS)

    Ueba, H.; Hayashi, M.; Paulsson, M.; Persson, B. N. J.

    2008-09-01

    We study the heat transfer from femtosecond laser-heated hot electrons in a metal to adsorbates in the presence of vibrational-mode coupling. The theory is successfully applied to the experimental result of atomic oxygen hopping on a vicinal Pt(111) surface. The effective friction coupling between hot electrons and the vibrational mode relevant to the hopping motion depends on the transient temperature of the partner mode excited by hot electrons. The calculated two-pulse correlation and fluence dependence of the hopping probability reproduce the experimental results, which were previously analyzed using the hot-electron temperature (Te) -dependent friction ηa(Te) in a conventional heat transfer equation. A possible elementary process behind such a hypothetic modeling using ηa(Te) is discussed in terms of an indirect heating of the vibrational mode for hopping at the surface.

  6. The mystery of gold's chemical activity: local bonding, morphology and reactivity of atomic oxygen.

    PubMed

    Baker, Thomas A; Liu, Xiaoying; Friend, Cynthia M

    2011-01-07

    Recently, gold has been intensely studied as a catalyst for key synthetic reactions. Gold is an attractive catalyst because, surprisingly, it is highly active and very selective for partial oxidation processes suggesting promise for energy-efficient "green" chemistry. The underlying origin of the high activity of Au is a controversial subject since metallic gold is commonly thought to be inert. Herein, we establish that one origin of the high activity for gold catalysis is the extremely reactive nature of atomic oxygen bound in 3-fold coordination sites on metallic gold. This is the predominant form of O at low concentrations on the surface, which is a strong indication that it is most relevant to catalytic conditions. Atomic oxygen bound to metallic Au in 3-fold sites has high activity for CO oxidation, oxidation of olefins, and oxidative transformations of alcohols and amines. Among the factors identified as important in Au-O interaction are the morphology of the surface, the local binding site of oxygen, and the degree of order of the oxygen overlayer. In this Perspective, we present an overview of both theory and experiments that identify the reactive forms of O and their associated charge density distributions and bond strengths. We also analyze and model the release of Au atoms induced by O binding to the surface. This rough surface also has the potential for O(2) dissociation, which is a critical step if Au is to be activated catalytically. We further show the strong parallels between product distributions and reactivity for O-covered Au at low pressure (ultrahigh vacuum) and for nanoporous Au catalysts operating at atmospheric pressure as evidence that atomic O is the active species under working catalytic conditions when metallic Au is present. We briefly discuss the possible contributions of oxidants that may contain intact O-O bonds and of the Au-metal oxide support interface in Au catalysis. Finally, the challenges and future directions for fully

  7. Characterization of material surfaces exposed to atomic oxygen on space shuttle missions

    NASA Technical Reports Server (NTRS)

    Fromhold, A. T.

    1985-01-01

    Material samples prepared for exposure to ambient atomic oxygen encountered during space shuttle flights in low Earth orbit were characterized by the experimental techniques of ELLIPSOMETRY, ESCA, PIXE, and RBS. The first group of samples, which were exposed during the STS-8 mission, exhibited some very interesting results. The second group of samples, which are to be exposed during the upcoming STS-17 mission, have been especially prepared to yield quantitative information on the optical changes, oxygen solution, and surface layer formation on metal films of silver, gold, nickel, chromium, aluminum, platinum, and palladium evaporated onto optically polished silicon wafers.

  8. Probing ‘Spin-Forbidden’ Oxygen Atom Transfer: Gas-Phase Reactions of Chromium-Porphyrin Complexes

    PubMed Central

    Fornarini, Simonetta; Lanucara, Francesco; Warren, Jeffrey J.

    2010-01-01

    Oxygen-atom transfer reactions of metalloporphyrin species play an important role in biochemical and synthetic oxidation reactions. An emerging theme in this chemistry is that spin-state changes can play important roles, and a ‘two-state’ reactivity model has been extensively applied especially in iron-porphyrin systems. Herein we explore the gas phase oxygen-atom transfer chemistry of meso-tetrakis(pentafluorophenyl)porphyrin (TPFPP) chromium complexes, as well as some other tetradentate macrocyclic ligands. Electrospray ionization in concert with Fourier transform ion cyclotron resonance (FT-ICR) spectrometry has been used to characterize and observe reactivity of the ionic species [(TPFPP)CrIII]+ (1) and [(TPFPP)CrVO]+ (2). These are an attractive system to examine the effects of spin state change on oxygen atom transfer because the d1 CrV species are doublets while the CrIII complexes have quartet ground states with high-lying doublet excited states. In the gas phase, [(TPFPP)CrIII]+ forms adducts with a variety of neutral donors but O-atom transfer is only observed for NO2. Pyridine N-oxide adducts of 1 do yield 2 upon collision induced dissociation (CID), but the ethylene oxide, DMSO, and TEMPO analogs do not. [(TPFPP)CrVO]+ is shown by its reactivity and by CID experiments to be a terminal metal-oxo with a single vacant coordination site. It also displays limited reaction chemistry, being deoxygenated only by the very potent reductant P(OMe)3. In general, [(TPFPP)CrVO]+ species are much less reactive than the Fe and Mn analogs. Thermochemical analysis of the reactions points towards the involvement of spin issues in the lower observed reactivity of the chromium complexes. PMID:20218631

  9. Structural, electronic and optical properties of CO adsorbed on the defective anatase TiO2 (101) surface; a DFT study

    NASA Astrophysics Data System (ADS)

    Rafique, Muhammad; Shuai, Yong; Hassan, Muhammad

    2017-08-01

    This paper illustrates the study of stable structural, electronic and optical properties of carbon mono oxide (CO) molecule adsorbed on pure anatase TiO2 (101) surface and CO molecule adsorbed on defective anatase TiO2 (101) surface containing oxygen (O) atom subsurface vacancy using first-principles study calculations based on density functional theory (DFT) method. A foreign molecule CO was added in the interstitial space of anatase TiO2 (101) surface. It was observed that, adsorption of CO molecule is not favorable on pure anatase TiO2 (101) surface, however adsorption process is improved when subsurface contains O atom vacancy defect. In case of anatase TiO2 (101) surface containing subsurface vacancy, adsorption process is exothermic, resulting in stable structures. The adsorption energies calculated for CO molecules adsorbed at O2c site, at defect site and at Ti5c site of anatase surface containing subsurface O vacancy are 0.16 eV (at O2c), 0.32 eV (at defect site) and 0.43 eV (at Ti5c) site. DOS and PDOS plots are calculated for all the structures. Results indicated that CO molecule adsorption introduces surface states at the Fermi energy level (EF) as shown in partial density of states (PDOS) plots. The dielectric matrix and absorption coefficient (α) for defective anatase TiO2 (101) surface, CO adsorbed at O2c site, at defect site and at Ti5C site of anatase TiO2 (101) surface containing O atom subsurface vacancy has been calculated within the random phase approximation (RPA) using VASP (Vienna ab-initio simulation package) code. It was observed that upon CO adsorption at defective anatase surface, real and imaginary dielectric function peaks were shifted towards lower energy level and a small absorption peak was observed at 1.1 eV energy level which is not present in case of defective anatase (101) surface. CO adsorption produces a red shift in the absorption spectrum of anatase TiO2 (101) surface containing subsurface O atom vacancy.

  10. Periodic density functional theory study of ethylene hydrogenation over Co3O4 (1 1 1) surface: The critical role of oxygen vacancies

    NASA Astrophysics Data System (ADS)

    Lu, Jinhui; Song, JiaJia; Niu, Hongling; Pan, Lun; Zhang, Xiangwen; Wang, Li; Zou, Ji-Jun

    2016-05-01

    Recently, metal oxides are attracting increasing interests as hydrogenation catalyst. Herein we studied the hydrogenation of ethylene on perfect and oxygen defective Co3O4 (1 1 1) using periodic density functional theory. The energetics and pathways of ethylene hydrogenation to ethane were determined. We have demonstrated that (i) H2 dissociation on Co3O4 is a complicated two-step process through a heterolytic cleavage, followed by the migration of H atom and finally yields the homolytic product on both perfect and oxygen defective Co3O4 (1 1 1) surfaces easily. (ii) After introducing the surface oxygen vacancy, the stepwise hydrogenation of ethylene by atomic hydrogen is much easier than that on perfect surface due to the weaker bond strength of OH group. The strength of Osbnd H bond is a crucial factor for the hydrogenation reaction which involves the breakage of Osbnd H bond. The formation of oxygen vacancy increases the electronic charges at the adjacent surface O, which reduces its capability of further gaining electrons from adsorbed atomic hydrogen and then weakens the strength of Osbnd H bond. These results emphasize the importance of the oxygen vacancies for hydrogenation on metal oxides.

  11. Density-functional theory study of the initial oxygen incorporation in Pd(111)

    NASA Astrophysics Data System (ADS)

    Todorova, Mira; Reuter, Karsten; Scheffler, Matthias

    2005-05-01

    Pd(111) has recently been shown to exhibit a propensity to form a subnanometer thin surface oxide film already well before a full monolayer coverage of adsorbed O atoms is reached on the surface. Aiming at an atomic-scale understanding of this finding, we study the initial oxygen incorporation into the Pd(111) surface using density-functional theory. We find that oxygen incorporation into the sub-surface region starts at essentially the same coverage as formation of the surface oxide. This implies that the role of sub-surface oxygen should be considered as that of a metastable precursor in the oxidation process of the surface. The mechanisms found to play a role towards the ensuing stabilization of an ordered oxidic structure with a mixed on-surface/sub-surface site occupation follow a clear trend over the late 4d transition metal series, as seen by comparing our data to previously published studies concerned with oxide formation at the basal surface of Ru, Rh, and Ag. The formation of a linearly aligned O-TM-O trilayered structure (TM=Ru,Rh,Pd,Ag) , together with an efficient coupling to the underlying substrate seem to be key ingredients in this respect.

  12. Mid-latitude empirical model of the height distribution of atomic oxygen in the MLT region for different solar and geophysical conditions

    NASA Astrophysics Data System (ADS)

    Semenov, A.; Shefov, N.; Fadel, Kh.

    The model of altitude distributions of atomic oxygen in the region of the mesopause and lower thermosphere (MLT) is constructed on the basis of empirical models of variations of the intensities, temperatures and altitudes of maximum of the layers of the emissions of atomic oxygen at 557.7 nm, hydroxyl and Atmospheric system of molecular oxygen. An altitude concentration distribution of neutral components is determined on the basis of systematization of the long-term data of temperature of the middle atmosphere from rocket, nightglow and ionospheric measurements at heights of 30-110 km in middle latitudes. They include dependence on a season, solar activity and a long-term trend. Examples of results of calculation for different months of year for conditions of the lower and higher solar activity are presented. With increasing of solar activity, the height of a layer of a maximum of atomic oxygen becomes lower, and the thickness of the layer increases. There is a high correlation between characteristics of a layer of atomic oxygen and a maximum of temperature at heights of the mesopause and lower thermosphere. This work is supported by grant of ISTC No. 2274.

  13. Determination of the neutral oxygen atom density in a plasma reactor loaded with metal samples

    NASA Astrophysics Data System (ADS)

    Mozetic, Miran; Cvelbar, Uros

    2009-08-01

    The density of neutral oxygen atoms was determined during processing of metal samples in a plasma reactor. The reactor was a Pyrex tube with an inner diameter of 11 cm and a length of 30 cm. Plasma was created by an inductively coupled radiofrequency generator operating at a frequency of 27.12 MHz and output power up to 500 W. The O density was measured at the edge of the glass tube with a copper fiber optics catalytic probe. The O atom density in the empty tube depended on pressure and was between 4 and 7 × 1021 m-3. The maximum O density was at a pressure of about 150 Pa, while the dissociation fraction of O2 molecules was maximal at the lowest pressure and decreased with increasing pressure. At about 300 Pa it dropped below 10%. The measurements were repeated in the chamber loaded with different metallic samples. In these cases, the density of oxygen atoms was lower than that in the empty chamber. The results were explained by a drain of O atoms caused by heterogeneous recombination on the samples.

  14. Simulations of Ground and Space-Based Oxygen Atom Experiments

    NASA Technical Reports Server (NTRS)

    Minton, T. K.; Cline, J. A.; Braunstein, M.

    2002-01-01

    Fast, pulsed atomic oxygen sources are a key tool in ground-based investigations of spacecraft contamination and surface erosion effects. These technically challenging ground-based studies provide a before and after picture of materials under low-earth-orbit (LEO) conditions. It would be of great interest to track in real time the pulsed flux from the source to the surface sample target and beyond in order to characterize the population of atoms and molecules that actually impact the surface and those that make it downstream to any coincident detectors. We have performed simulations in order to provide such detailed descriptions of these ground-based measurements and to provide an assessment of their correspondence to the actual LEO environment. Where possible we also make comparisons to measured fluxes and erosion yields. To perform the calculations we use a detailed description of a measurement beam and surface geometry based on the W, pulsed apparatus at Montana State University. In this system, a short pulse (on the order of 10 microseconds) of an O/O2 beam impacts a flat sample about 40 cm downstream and slightly displaced &om the beam s central axis. Past this target, at the end of the beam axis is a quadrupole mass spectrometer that measures the relative in situ flux of 0102 to give an overall normalized erosion yield. In our simulations we use the Direct Simulation Monte Carlo (DSMC) method, and track individual atoms within the atomic oxygen pulse. DSMC techniques are typically used to model rarefied (few collision) gas-flows which occur at altitudes above approximately 110 kilometers. These techniques are well suited for the conditions here, and multi-collision effects that can only be treated by this or a similar technique are included. This simulation includes collisions with the surface and among gas atoms that have scattered from the surface. The simulation also includes descriptions of the velocity spread and spatial profiles of the O/O2 beam

  15. Enhancement of burning velocity by dissociated oxygen atoms

    NASA Astrophysics Data System (ADS)

    Akashi, Haruaki; Yoshinaga, Tomokazu; Sasaki, Koichi

    2015-09-01

    Green technology, such as preventing global warming, has been developed for years. Researches on plasma assisted combustion is one of the technologies and have been done for investigating more efficient combustion, more efficient use of fossil fuel with plasmas or applying electric fields. In the ignition time delay analyses with the dissociated oxygen atoms which is generated by non-equilibrium plasma had significant effect on the ignition time. In this paper, dissociated oxygen could effect on burning velocity or not has been examined using CHEMKIN. As a result, no effect can be seen with dissociation degree of lower than 10-3. But there is an effect on the enhancement of burning velocity with higher degree of 10-3. At the dissociation degree of 5×10-2, the burning velocity is enhanced at a factor of 1.24. And it is found that the distributions of each species in front of preheat zone are completely different. The combustion process is proceeded several steps in advance, and generation of H2O, CO and CO2 can be seen before combustion in higher dissociation case. This work was supported by KAKENHI (22340170).

  16. Abstractive dissociation of oxygen over Al(111): a nonadiabatic quantum model.

    PubMed

    Katz, Gil; Kosloff, Ronnie; Zeiri, Yehuda

    2004-02-22

    The dissociation of oxygen on a clean aluminum surface is studied theoretically. A nonadiabatic quantum dynamical model is used, based on four electronically distinct potential energy surfaces characterized by the extent of charge transfer from the metal to the adsorbate. A flat surface approximation is used to reduce the computation complexity. The conservation of the helicopter angular momentum allows Boltzmann averaging of the outcome of the propagation of a three degrees of freedom wave function. The dissociation event is simulated by solving the time-dependent Schrödinger equation for a period of 30 femtoseconds. As a function of incident kinetic energy, the dissociation yield follows the experimental trend. An attempt at simulation employing only the lowest adiabatic surface failed, qualitatively disagreeing with both experiment and nonadiabatic calculations. The final products, adsorptive dissociation and abstractive dissociation, are obtained by carrying out a semiclassical molecular dynamics simulation with surface hopping which describes the back charge transfer from an oxygen atom negative ion to the surface. The final adsorbed oxygen pair distribution compares well with experiment. By running the dynamical events backward in time, a correlation is established between the products and the initial conditions which lead to their production. Qualitative agreement is thus obtained with recent experiments that show suppression of abstraction by rotational excitation. (c) 2004 American Institute of Physics.

  17. Angular distribution of photoelectrons from atomic oxygen, nitrogen and carbon. [in upper atmosphere

    NASA Technical Reports Server (NTRS)

    Manson, S. J.; Kennedy, D. J.; Starace, A. F.; Dill, D.

    1974-01-01

    The angular distributions of photoelectrons from atomic oxygen, nitrogen, and carbon are calculated. Both Hartree-Fock and Hartree-Slater (Herman-Skillman) wave functions are used for oxygen, and the agreement is excellent; thus only Hartree-Slater functions are used for carbon and nitrogen. The pitch-angle distribution of photoelectrons is discussed, and it is shown that previous approximations of energy-independent isotropic or sin squared theta distributions are at odds with the authors' results, which vary with energy. This variation with energy is discussed, as is the reliability of these calculations.

  18. Enhancement of oxidative vaporization of chromium (III) oxide and chromium by oxygen atoms

    NASA Technical Reports Server (NTRS)

    Fryburg, G. C.; Kohl, F. J.; Stearns, C. A.

    1974-01-01

    Rates of oxidative vaporization of Cr2O3 were found to be markedly enhanced in the presence of O atoms. Investigations were conducted over the temperature range 470 to 1520 K. For Cr2O3 the enhancement was about 10 to the 9th power at 820 K in oxygen containing 2.5 percent atoms. Rapid oxidative vaporization of bare chromium was observed below 1070 K, the rate being about one-half that of Cr2O3. Results are interpreted in terms of thermochemical analysis.

  19. Electronic distributions within protein phenylalanine aromatic rings are reflected by the three-dimensional oxygen atom environments.

    PubMed Central

    Thomas, K A; Smith, G M; Thomas, T B; Feldmann, R J

    1982-01-01

    The atomic environments of 170 phenylalanine-residue aromatic rings from 28 protein crystal structures are transformed into a common orientation and combined to calculate an average three-dimensional environment. The spatial distribution of atom types in this environment reveals a preferred interaction between oxygen atoms and the edge of the planar aromatic rings. From the difference in frequency of interaction of oxygen atoms with the edge and the top of the ring, an apparent net free energy difference of interaction favoring the edge of the ring is estimated to be about -1 kcal/mol (1 cal = 4.184 J). Ab initio quantum mechanical calculations, performed on a model consisting of benzene and formamide, indicate that the observed geometry is stabilized by a favorable enthalpic interaction. Although benzene rings are considered to be nonpolar, the electron distribution is a complex multipole with no net dipole moment. The observed interaction orientation frequencies demonstrate that these multipolar electron distributions, when occurring at the short distances encountered in densely packed protein molecules, are significant determinants of internal packing geometries. PMID:6956896

  20. Atomic oxygen effects on candidate coatings for long-term spacecraft in low earth orbit

    NASA Technical Reports Server (NTRS)

    Lan, E. H.; Smith, Charles A.; Cross, J. B.

    1988-01-01

    Candidate atomic oxygen protective coatings for long-term low Earth orbit (LEO) spacecraft were evaluated using the Los Alamos National Laboratory O-atom exposure facility. The coatings studied include Teflon, Al2O3, SiO2, and SWS-V-10, a silicon material. Preliminary results indicate that sputtered PTFE Teflon (0.1 micrometers) has a fluence lifetime of 10 to the 19th power O-atoms/cm (2), and sputtered silicon dioxide (0.1 micrometers), aluminum oxide (0.1 micrometers), and SWS-V-10, a silicone, (4 micrometers) have fluence lifetimes of 10 to the 20th power to 10 to the 21st power O-atoms/cm (2). There are large variations in fluence lifetime data for these coatings.

  1. The Pressure Dependence of Oxygen Isotope Exchange Rates Between Solution and Apical Oxygen Atoms on the [UO2(OH)4]2- Ion

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Harley, Steven J.; Ohlin, C. André; Johnson, Rene L.

    2011-04-06

    Under pressure: The pressure dependence of isotope exchange rate was determined for apical oxygen atoms in the [UO2(OH)4]2-(aq) ion (see picture). The results can be interpreted to indicate an associative character of the reaction.

  2. Potential energy surfaces for atomic oxygen reactions: Formation of singlet and triplet biradicals as primary reaction products with unsaturated organic molecules

    NASA Technical Reports Server (NTRS)

    Jaffe, Richard L.

    1987-01-01

    The experimental study of the interaction of atomic oxygen with organic polymer films under LEO conditions has been hampered by the inability to conduct detailed experiments in situ. As a result, studies of the mechanism of oxygen atom reactions have relied on laboratory O-atom sources that do not fully reproduce the orbital environment. For example, it is well established that only ground electronic state O atoms are present at LEO, yet most ground-based sources are known to produce singlet O atoms and molecules and ions in addition to O(3P). Engineers should not rely on such facilities unless it can be demonstrated either that these different O species are inert or that they react in the same fashion as ground state atoms. Ab initio quantum chemical calculations have been aimed at elucidating the biradical intermediates formed during the electrophilic addition of ground and excited-state O atoms to carbon-carbon double bonds in small olefins and aromatic molecules. These biradicals are critical intermediates in any possible insertion, addition and elimination reaction mechanisms. Through these calculations, we will be able to comment on the relative importance of these pathways for O(3P) and O(1D) reactions. The reactions of O atoms with ethylene and benzene are used to illustrate the important features of the mechanisms of atomic oxygen reaction with unsaturated organic compounds and polymeric materials.

  3. Low Earth orbital atomic oxygen environmental simulation facility for space materials evaluation

    NASA Technical Reports Server (NTRS)

    Stidham, Curtis R.; Banks, Bruce A.; Stueber, Thomas J.; Dever, Joyce A.; Rutledge, Sharon K.; Bruckner, Eric J.

    1993-01-01

    Simulation of low Earth orbit atomic oxygen for accelerated exposure in ground-based facilities is necessary for the durability evaluation of space power system component materials for Space Station Freedom (SSF) and future missions. A facility developed at the National Aeronautics and Space Administrations's (NASA) Lewis Research Center provides accelerated rates of exposure to a directed or scattered oxygen beam, vacuum ultraviolet (VUV) radiation, and offers in-situ optical characterization. The facility utilizes an electron-cyclotron resonance (ECR) plasma source to generate a low energy oxygen beam. Total hemispherical spectral reflectance of samples can be measured in situ over the wavelength range of 250 to 2500 nm. Deuterium lamps provide VUV radiation intensity levels in the 115 to 200 nm range of three to five equivalent suns. Retarding potential analyses show distributed ion energies below 30 electron volts (eV) for the operating conditions most suited for high flux, low energy testing. Peak ion energies are below the sputter threshold energy (approximately 30 eV) of the protective coatings on polymers that are evaluated in the facility, thus allowing long duration exposure without sputter erosion. Neutral species are expected to be at thermal energies of approximately .04 eV to .1 eV. The maximum effective flux level based on polyimide Kapton mass loss is 4.4 x 10 exp 6 atoms/((sq. cm)*s), thus providing a highly accelerated testing capability.

  4. Adsorption Energies of Carbon, Nitrogen, and Oxygen Atoms on the Low-temperature Amorphous Water Ice: A Systematic Estimation from Quantum Chemistry Calculations

    NASA Astrophysics Data System (ADS)

    Shimonishi, Takashi; Nakatani, Naoki; Furuya, Kenji; Hama, Tetsuya

    2018-03-01

    We propose a new simple computational model to estimate the adsorption energies of atoms and molecules to low-temperature amorphous water ice, and we present the adsorption energies of carbon (3 P), nitrogen (4 S), and oxygen (3 P) atoms based on quantum chemistry calculations. The adsorption energies were estimated to be 14,100 ± 420 K for carbon, 400 ± 30 K for nitrogen, and 1440 ± 160 K for oxygen. The adsorption energy of oxygen is consistent with experimentally reported values. We found that the binding of a nitrogen atom is purely physisorption, while that of a carbon atom is chemisorption, in which a chemical bond to an O atom of a water molecule is formed. That of an oxygen atom has a dual character, with both physisorption and chemisorption. The chemisorption of atomic carbon also implies the possibility of further chemical reactions to produce molecules bearing a C–O bond, though this may hinder the formation of methane on water ice via sequential hydrogenation of carbon atoms. These properties would have a large impact on the chemical evolution of carbon species in interstellar environments. We also investigated the effects of newly calculated adsorption energies on the chemical compositions of cold dense molecular clouds with the aid of gas-ice astrochemical simulations. We found that abundances of major nitrogen-bearing molecules, such as N2 and NH3, are significantly altered by applying the calculated adsorption energy, because nitrogen atoms can thermally diffuse on surfaces, even at 10 K.

  5. Adsorption and Dissociation of Molecular Oxygen on the (0001) Surface of Double Hexagonal Close Packed Americium

    NASA Astrophysics Data System (ADS)

    Dholabhai, Pratik; Atta-Fynn, Raymond; Ray, Asok

    2008-03-01

    Oxygen molecule adsorption on (0001) surface of double hexagonal packed americium has been studied in detail within the framework of density functional theory using a full-potential all-electron linearized augmented plane wave plus local orbitals method. The most stable configuration corresponded to molecular dissociation with the oxygen atoms occupying neighboring three-fold hollow h3 sites. Chemisorption energies and adsorption geometries for the adsorbed species, and change in work functions, magnetic moments, partial charges inside muffin-tins, difference charge density distributions and density of states for the bare Am slab and the Am slab after adsorption of the oxygen molecule will be discussed. The effects of chemisorption on Am 5f electron localization-delocalization in the vicinity of the Fermi level and the reaction barrier calculation for the dissociation of oxygen molecule to the most stable h3 sites will be discussed.

  6. Reactivity of chemisorbed oxygen atoms and their catalytic consequences during CH4-O2 catalysis on supported Pt clusters.

    PubMed

    Chin, Ya-Huei Cathy; Buda, Corneliu; Neurock, Matthew; Iglesia, Enrique

    2011-10-12

    barrierless. In the absence of O(2), alternate weaker oxidants, such as H(2)O or CO(2), lead to a final kinetic regime in which C-H bond dissociation on *-* pairs at bare cluster surfaces limit CH(4) conversion rates. Rates become first-order in CH(4) and independent of coreactant and normal CH(4)/CD(4) kinetic isotope effects are observed. In this case, turnover rates increase with increasing dispersion, because low-coordination Pt atoms stabilize the C-H bond activation transition states more effectively via stronger binding to CH(3) and H fragments. These findings and their mechanistic interpretations are consistent with all rate and isotopic data and with theoretical estimates of activation barriers and of cluster size effects on transition states. They serve to demonstrate the essential role of the coverage and reactivity of chemisorbed oxygen in determining the type and effectiveness of surface structures in CH(4) oxidation reactions using O(2), H(2)O, or CO(2) as oxidants, as well as the diversity of rate dependencies, activation energies and entropies, and cluster size effects that prevail in these reactions. These results also show how theory and experiments can unravel complex surface chemistries on realistic catalysts under practical conditions and provide through the resulting mechanistic insights specific predictions for the effects of cluster size and surface coordination on turnover rates, the trends and magnitude of which depend sensitively on the nature of the predominant adsorbed intermediates and the kinetically relevant steps.

  7. Correlation between the sorption of dissolved oxygen onto chitosan and its antimicrobial activity against Esherichia coli.

    PubMed

    Gylienė, Ona; Servienė, Elena; Vepštaitė, Iglė; Binkienė, Rima; Baranauskas, Mykolas; Lukša, Juliana

    2015-10-20

    The ability of chitosan to adsorb dissolved oxygen from solution depends on its physical shape and is related to the surface area. Depending on conditions chitosan is capable of adsorbing or releasing oxygen. Chitosan, modificated by the substances possessing antimicrobial activity, such as succinic acid, Pd(II) ions, metallic Pd or Ag, distinctly increases the ability to adsorb the dissolved oxygen. The additional treatment of chitosan with air oxygen or electrochemically produced oxygen also increases the uptake of dissolved oxygen by chitosan. A strong correlation between the amount of oxygen adsorbed onto chitosan and its antimicrobial activity against Esherichia coli has been observed. This finding suggests that one of the sources of antimicrobial activity of chitosan is the ability to sorb dissolved oxygen, along with other well-known factors such as physical state and chemical composition. Copyright © 2015 Elsevier Ltd. All rights reserved.

  8. Atomic Oxygen Exposure of Power System and other Spacecraft Materials: Results of the EOIM-3 Experiment

    NASA Technical Reports Server (NTRS)

    Morton, Thomas L.; Ferguson, Dale C.

    1997-01-01

    In order to test their reactivity with Atomic Oxygen, twenty five materials were flown on the EOIM-3 (Evaluation of Oxygen Interactions with Materials) portion of the STS-46 Mission. These materials include refractory metals, candidate insulation materials, candidate radiator coatings, and a selection of miscellaneous materials. This report documents the results of the pre- and post-flight analysis of these materials.

  9. Ground radiation tests and flight atomic oxygen tests of ITO protective coatings for Galileo Spacecraft

    NASA Technical Reports Server (NTRS)

    Bouquet, Frank L.; Maag, Carl R.

    1986-01-01

    Radiation simulation tests (protons and electrons) were performed along with atomic oxygen flight tests aboard the Shuttle to space qualify the surface protective coatings. The results, which contributed to the selection of indium-tin-oxide (ITO) coated polyester as the material for the thermal blankets of the Galileo Spacecraft, are given here. Two candidate materials, polyester and Fluorglas, were radiation-tested to determine changes at simulated Jovian radiation levels. The polyester exhibited a smaller weight loss (2.8) than the Fluorglas (8.8 percent). Other changes of polyester are given. During low-earth orbit, prior to transit to Jupiter, the thermal blankets would be exposed to atomic oxygen. Samples of uncoated and ITO-coated polyesters were flown on the Shuttle. Qualitative results are given which indicated that the ITO coating protected the underlying polyester.

  10. An electrically conductive thermal control surface for spacecraft encountering Low-Earth Orbit (LEO) atomic oxygen indium tin oxide-coated thermal blankets

    NASA Technical Reports Server (NTRS)

    Bauer, J. L.

    1987-01-01

    An organic black thermal blanket material was coated with indium tin oxide (ITO) to prevent blanket degradation in the low Earth orbit (LEO) atomic oxygen environment. The blankets were designed for the Galileo spacecraft. Galileo was initially intended for space shuttle launch and would, therefore, have been exposed to atomic oxygen in LEO for between 10 and 25 hours. Two processes for depositing ITO are described. Thermooptical, electrical, and chemical properties of the ITO film are presented as a function of the deposition process. Results of exposure of the ITO film to atomic oxygen (from a shuttle flight) and radiation exposure (simulated Jovian environment) are also presented. It is shown that the ITO-protected thermal blankets would resist the anticipated LEO oxygen and Jovian radiation yet provide adequate thermooptical and electrical resistance. Reference is made to the ESA Ulysses spacecraft, which also used ITO protection on thermal control surfaces.

  11. Effects of oxygen concentration on atmospheric pressure dielectric barrier discharge in Argon-Oxygen Mixture

    NASA Astrophysics Data System (ADS)

    Li, Xuechun; Li, Dian; Wang, Younian

    2016-09-01

    A dielectric barrier discharge (DBD) can generate a low-temperature plasma easily at atmospheric pressure and has been investigated for applications in trials in cancer therapy, sterilization, air pollution control, etc. It has been confirmed that reactive oxygen species (ROS) play a key role in the processes. In this work, we use a fluid model to simulate the plasma characteristics for DBD in argon-oxygen mixture. The effects of oxygen concentration on the plasma characteristics have been discussed. The evolution mechanism of ROS has been systematically analyzed. It was found that the ground state oxygen atoms and oxygen molecular ions are the dominated oxygen species under the considered oxygen concentrations. With the oxygen concentration increasing, the densities of electrons, argon atomic ions, resonance state argon atoms, metastable state argon atoms and excited state argon atoms all show a trend of decline. The oxygen molecular ions density is high and little influenced by the oxygen concentration. Ground state oxygen atoms density tends to increase before falling. The ozone density increases significantly. Increasing the oxygen concentration, the discharge mode begins to change gradually from the glow discharge mode to Townsend discharge mode. Project supported by the National Natural Science Foundation of China (Grant No. 11175034).

  12. Investigation of atomic oxygen-surface interactions related to measurements with dual air density explorer satellites

    NASA Technical Reports Server (NTRS)

    Wood, B. J.; Ablow, C. M.; Wise, H.

    1973-01-01

    For a number of candidate materials of construction for the dual air density explorer satellites the rate of oxygen atom loss by adsorption, surface reaction, and recombination was determined as a function of surface and temperature. Plain aluminum and anodized aluminum surfaces exhibit a collisional atom loss probability alpha .01 in the temperature range 140 - 360 K, and an initial sticking probability. For SiO coated aluminum in the same temperature range, alpha .001 and So .001. Atom-loss on gold is relatively rapid alpha .01. The So for gold varies between 0.25 and unity in the temperature range 360 - 140 K.

  13. Spatial and temporal variations in infrared emissions of the upper atmosphere. 1. Atomic oxygen (λ 63 μm) emission

    NASA Astrophysics Data System (ADS)

    Semenov, A. I.; Medvedeva, I. V.; Perminov, V. I.; Khomich, V. Yu.

    2016-09-01

    Rocket and balloon measurement data on atomic-oxygen (λ 63 µm) emission in the upper atmosphere are presented. The data from the longest (1989-2003) period of measurements of the atomic-oxygen (λ 63 µm) emission intensity obtained by spectral instruments on sounding balloons at an altitude of 38 km at midlatitudes have been systematized and analyzed. Regularities in diurnal and seasonal variations in the intensity of this emission, as well as in its relation with solar activity, have been revealed.

  14. Oxidation of adsorbed ferrous iron: kinetics and influence of process conditions.

    PubMed

    Buamah, R; Petrusevski, B; Schippers, J C

    2009-01-01

    For the removal of iron from groundwater, aeration followed with rapid (sand) filtration is frequently applied. Iron removal in this process is achieved through oxidation of Fe(2 + ) in aqueous solution followed by floc formation as well as adsorption of Fe(2 + ) onto the filter media. The rate of oxidation of the adsorbed Fe(2 + ) on the filter media plays an important role in this removal process. This study focuses on investigating the effect of pH on the rate of oxidation of adsorbed Fe(2 + ). Fe(2 + ) has been adsorbed, under anoxic conditions, on iron oxide coated sand (IOCS) in a short filter column and subsequently oxidized by feeding the column with aerated water. Ferrous ions adsorbed at pH 5, 6, 7 and 8 demonstrated consumption of oxygen, when aerated water was fed into the column. The oxygen uptake at pH 7 and 8 was faster than at pH 5 and 6. However the difference was less pronounced than expected. The difference is attributed to the pH buffering effect of the IOCS. At feedwater pH 5, 6 and 7 the pH in the effluent was higher than in the influent, while a pH drop should occur because of oxidation of adsorbed Fe(2 + ). At pH 8, the pH dropped. These phenomena are attributed to the presence of calcium and /or ferrous carbonate in IOCS.

  15. Oxygen-atom transfer chemistry and thermolytic properties of a di-tert-butylphosphate-ligated Mn4O4 cubane.

    PubMed

    Van Allsburg, Kurt M; Anzenberg, Eitan; Drisdell, Walter S; Yano, Junko; Tilley, T Don

    2015-03-16

    [Mn4O4{O2P(OtBu)2}6] (1), an Mn4O4 cubane complex combining the structural inspiration of the photosystem II oxygen-evolving complex with thermolytic precursor ligands, was synthesized and fully characterized. Core oxygen atoms within complex 1 are transferred upon reaction with an oxygen-atom acceptor (PEt3), to give the butterfly complex [Mn4O2{O2P(OtBu)2}6(OPEt3)2]. The cubane structure is restored by reaction of the latter complex with the O-atom donor PhIO. Complex 1 was investigated as a precursor to inorganic Mn metaphosphate/pyrophosphate materials, which were studied by X-ray absorption spectroscopy to determine the fate of the Mn4O4 unit. Under the conditions employed, thermolyses of 1 result in reduction of the manganese to Mn(II) species. Finally, the related butterfly complex [Mn4O2{O2P(pin)}6(bpy)2] (pin = pinacolate) is described. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Evaluation of Thermal Control Coatings and Polymeric Materials Exposed to Ground Simulated Atomic Oxygen and Vacuum Ultraviolet Radiation

    NASA Technical Reports Server (NTRS)

    Kamenetzky, R. R.; Vaughn, J. A.; Finckenor, M. M.; Linton, R. C.

    1995-01-01

    Numerous thermal control and polymeric samples with potential International Space Station applications were evaluated for atomic oxygen and vacuum ultraviolet radiation effects in the Princeton Plasma Physics Laboratory 5 eV Neutral Atomic Oxygen Facility and in the MSFC Atomic Oxygen Drift Tube System. Included in this study were samples of various anodized aluminum samples, ceramic paints, polymeric materials, and beta cloth, a Teflon-impregnated fiberglass cloth. Aluminum anodizations tested were black duranodic, chromic acid anodize, and sulfuric acid anodize. Paint samples consisted of an inorganic glassy black paint and Z-93 white paint made with the original PS7 binder and the new K2130 binder. Polymeric samples evaluated included bulk Halar, bulk PEEK, and silverized FEP Teflon. Aluminized and nonaluminized Chemfab 250 beta cloth were also exposed. Samples were evaluated for changes in mass, thickness, solar absorptance, and infrared emittance. In addition to material effects, an investigation was made comparing diffuse reflectance/solar absorptance measurements made using a Beckman DK2 spectroreflectometer and like measurements made using an AZ Technology-developed laboratory portable spectroreflectometer.

  17. Relativistic potential energy surfaces of initial oxidations of Si(100) by atomic oxygen: The importance of surface dimer triplet state

    NASA Astrophysics Data System (ADS)

    Kim, Tae-Rae; Shin, Seokmin; Choi, Cheol Ho

    2012-06-01

    The non-relativistic and relativistic potential energy surfaces (PESs) of the symmetric and asymmetric reaction paths of Si(100)-2×1 oxidations by atomic oxygen were theoretically explored. Although only the singlet PES turned out to exist as a major channel leading to "on-dimer" product, both the singlet and triplet PESs leading to "on-top" products are attractive. The singlet PESs leading to the two surface products were found to be the singlet combinations (open-shell singlet) of the low-lying triplet state of surface silicon dimer and the ground 3P state of atomic oxygen. The triplet state of the "on-top" product can also be formed by the ground singlet state of the surface silicon dimer and the same 3P oxygen. The attractive singlet PESs leading to the "on-dimer" and "on-top" products made neither the intersystem crossings from triplet to singlet PES nor high energy 1D of atomic oxygen necessary. Rather, the low-lying triplet state of surface silicon dimer plays an important role in the initial oxidations of silicon surface.

  18. Numerical simulation of physicochemical interactions between oxygen atom and phosphatidylcholine due to direct irradiation of atmospheric pressure nonequilibrium plasma to biological membrane with quantum mechanical molecular dynamics

    NASA Astrophysics Data System (ADS)

    Uchida, Satoshi; Yoshida, Taketo; Tochikubo, Fumiyoshi

    2017-10-01

    Plasma medicine is one of the most attractive applications using atmospheric pressure nonequilibrium plasma. With respect to direct contact of the discharge plasma with a biological membrane, reactive oxygen species play an important role in induction of medical effects. However, complicated interactions between the plasma radicals and membrane have not been understood well. In the present work, we simulated elemental processes at the first stage of physicochemical interactions between oxygen atom and phosphatidylcholine using the quantum mechanical molecular dynamics code in a general software AMBER. The change in the above processes was classified according to the incident energy of oxygen atom. At an energy of 1 eV, the abstraction of a hydrogen atom and recombination to phosphatidylcholine were simultaneously occurred in chemical attachment of incident oxygen atom. The exothermal energy of the reaction was about 80% of estimated one based on the bond energies of ethane. An oxygen atom over 10 eV separated phosphatidylcholine partially. The behaviour became increasingly similar to physical sputtering. The reaction probability of oxygen atom was remarkably high in comparison with that of hydrogen peroxide. These results suggest that we can uniformly estimate various physicochemical dynamics of reactive oxygen species against membrane lipids.

  19. ReaxFF Grand Canonical Monte Carlo simulation of adsorption and dissociation of oxygen on platinum (111)

    NASA Astrophysics Data System (ADS)

    Valentini, Paolo; Schwartzentruber, Thomas E.; Cozmuta, Ioana

    2011-12-01

    Atomic-level Grand Canonical Monte Carlo (GCMC) simulations equipped with a reactive force field (ReaxFF) are used to study atomic oxygen adsorption on a Pt(111) surface. The off-lattice GCMC calculations presented here rely solely on the interatomic potential and do not necessitate the pre-computation of surface adlayer structures and their interpolation. As such, they provide a predictive description of adsorbate phases. In this study, validation is obtained with experimental evidence (steric heats of adsorption and isotherms) as well as DFT-based state diagrams available in the literature. The ReaxFF computed steric heats of adsorption agree well with experimental data, and this study clearly shows that indirect dissociative adsorption of O2 on Pt(111) is an activated process at non-zero coverages, with an activation energy that monotonically increases with coverage. At a coverage of 0.25 ML, a highly ordered p(2 × 2) adlayer is found, in agreement with several low-energy electron diffraction observations. Isotherms obtained from the GCMC simulations compare qualitatively and quantitatively well with previous DFT-based state diagrams, but are in disagreement with the experimental data sets available. ReaxFF GCMC simulations at very high coverages show that O atoms prefer to bind in fcc hollow sites, at least up to 0.8 ML considered in the present work. At moderate coverages, little to no disorder appears in the Pt lattice. At high coverages, some Pt atoms markedly protrude out of the surface plane. This observation is in qualitative agreement with recent STM images of an oxygen covered Pt surface. The use of the GCMC technique based on a transferable potential is particularly valuable to produce more realistic systems (adsorbent and adsorbate) to be used in subsequent dynamical simulations (Molecular Dynamics) to address recombination reactions (via either Eley-Rideal or Langmuir-Hinshelwood mechanisms) on variously covered surfaces. By using GCMC and Molecular

  20. A Spaceflight Experiment to Determine the Effect of Chamfered Sample Holders on Atomic Oxygen Erosion

    NASA Technical Reports Server (NTRS)

    Girish, Kshama; Banks, Bruce A.; De Groh, Kim K.

    2017-01-01

    The exteriors of low Earth orbit (LEO) spacecraft are subjected to many environmental threats that can cause the surface materials to degrade. One of these threats is atomic oxygen (AO), which is formed by photo dissociation of molecular oxygen by energetic UV radiation. Atomic oxygen exposure can result in oxidative erosion of polymers leading to structural or thermal failure of spacecraft components. The amount of AO erosion expected during a mission can be calculated by knowing the AO erosion yield (Ey, volume loss per incident atom) of the material and the AO fluence expected for the mission. The Ey can be determined through dehydrated mass loss measurements of test samples if one knows the AO fluence, density, and exposure area. Such measurements have been made as part of flight experiments, including the Materials International Space Station Experiment 2 (MISSE 2) Polymers Experiment. The MISSE 2 Polymers Experiment sample holders had chamfered circular apertures that controlled the exposure area, but also allowed some additional AO to scatter from the chamfered edges onto the samples thus causing some samples to erode thru and peel at their perimeter due to this scattering effect. By modeling the scattered AO flux one can predict the actual total AO fluence, and hence more accurate sample Ey. Sample holders with different chamfered-perimeter to exposed-area ratios have been designed for future spaceflight experiments that allow a more accurate determination of the Ey for large area polymers, representative of their use on spacecraft surfaces.

  1. Novel adhesive properties of poly(ethylene-oxide) adsorbed nanolayers

    NASA Astrophysics Data System (ADS)

    Zeng, Wenduo

    Solid-polymer interfaces play crucial roles in the multidisciplinary field of nanotechnology and are the confluence of physics, chemistry, biology, and engineering. There is now growing evidence that polymer chains irreversibly adsorb even onto weakly attractive solid surfaces, forming a nanometer-thick adsorbed polymer layer ("adsorbed polymer nanolayers"). It has also been reported that the adsorbed layers greatly impact on local structures and properties of supported polymer thin films. In this thesis, I aim to clarify adhesive and tribological properties of adsorbed poly(ethylene-oxide) (PEO) nanolayers onto silicon (Si) substrates, which remain unsolved so far. The adsorbed nanolayers were prepared by the established protocol: one has to equilibrate the melt or dense solution against a solid surface; the unadsorbed chains can be then removed by a good solvent, while the adsorbed chains are assumed to maintain the same conformation due to the irreversible freezing through many physical solid-segment contacts. I firstly characterized the formation process and the surface/film structures of the adsorbed nanolayers by using X-ray reflectivity, grazing incidence X-ray diffraction, and atomic force microscopy. Secondly, to compare the surface energy of the adsorbed layers with the bulk, static contact angle measurements with two liquids (water and glycerol) were carried out using a optical contact angle meter equipped with a video camera. Thirdly, I designed and constructed a custom-built adhesion-testing device to quantify the adhesive property. The experimental results provide new insight into the microscopic structure - macroscopic property relationship at the solid-polymer interface.

  2. O-, N-Atoms-Coordinated Mn Cofactors within a Graphene Framework as Bioinspired Oxygen Reduction Reaction Electrocatalysts.

    PubMed

    Yang, Yang; Mao, Kaitian; Gao, Shiqi; Huang, Hao; Xia, Guoliang; Lin, Zhiyu; Jiang, Peng; Wang, Changlai; Wang, Hui; Chen, Qianwang

    2018-05-28

    Manganese (Mn) is generally regarded as not being sufficiently active for the oxygen reduction reaction (ORR) compared to other transition metals such as Fe and Co. However, in biology, manganese-containing enzymes can catalyze oxygen-evolving reactions efficiently with a relative low onset potential. Here, atomically dispersed O and N atoms coordinated Mn active sites are incorporated within graphene frameworks to emulate both the structure and function of Mn cofactors in heme-copper oxidases superfamily. Unlike previous single-metal catalysts with general M-N-C structures, here, it is proved that a coordinated O atom can also play a significant role in tuning the intrinsic catalytic activities of transition metals. The biomimetic electrocatalyst exhibits superior performance for the ORR and zinc-air batteries under alkaline conditions, which is even better than that of commercial Pt/C. The excellent performance can be ascribed to the abundant atomically dispersed Mn cofactors in the graphene frameworks, confirmed by various characterization methods. Theoretical calculations reveal that the intrinsic catalytic activity of metal Mn can be significantly improved via changing local geometry of nearest coordinated O and N atoms. Especially, graphene frameworks containing the Mn-N 3 O 1 cofactor demonstrate the fastest ORR kinetics due to the tuning of the d electronic states to a reasonable state. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Atomic Oxygen Erosion of EVA-Stranded Soft-Goods on the ISS

    NASA Technical Reports Server (NTRS)

    Alred, John W.

    2017-01-01

    This paper presents the results of an analysis to calculate the cumulative, effective atomic oxygen (AO) flux impinging on short-duration EVA tethers used to secure panel NOD1/C2-02 and panel LAB/C2-03. Shadowing from the ram reduces the AO flux on much of the Node 1 panel. On the Lab panel, the tethers are essentially in the ram flux. Table 1 summarizes the results of the analysis for Node 1 and the US Lab panels.

  4. Oxygen and sulfur interactions with a clean iron surface and the effect of rubbing contact on these interactions

    NASA Technical Reports Server (NTRS)

    Buckley, D. H.

    1973-01-01

    The interaction of sulfur and oxygen with an iron surface was studied with Auger spectroscopy analysis both statically and during sliding-friction experiments in a vacuum environment. Oxygen, hydrogen sulfide, methyl mercaptan, and sulfur dioxide were adsorbed to an iron surface. Results indicate that sulfide films formed on clean iron surfaces are completely displaced by oxygen. Hydrocarbons containing sulfur, such as methyl mercaptan, adsorb dissociatively. Less sulfur is adsorbed during sliding with hydrogen sulfide and methyl mercaptan than in the absence of sliding. With both oxygen and sulfur dioxide, sliding did not affect the amount of material adsorbed to iron.

  5. Small Vacuum Compatible Hyperthermal Atom Generator

    NASA Technical Reports Server (NTRS)

    Outlaw, Ronald A. (Inventor); Davidson, Mark R. (Inventor)

    1998-01-01

    A vacuum compatible hyperthermal atom generator includes a membrane having two sides. the membrane having the capability of dissolving atoms into the membrane's bulk. A first housing is furnished in operative association with the first side of the membrane to provide for the exposure of the first side of the membrane to a gas species. A second housing is furnished in operative association with the second side of the membrane to provide a vacuum environment having a pressure of less than 1 x 10(exp -3) Torr on the second side of the membrane. Exciting means excites atoms adsorbed on the second side of the membrane to a non-binding state so that a portion from 0% to 100% of atoms adsorbed on the second side of is the membrane are released from the second side of the membrane primarily as an atom beam.

  6. Atomic Oxygen Energy in Low Frequency Hyperthermal Plasma Ashers

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.; Miller, Sharon K R.; Kneubel, Christian A.

    2014-01-01

    Experimental and analytical analysis of the atomic oxygen erosion of pyrolytic graphite as well as Monte Carlo computational modeling of the erosion of Kapton H (DuPont, Wilmington, DE) polyimide was performed to determine the hyperthermal energy of low frequency (30 to 35 kHz) plasma ashers operating on air. It was concluded that hyperthermal energies in the range of 0.3 to 0.9 eV are produced in the low frequency air plasmas which results in texturing similar to that in low Earth orbit (LEO). Monte Carlo computational modeling also indicated that such low energy directed ions are fully capable of producing the experimentally observed textured surfaces in low frequency plasmas.

  7. Effects of atomic oxygen and ultraviolet radiation on candidate elastomeric materials for long duration missions. Test series no.1

    NASA Technical Reports Server (NTRS)

    Linton, R. C.; Finckenor, M. M.; Kamenetzky, R. R.; Gray, P.

    1993-01-01

    Research was conducted at MSFC on the behavior of elastomeric materials after exposure to simulated space environment. Silicone S383 and Viton V747 samples were exposed to thermal vacuum, ultraviolet radiation, and atomic oxygen and then evaluated for changes in material properties. Characterization of the elastomeric materials included weight, hardness, optical inspection under normal and black light, spectrofluorescence, solar absorptance and emittance, Fourier transform infrared spectroscopy, and permeability. These results indicate a degree of sensitivity to exposure and provided some evidence of UV and atomic oxygen synergism.

  8. Atomic Oxygen Effects on Seal Leakage

    NASA Technical Reports Server (NTRS)

    Christensen, John R.; Underwood, Steve D.; Kamenetzky, Rachel R.; Vaughn, Jason A.

    1999-01-01

    Common Berthing Mechanism (CBM provides the structural interface between separate International Space Station (ISS) elements, such as the Laboratory and Node modules. The CBM consists of an active and a passive half that join together with structural bolts. The seal at this interface is the CBM-to-CBM molded seal. The CBM-to-CBM interface is assembled on orbit, thus the seals can be exposed to the space environment for up to 65 hours. Atomic Oxygen/Vacuum Ultraviolet radiation (AO/VUV) in space is a potential hazard to the seals. Testing was conducted to determine the effect on leakage of the CBM-to-CBM seal material exposed to AO/VUV. The sealing materials were S383 silicone and V835 fluorocarbon material. Control samples, which were not exposed to the AO/VUV environment, were used to ensure that ff any changes in leakage occurred, they could be attributed to the AO/VUV exposure. After exposure to the AO/VUV environment the leakage increase was dramatic for the fluorocarbon. This testing was a major contributing factor in selecting silicone as the CBM-to-CBM seal material.

  9. A Space Experiment to Measure the Atomic Oxygen Erosion of Polymers and Demonstrate a Technique to Identify Sources of Silicone Contamination

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.; deGroh, Kim K.; Baney-Barton, Elyse; Sechkar, Edward A.; Hunt, Patricia K.; Willoughby, Alan; Bemer, Meagan; Hope, Stephanie; Koo, Julie; Kaminski, Carolyn; hide

    1999-01-01

    A low Earth orbital space experiment entitled, "Polymers Erosion And Contamination Experiment", (PEACE) has been designed as a Get-Away Special (GAS Can) experiment to be accommodated as a Shuttle in-bay environmental exposure experiment. The first objective is to measure the atomic oxygen erosion yields of approximately 40 different polymeric materials by mass loss and erosion measurements using atomic force microscopy. The second objective is to evaluate the capability of identifying sources of silicone contamination through the use of a pin-hole contamination camera which utilizes environmental atomic oxygen to produce a contaminant source image on an optical substrate.

  10. Preparation and characterization of a novel adsorbent from Moringa oleifera leaf

    NASA Astrophysics Data System (ADS)

    Bello, Olugbenga Solomon; Adegoke, Kayode Adesina; Akinyunni, Opeyemi Omowumi

    2017-06-01

    A new and novel adsorbent was obtained by impregnation of Moringa oleifera leaf in H2SO4 and NaOH, respectively. Prepared adsorbents were characterized using elemental analysis, FT-IR, SEM, TGA and EDX analyses, respectively. The effects of operational parameters, such as pH, moisture content, ash content, porosity and iodine number on these adsorbents were investigated and compared with those of commercial activated carbon (CAC). EDX results of acid activated M. oleifera leaf have the highest percentage of carbon by weight (69.40 %) and (76.11 %) by atom, respectively. Proximate analysis showed that the fixed carbon content of acid activated M. oleifera leaf (69.14 ± 0.01) was the highest of all adsorbents studied. Conclusively, the present investigation shows that acid activated M. oleifera leaf is a good alternative adsorbent that could be used in lieu of CAC for recovery of dyes and heavy metal from aqueous solutions and other separation techniques.

  11. Effects of atomic oxygen on titanium dioxide thin film

    NASA Astrophysics Data System (ADS)

    Shimosako, Naoki; Hara, Yukihiro; Shimazaki, Kazunori; Miyazaki, Eiji; Sakama, Hiroshi

    2018-05-01

    In low earth orbit (LEO), atomic oxygen (AO) has shown to cause degradation of organic materials used in spacecrafts. Similar to other metal oxides such as SiO2, Al2O3 and ITO, TiO2 has potential to protect organic materials. In this study, the anatese-type TiO2 thin films were fabricated by a sol-gel method and irradiated with AO. The properties of TiO2 were compared using mass change, scanning electron microscope (SEM), atomic force microscope (AFM), X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), transmittance spectra and photocatalytic activity before and after AO irradiation. The results indicate that TiO2 film was hardly eroded and resistant against AO degradation. AO was shown to affects only the surface of a TiO2 film and not the bulk. Upon AO irradiation, the TiO2 films were slightly oxidized. However, these changes were very small. Photocatalytic activity of TiO2 was still maintained in spite of slight decrease upon AO irradiation, which demonstrated that TiO2 thin films are promising for elimination of contaminations outgassed from a spacecraft's materials.

  12. Prediction of In-Space Durability of Protected Polymers Based on Ground Laboratory Thermal Energy Atomic Oxygen

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.; deGroh, Kim K.; Rutledge, Sharon; DiFilippo, Frank J.

    1996-01-01

    The probability of atomic oxygen reacting with polymeric materials is orders of magnitude lower at thermal energies (greater than O.1 eV) than at orbital impact energies (4.5 eV). As a result, absolute atomic oxygen fluxes at thermal energies must be orders of magnitude higher than orbital energy fluxes, to produce the same effective fluxes (or same oxidation rates) for polymers. These differences can cause highly pessimistic durability predictions for protected polymers and polymers which develop protective metal oxide surfaces as a result of oxidation if one does not make suitable calibrations. A comparison was conducted of undercut cavities below defect sites in protected polyimide Kapton samples flown on the Long Duration Exposure Facility (LDEF) with similar samples exposed in thermal energy oxygen plasma. The results of this comparison were used to quantify predicted material loss in space based on material loss in ground laboratory thermal energy plasma testing. A microindent hardness comparison of surface oxidation of a silicone flown on the Environmental Oxygen Interaction with Materials-III (EOIM-III) experiment with samples exposed in thermal energy plasmas was similarly used to calibrate the rate of oxidation of silicone in space relative to samples in thermal energy plasmas exposed to polyimide Kapton effective fluences.

  13. Comparison of Hyperthermal Ground Laboratory Atomic Oxygen Erosion Yields With Those in Low Earth Orbit

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.; Dill, Grace C.; Loftus, Ryan J.; deGroh, Kim K.; Miller, Sharon K.

    2013-01-01

    The atomic oxygen erosion yields of 26 materials (all polymers except for pyrolytic graphite) were measured in two directed hyperthermal radio frequency (RF) plasma ashers operating at 30 or 35 kHz with air. The hyperthermal asher results were compared with thermal energy asher results and low Earth orbital (LEO) results from the Materials International Space Station Experiment 2 and 7 (MISSE 2 and 7) flight experiments. The hyperthermal testing was conducted to a significant portion of the atomic oxygen fluence similar polymers were exposed to during the MISSE 2 and 7 missions. Comparison of the hyperthermal asher prediction of LEO erosion yields with thermal energy asher erosion yields indicates that except for the fluorocarbon polymers of PTFE and FEP, the hyperthermal energy ashers are a much more reliable predictor of LEO erosion yield than thermal energy asher testing, by a factor of four.

  14. Selective photooxidation of hydrocarbons in zeolites by oxygen

    DOEpatents

    Frei, Heinz; Blatter, Fritz; Sun, Hai

    1998-01-01

    A selective photooxidation process for the conversion of hydrocarbon molecules to partially oxygenated derivatives, which comprises the steps of adsorbing a hydrocarbon and oxygen onto a dehydrated zeolite support matrix to form a hydrocarbon-oxygen contact pair, and subsequently exposing the hydrocarbon-oxygen contact pair to visible light, thereby forming a partially oxygenated derivative.

  15. Vibrational Relaxation of Ground-State Oxygen Molecules With Atomic Oxygen and Carbon Dioxide

    NASA Astrophysics Data System (ADS)

    Saran, D. V.; Pejakovic, D. A.; Copeland, R. A.

    2008-12-01

    Vertical water vapor profiles are key to understanding the composition and energy budget in the mesosphere and lower thermosphere (MLT). The SABER instrument onboard NASA's TIMED satellite measures such profiles by detecting H2O(ν2) emission in the 6.8 μm region. Collisional deactivation of vibrationally excited O2, O2(X3Σ-g, υ = 1) + H2O ↔ O2(X3Σ-g, υ = 0) + H2O(ν2), is an important source of H2O(ν2). A recent study has identified two other processes involving excited O2 that control H2O(ν2) population in the MLT: (1) the vibrational-translational (V-T) relaxation of O2(X3Σ-g, υ = 1) level by atomic oxygen and (2) the V-V exchange between CO2 and excited O2 molecules [1]. Over the past few years SRI researchers have measured the atomic oxygen removal process mentioned above at room temperature [2] and 240 K [3]. These measurements have been incorporated into the models for H2O(ν2) emission [1]. Here we report laboratory studies of the collisional removal of O2(X3Σ-g, υ = 1) by O(3P) at room temperature and below, reaching temperatures relevant to mesopause and polar summer MLT (~150 K). Instead of directly detecting the O2(X3Σ-g, υ = 1) population, a technically simpler approach is used in which the υ = 1 level of the O2(a1Δg) state is monitored. A two-laser method is employed, in which the pulsed output of the first laser near 285 nm photodissociates ozone to produce atomic oxygen and O2(a1Δg, υ = 1), and the pulsed output of the second laser detects O2(a1Δg, υ = 1) via resonance-enhanced multiphoton ionization. With ground-state O2 present, owing to the rapid equilibration of the O2(X3Σ-g, υ = 1) and O2(a1Δg, υ = 1) populations via the processes O2(a1Δg, υ = 1) + O2(X3Σ-g, υ = 0) ↔ O2(a1Δg, υ = 0) + O2(X3Σ-g, υ = 1), the information on the O2(X3Σ-g, υ = 1) kinetics is extracted from the O2(a1Δg, υ = 1) temporal evolution. In addition, measurements of the removal of O2(X3Σ-g, υ = 1) by CO2 at room temperature will also

  16. Activated carbon oxygen content influence on water and surfactant adsorption.

    PubMed

    Pendleton, Phillip; Wu, Sophie Hua; Badalyan, Alexander

    2002-02-15

    This research investigates the adsorption properties of three activated carbons (AC) derived from coconut, coal, and wood origin. Each carbon demonstrates different levels of resistance to 2 M NaOH treatment. The coconut AC offers the greatest and wood AC the least resistance. The influence of base treatment is mapped in terms of its effects on specific surface area, micropore volume, water adsorption, and dodecanoic acid adsorption from both water and 2 M NaOH solution. A linear relationship exists between the number of water molecules adsorbed at the B-point of the water adsorption isotherm and the oxygen content determined from elemental analysis. Surfactant adsorption isotherms from water and 2 M NaOH indicate that the AC oxygen content effects a greater dependence on affinity for surfactant than specific surface area and micropore volume. We show a linear relationship between the plateau amount of surfactant adsorbed and the AC oxygen content in both water and NaOH phases. The higher the AC oxygen content, the lower the amount of surfactant adsorbed. In contrast, no obvious relationship could be drawn between the surfactant amount adsorbed and the surface area.

  17. Mass loss of shuttle space suit orthofabric under simulated ionospheric atomic oxygen bombardment

    NASA Technical Reports Server (NTRS)

    Miller, W. L.

    1985-01-01

    Many polymeric materials used for thermal protection and insulation on spacecraft degrade significantly under prolonged bombardment by ionospheric atomic oxygen. The covering fabric of the multilayered shuttle space suit is composed of a loose weave of GORE-TEX fibers, Nomex and Kevlar-29, which are all polymeric materials. The complete evaluation of suit fabric degradation from ionospheric atomic oxygen is of importance in reevaluating suit lifetime and inspection procedures. The mass loss and visible physical changes of each test sample was determined. Kapton control samples and data from previous asher and flight tests were used to scale the results to reflect ionospheric conditions at about 220 km altitude. It is predicted that the orthofabric loses mass in the ionosphere at a rate of about 66% of the original orthofabric mass/yr. The outer layer of the two-layer orthofabric test samples shows few easily visible signs of degradation, even when observed at 440X. It is concluded that the orthofabric could suffer significant loss of performance after much less than a year of total exposure time, while the degradation might be undetectable in post flight visual examinations of space suits.

  18. The red and green lines of atomic oxygen in the nightglow of Venus

    NASA Technical Reports Server (NTRS)

    Fox, J. L.

    1990-01-01

    O(1D) and O(1S), the excited states that give rise to the atomic oxygen red and green lines, are produced in the Venus nightglow in dissociative recombination of O2(+). The emissions should also be excited by precipitation of soft electrons, the suggested source of the 'auroral' emission features of atomic oxygen at 1304 and 1356 A, which have been reported from observations of the Pioneer Venus Orbiter Ultraviolet Spectrometer. No emisison at 6300 or 5577 A was detected, however, by the visible spectrophotometers on the Soviet spacecraft Veneras 9 and 10; upper limits have been placed on the intensities of these features. The constraints placed on models for the auroral production mechanism by the Venera upper limits by modeling the intensities of the red and green lines in the nightglow are evaluated, combining a model for the vibrational distribution of O2(+) on the nightside of Venus with rate coefficients recently computed by Guberman for production of O(1S) and O(1D) in dissociative recombination of O2(+) from different vibrational levels. The integrated overhead intensities are 1 - 2 R for the green line and about 46 R for the red line.

  19. Defect and adsorbate induced ferromagnetic spin-order in magnesium oxide nanocrystallites

    NASA Astrophysics Data System (ADS)

    Kumar, Ashok; Kumar, Jitendra; Priya, Shashank

    2012-05-01

    We report the correlation between d0 ferromagnetism, photoluminescence (PL), and adsorbed hydrogen (H-) species in magnesium oxide (MgO) nanocrystallites. Our study suggests that the oxygen vacancies, namely singly ionized anionic vacancies (F+) and dimers (F22+) induce characteristic photoluminescence and the room-temperature ferromagnetic spin-order. Nanocrystallites with low population of oxygen vacancies have revealed diamagnetic behavior. Intriguingly, on adsorption of hydrogen (H-) species in the MgO nanocrystallites, ferromagnetic behavior was either enhanced (in the case of highly oxygen deficient nanocrystallites) or begun to percolate (in the case of nanocrystallite with low population density of oxygen vacancies).

  20. Effect of Solid to Liquid Ratio on Heavy Metal Removal by Geopolymer-Based Adsorbent

    NASA Astrophysics Data System (ADS)

    Ariffin, N.; Abdullah, M. M. A. B.; Arif Zainol, M. R. R. Mohd; Baltatu, M. S.; Jamaludin, L.

    2018-06-01

    Microstructure of three-dimensional aluminosilicate which similar to zeolite cause geopolymer based adsorbent accepted in the treatment of wastewater. This paper presents an investigation on the copper removal from the wastewater by varying the solid to liquid ratio in the fly ash, kaolin and sludge-based geopolymer adsorbent. The adsorption test was conducted to study the efficiency of the adsorbent and the copper concentration was examined by using Atomic Adsorption Spectrometry (AAS). The optimum solid to liquid ratio with the highest percentage removal were 1.0, 0.5 and 0.8 for fly ash-based geopolymer, kaolin-based geopolymer and sludge-based geopolymer adsorbent.

  1. Effect of Solar Exposure on the Atomic Oxygen Erosion of Hubble Space Telescope Aluminized-Teflon Thermal Shields

    NASA Astrophysics Data System (ADS)

    Guo, Aobo; Ashmead, Claire C.; de Groh, Kim K.; Sechkar, Edward A.

    When exposed to low Earth orbit (LEO) environment, external spacecraft materials degrade due to radiation, thermal cycling, micrometeoroid and debris impacts, and interaction with atomic oxygen (AO). Collisions between AO and spacecraft can result in oxidation of external spacecraft surface materials, which can lead to erosion and severe structural and/or optical properties deterioration. It is therefore essential to understand the AO erosion yield (Ey), the volume loss per incident oxygen atom (cm3/atom) of polymers to assure durability of spacecraft materials. The objective of this study was to determine whether solar radiation exposure can increase the rate of AO erosion of polymers in LEO. The material studied was a section of aluminized-Teflon® fluorinated ethylene propylene (Al-FEP) thermal shield exposed to space on the Hubble Space Telescope (HST) for 8.25 years. Retrieved samples were sectioned from the circular thermal shield and exposed to ground laboratory thermal energy AO. The results indicate that the average Ey of the solar facing HST Al-FEP was 1.9 × 10-24 cm3/atom, while the average Ey of the anti-solar HST Al-FEP was 1.5 × 10-24 cm3/atom. The Ey of the pristine samples was 1.6 to 1.7 × 10-24 cm3/atom. These results indicate that solar exposure affects the post-flight erosion rate of FEP in a plasma asher. Therefore, it likely affects the erosion rate while in LEO.

  2. Effect of Solar Exposure on the Atomic Oxygen Erosion of Hubble Space Telescope Aluminized-Teflon Thermal Shields

    NASA Technical Reports Server (NTRS)

    Guo, Aobo; Ashmead, Claire C.; deGroh, Kim K.

    2012-01-01

    When exposed to low Earth orbital (LEO) environment, external spacecraft materials degrade due to radiation, thermal cycling, micrometeoroid and debris impacts, and atomic oxygen (AO) interaction. Collisions between AO and spacecraft can result in oxidation of external spacecraft surface materials, which can lead to erosion and severe structural and/or optical property deterioration. It is therefore essential to understand the AO erosion yield (Ey), the volume loss per incident oxygen atom (cu cm/atom), of polymers to assure durability of spacecraft materials. The objective of this study was to determine whether solar radiation exposure can increase the rate of AO erosion of polymers in LEO. The material studied was a section of aluminized-Teflon (DuPont) fluorinated ethylene propylene (Al-FEP) thermal shield exposed to space on the Hubble Space Telescope (HST) for 8.25 years. Retrieved samples were sectioned from the circular thermal shield and exposed to ground laboratory thermal energy AO. The results indicate that the average Ey of the solar facing HST Al-FEP was 1.9 10(exp -24)cu cm/atom, while the average Ey of the anti-solar HST Al-FEP was 1.5 10(exp -24)cu cm/atom. The Ey of the pristine samples was 1.6- 1.7 10(exp -24)cu cm/atom. These results indicate that solar exposure affects the post-flight erosion rate of FEP in a plasma asher. Therefore, it likely affects the erosion rate while in LEO.

  3. Material Selection Guidelines to Limit Atomic Oxygen Effects on Spacecraft Surfaces

    NASA Technical Reports Server (NTRS)

    Dooling, D.; Finckenor, M. M.

    1999-01-01

    This report provides guidelines in selecting materials for satellites and space platforms, designed to operate within the Low-Earth orbit environment, which limit the effects of atomic oxygen interactions with spacecraft surfaces. This document should be treated as an introduction rather than a comprehensive guide since analytical and flight technologies continue to evolve, flight experiments are conducted as primary or piggyback opportunities arise, and our understanding of materials interactions and protection methods grows. The reader is urged to consult recent literature and current web sites containing information about research and flight results.

  4. Thermal O-H Bond Activation of Water as Mediated by Heteronuclear [Al2Mg2O5]•+: Evidence for Oxygen-Atom Scrambling.

    PubMed

    Geng, Caiyun; Li, Jilai; Weiske, Thomas; Schwarz, Helmut

    2018-06-25

    Mechanistic insight into the thermal O-H bond activation of water by the cubane-like, prototypical heteronuclear oxide cluster [Al 2 Mg 2 O 5 ] •+ has been derived from a combined experimental/computational study. Experiments in the highly diluted gas phase using Fourier transform ion-cyclotron resonance mass spectrometry show that hydrogen-atom abstraction from water by the cluster cation [Al 2 Mg 2 O 5 ] •+ occurs at ambient conditions accompanied by the liberation of an OH • radical. Due to a complete randomization of all oxygen atoms prior to fragmentation about 83% of the oxygen atoms of the hydroxyl radical released originate from the oxide cluster itself. The experimental findings are supported by detailed high-level quantum chemical calculations. The theoretical analysis reveals that the transfer of a formal hydrogen atom from water to the metal-oxide cation can proceed mechanistically via proton- or hydrogen-atom transfer exploiting different active sites of the cluster oxide. In addition to the unprecedented oxygen-atom scrambling, one of the more general and quite unexpected findings concerns the role of spin density at the hydrogen-acceptor oxide atom. While this feature is so crucial for [M-O] + /CH 4 couples, it is much less important in the O-H bond activation of water.

  5. Undercutting of defects in thin film protective coatings on polymer surfaces exposed to atomic oxygen

    NASA Technical Reports Server (NTRS)

    Rutledge, Sharon K.; Mihelcic, Judith A.

    1989-01-01

    Protection for polymeric surfaces is needed to make them durable in the low Earth orbital environment, where oxidation by atomic oxygen is the predominant failure mechanism. Thin film coatings of oxides such as silicon dioxide are viable candidates to provide this protection, but concern has been voiced over the ability of these coatings to protect when defects are present in the coating due to surface anomalies occurring during the deposition process, handling, or micrometeoroid and debris bombardment in low Earth orbit. When a defected coating protecting a polymer substrate is exposed to atomic oxygen, the defect provides a pathway to the underlying polymer allowing oxidation and subsequent undercutting to occur. Defect undercutting was studied for sputter deposited coatings of silicon dioxide on polyimide Kapton. Preliminary results indicate that undercutting may be limited as long as the coating remains intact with the substrate. Therefore, coatings may not need to be defect free to give protection to the underlying surface.

  6. Leveling coatings for reducing the atomic oxygen defect density in protected graphite fiber epoxy composites

    NASA Astrophysics Data System (ADS)

    Jaworske, D. A.; Degroh, Kim K.; Podojil, G.; McCollum, T.; Anzic, J.

    1992-11-01

    Pinholes or other defect sites in a protective oxide coating provide pathways for atomic oxygen in low Earth orbit to reach underlying material. One concept of enhancing the lifetime of materials in low Earth orbit is to apply a leveling coating to the material prior to applying any reflective and protective coatings. Using a surface tension leveling coating concept, a low viscosity epoxy was applied to the surface of several composite coupons. A protective layer of 1000 A of SiO2 was deposited on top of the leveling coating, and the coupons were exposed to an atomic oxygen environment in a plasma asher. Pinhole populations per unit area were estimated by counting the number of undercut sites observed by scanning electron microscopy. Defect density values of 180,000 defects/sq cm were reduced to about 1000 defects/sq cm as a result of the applied leveling coating. These improvements occur at a mass penalty of about 2.5 mg/sq cm.

  7. Leveling coatings for reducing the atomic oxygen defect density in protected graphite fiber epoxy composites

    NASA Technical Reports Server (NTRS)

    Jaworske, D. A.; Degroh, K. K.; Podojil, G.; Mccollum, T.; Anzic, J.

    1992-01-01

    Pinholes or other defect sites in a protective oxide coating provide pathways for atomic oxygen in low Earth orbit to reach underlying material. One concept for enhancing the lifetime of materials in low Earth orbits is to apply a leveling coating to the material prior to applying any reflective and protective coatings. Using a surface tension leveling coating concept, a low viscosity epoxy was applied to the surface of several composite coupons. A protective layer of 1000 A of SiO2 was deposited on top of the leveling coating, and the coupons were exposed to an atomic oxygen environment in a plasma asher. Pinhole populations per unit area were estimated by counting the number of undercut sites observed by scanning electron microscopy. Defect density values of 180,000 defects/sq cm were reduced to about 1000 defects/sq cm as a result of the applied leveling coating. These improvements occur at a mass penalty of about 2.5 mg/sq cm.

  8. Leveling coatings for reducing the atomic oxygen defect density in protected graphite fiber epoxy composites

    NASA Technical Reports Server (NTRS)

    Jaworske, D. A.; Degroh, Kim K.; Podojil, G.; Mccollum, T.; Anzic, J.

    1992-01-01

    Pinholes or other defect sites in a protective oxide coating provide pathways for atomic oxygen in low Earth orbit to reach underlying material. One concept of enhancing the lifetime of materials in low Earth orbit is to apply a leveling coating to the material prior to applying any reflective and protective coatings. Using a surface tension leveling coating concept, a low viscosity epoxy was applied to the surface of several composite coupons. A protective layer of 1000 A of SiO2 was deposited on top of the leveling coating, and the coupons were exposed to an atomic oxygen environment in a plasma asher. Pinhole populations per unit area were estimated by counting the number of undercut sites observed by scanning electron microscopy. Defect density values of 180,000 defects/sq cm were reduced to about 1000 defects/sq cm as a result of the applied leveling coating. These improvements occur at a mass penalty of about 2.5 mg/sq cm.

  9. Probing Atomic, Electronic, and Optical Structures of Nanoparticle Photocatalysts Using Fast Electrons

    NASA Astrophysics Data System (ADS)

    Liu, Qianlang

    Graphene has attracted great interest in many fields due to its outstanding electronic and chemical properties. Among them, its surface inertness and high thermal stability makes graphene a promising candidate as a protective material for transition metal surfaces. Recent studies show, however, that small molecules, such as O2, CO and H2O, intercalate between a graphene film and a metal substrate at particular temperatures. The intercalation of O2 between graphene and Ru(0001) is studied with 3 keV helium ion scattering and low energy electron diffraction. It is shown that O2 intercalates between the graphene and the Ru(0001) substrate at a temperature of 650 K and does not adsorb onto the graphene surface. Nevertheless, the graphene layer efficiently avoids both intercalation and adsorption of oxygen at room temperature. It is also found that the intercalated oxygen thermally desorbs from the surface after it is heated to 800 K. Such a desorption is not, however, observed for oxygen dissociatively adsorbed on a bare Ru(0001) surface until 1200 K. It is thus inferred that the oxygen intercalated between graphene and Ru(0001) is in a molecular form. In addition, part of the graphene overlayer is etched by a chemical reaction during the thermal desorption of oxygen. The role of the defects on the graphene layer is also studied. Defects are introduced by 50 eV Ar+ sputtering, which creates single vacancies with a quick sputtering or larger open areas of substrate following a prolonged sputtering. It is found that oxygen molecularly adsorbs at single carbon vacancies even at room temperature, which does not occur on a complete graphene layer. Following post-annealing to 600 K, it is observed that such adsorbed oxygen diffuses to become intercalated between graphene and Ru(0001). Oxygen dissociatively adsorbs in the large open areas of exposed substrate by forming strong oxygen-metal bonds. It is also found that the presence of defects facilitates the intercalation of

  10. Platinum Monolayer Electrocatalysts for Oxygen Reduction

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Vukmirovic, Miomir B.; Zhang, Junliang; Sasaki, Kotaro

    2007-01-20

    The research described in this product was performed in part in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. We have synthesized a new class of electrocatalysts for the oxygen reduction reaction, consisting of a monolayer of Pt or mixed monolayer of Pt and another late transition metal (Au, Pd, Ir, Ru, Rh, Re or Os) deposited on a Pd(1 1 1) single crystal or on carbon-supported Pd nanoparticles. Several of these electrocatalysts exhibited very high activity, amounting tomore » 20-fold increase in a Pt mass activity, compared with conventional all-Pt electrocatalysts. Their superior activity reflects a low OH coverage on Pt, caused by the lateral repulsion between the OH adsorbed on Pt and the OH or O adsorbed on neighboring, other than Pt, late transition metal atoms. The origin of this effect was identified through a combination of experimental and theoretical methods, employing electrochemical techniques, X-ray absorption spectroscopy, and periodic, self-consistent density functional theory calculations. This new class of electrocatalysts promises to alleviate some major problems of existing fuel cell technology by simultaneously decreasing materials cost and enhancing performance.« less

  11. Uptake of uranium from seawater by amidoxime-based polymeric adsorbent marine testing

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Tsouris, C.; Kim, J.; Oyola, Y.

    2013-07-01

    Amidoxime-based polymer adsorbents in the form of functionalized fibers were prepared at the Oak Ridge National Laboratory (ORNL) and screened in laboratory experiments, in terms of uranium uptake capacity, using spiked uranium solution and seawater samples. Batch laboratory experiments conducted with 5-gallon seawater tanks provided equilibrium information. Based on results from 5-gallon experiments, the best adsorbent was selected for field-testing of uranium adsorption from seawater. Flow-through column tests have been performed at different marine sites to investigate the uranium uptake rate and equilibrium capacity under diverse biogeochemistry. The maximum amount of uranium uptake from seawater tests at Sequim, WA, wasmore » 3.3 mg U/g adsorbent after eight weeks of contact of the adsorbent with seawater. This amount was three times higher than the maximum adsorption capacity achieved in this study by a leading adsorbent developed by the Japan Atomic Energy Agency (JAEA), which was 1.1 mg U/g adsorbent at equilibrium. The initial uranium uptake rate of the ORNL adsorbent was 2.6 times higher than that of the JAEA adsorbent under similar conditions. A mathematical model derived from the mass balance of uranium was employed to describe the data. (authors)« less

  12. Atomic research

    NASA Technical Reports Server (NTRS)

    Hadaway, James B.; Connatser, Robert; Cothren, Bobby; Johnson, R. B.

    1993-01-01

    Work performed by the University of Alabama in Huntsville's (UAH) Center for Applied Optics (CAO) entitled Atomic Research is documented. Atomic oxygen (AO) effects on materials have long been a critical concern in designing spacecraft to withstand exposure to the Low Earth Orbit (LEO) environment. The objective of this research effort was to provide technical expertise in the design of instrumentation and experimental techniques for analyzing materials exposed to atomic oxygen in accelerated testing at NASA/MSFC. Such testing was required to answer fundamental questions concerning Space Station Freedom (SSF) candidate materials and materials exposed to atomic oxygen aboard the Long-Duration Exposure Facility (LDEF). The primary UAH task was to provide technical design, review, and analysis to MSFC in the development of a state-of-the-art 5eV atomic oxygen beam facility required to simulate the RAM-induced low earth orbit (LEO) AO environment. This development was to be accomplished primarily at NASA/MSFC. In support of this task, contamination effects and ultraviolet (UV) simulation testing was also to be carried out using NASA/MSFC facilities. Any materials analysis of LDEF samples was to be accomplished at UAH.

  13. Singlet oxygen generation in gas discharge for oxygen-iodine laser pumping

    NASA Astrophysics Data System (ADS)

    Lopaev, D. V.; Braginsky, O. V.; Klopovsky, K. S.; Kovalev, A. S.; Mankelevich, Yu. A.; Popov, N. A.; Rakhimov, A. T.; Rakhimova, T. V.; Vasilieva, A. N.

    2004-09-01

    The possibility of development of effective discharged singlet oxygen (SO) generator (DSOG) for oxygen-iodine laser (OIL) is studied in detail. Researches of kinetics of oxygen atoms and oxygen molecules in the lowest metastable singlet states have been carried out in the different discharges and its afterglow (DC discharges, E-beam controlled discharge and RF discharges) in both CW and pulsed mode in a wide range of conditions (pressures, gas mixtures, energy deposits etc.). The models developed for all the discharges have allowed us to analyze SO generation and loss mechanisms and to find out the key-parameters controlling the highest SO yield. It is shown that in addition to spatial plasma uniformity at low E/N and high specific energy deposit per oxygen molecule, DSOG must be oxygen atom free to avoid fast three-body quenching of SO by atomic oxygen with increasing pressure and thereby to provide pressure scaling (in tens Torrs) for applying to real OIL systems.

  14. Oxygen-driving and atomized mucosolvan inhalation combined with holistic nursing in the treatment of children severe bronchial pneumonia.

    PubMed

    Yang, Fang

    2015-07-01

    This paper aimed to discuss the method, effect and safety of oxygen-driving and atomized Mucosolvan inhalation combined with holistic nursing in the treatment of children severe bronchial pneumonia. Totally 90 children with severe bronchial pneumonia who were treated in our hospital from March 2013 to November 2013 were selected as the research objects. Based on randomized controlled principle, those children were divided into control group, test group I and test group II according to the time to enter the hospital, 30 in each group. Patients in control group was given conventional therapy; test group I was given holistic nursing combined with conventional therapy; test group II was given oxygen-driving and atomized Mucosolvan inhalation combined with holistic nursing on the basis of conventional therapy. After test, the difference of main symptoms in control group, test group I and II was of no statistical significance (P>0.05). Test group II was found with the best curative effect, secondary was test group I and control group was the last. It can be concluded that, oxygen-driving and atomized Mucosolvan inhalation combined with holistic nursing has certain effect in the treatment of children severe bronchial pneumonia and is better than holistic nursing only.

  15. Uranium Adsorbent Fibers Prepared by Atom-Transfer Radical Polymerization (ATRP) from Poly(vinyl chloride)- co -chlorinated Poly(vinyl chloride) (PVC- co -CPVC) Fiber

    DOE PAGES

    Brown, Suree; Yue, Yanfeng; Kuo, Li-Jung; ...

    2016-03-11

    The need to secure future supplies of energy attracts researchers in several countries to a vast resource of nuclear energy fuel: uranium in seawater (estimated at 4.5 billion tons in seawater). In this study, we developed effective adsorbent fibers for the recovery of uranium from seawater via atom-transfer radical polymerization (ATRP) from a poly-(vinyl chloride)-co-chlorinated poly(vinyl chloride) (PVC-co-CPVC) fiber. ATRP was employed in the surface graft polymerization of acrylonitrile (AN) and tert-butyl acrylate (tBA), precursors for uranium-interacting functional groups, from PVC-co-CPVC fiber. The [tBA]/[AN] was systematically varied to identify the optimal ratio between hydrophilic groups (from tBA) and uranyl-binding ligandsmore » (from AN). The best performing adsorbent fiber, the one with the optimal [tBA]/[AN] ratio and a high degree of grafting (1390%), demonstrated uranium adsorption capacities that are significantly greater than those of the Japan Atomic Energy Agency (JAEA) reference fiber in natural seawater tests (2.42 3.24 g/kg in 42 days of seawater exposure and 5.22 g/kg in 49 days of seawater exposure, versus 1.66 g/kg in 42 days of seawater exposure and 1.71 g/kg in 49 days of seawater exposure for JAEA). Lastly, adsorption of other metal ions from seawater and their corresponding kinetics were also studied. The grafting of alternative monomers for the recovery of uranium from seawater is now under development by this versatile technique of ATRP.« less

  16. Uranium Adsorbent Fibers Prepared by Atom-Transfer Radical Polymerization (ATRP) from Poly(vinyl chloride)- co -chlorinated Poly(vinyl chloride) (PVC- co -CPVC) Fiber

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Brown, Suree; Yue, Yanfeng; Kuo, Li-Jung

    The need to secure future supplies of energy attracts researchers in several countries to a vast resource of nuclear energy fuel: uranium in seawater (estimated at 4.5 billion tons in seawater). In this study, we developed effective adsorbent fibers for the recovery of uranium from seawater via atom-transfer radical polymerization (ATRP) from a poly-(vinyl chloride)-co-chlorinated poly(vinyl chloride) (PVC-co-CPVC) fiber. ATRP was employed in the surface graft polymerization of acrylonitrile (AN) and tert-butyl acrylate (tBA), precursors for uranium-interacting functional groups, from PVC-co-CPVC fiber. The [tBA]/[AN] was systematically varied to identify the optimal ratio between hydrophilic groups (from tBA) and uranyl-binding ligandsmore » (from AN). The best performing adsorbent fiber, the one with the optimal [tBA]/[AN] ratio and a high degree of grafting (1390%), demonstrated uranium adsorption capacities that are significantly greater than those of the Japan Atomic Energy Agency (JAEA) reference fiber in natural seawater tests (2.42 3.24 g/kg in 42 days of seawater exposure and 5.22 g/kg in 49 days of seawater exposure, versus 1.66 g/kg in 42 days of seawater exposure and 1.71 g/kg in 49 days of seawater exposure for JAEA). Lastly, adsorption of other metal ions from seawater and their corresponding kinetics were also studied. The grafting of alternative monomers for the recovery of uranium from seawater is now under development by this versatile technique of ATRP.« less

  17. Uranium Adsorbent Fibers Prepared by Atom-Transfer Radical Polymerization (ATRP) from Poly(vinyl chloride)- co -chlorinated Poly(vinyl chloride) (PVC- co -CPVC) Fiber

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Brown, Suree; Yue, Yanfeng; Kuo, Li-Jung

    The need to secure future supplies of energy attracts researchers in several countries to a vast resource of nuclear energy fuel: uranium in seawater (estimated at 4.5 billion tons in seawater). In this study, we developed effective adsorbent fibers for the recovery of uranium from seawater via atom-transfer radical polymerization (ATRP) from a poly- (vinyl chloride)-co-chlorinated poly(vinyl chloride) (PVC-co-CPVC) fiber. ATRP was employed in the surface graft polymerization of acrylonitrile (AN) and tert-butyl acrylate (tBA), precursors for uranium-interacting functional groups, from PVC-co-CPVC fiber. The [tBA]/[AN] was systematically varied to identify the optimal ratio between hydrophilic groups (from tBA) and uranyl-bindingmore » ligands (from AN). The best performing adsorbent fiber, the one with the optimal [tBA]/[AN] ratio and a high degree of grafting (1390%), demonstrated uranium adsorption capacities that are significantly greater than those of the Japan Atomic Energy Agency (JAEA) reference fiber in natural seawater tests (2.42-3.24 g/kg in 42 days of seawater exposure and 5.22 g/kg in 49 days of seawater exposure, versus 1.66 g/kg in 42 days of seawater exposure and 1.71 g/kg in 49 days of seawater exposure for JAEA). Adsorption of other metal ions from seawater and their corresponding kinetics were also studied. The grafting of alternative monomers for the recovery of uranium from seawater is now under development by this versatile technique of ATRP.« less

  18. Quantum impurity models for magnetic adsorbates on superconductor surfaces

    NASA Astrophysics Data System (ADS)

    Žitko, Rok

    2018-05-01

    Magnetic atoms adsorbed on surfaces have a quenched orbital moment while their ground-state spin multiplet is partially split as a consequence of the spin-orbit coupling which, even if intrinsically weak, has a large effect due to the abrupt change of the potential at the surface. Such metal adsorbates should be modelled using quantum impurity models that include the relevant internal degrees of freedom and the interaction terms, in particular the magnetic anisotropy and the Kondo exchange coupling. When adsorbed on superconducting surfaces, these impurities have complex spectra of sub-gap excitations due to magnetic anisotropy splitting and Kondo screening. Both anisotropy splitting and Zeeman splitting due to the external magnetic field are significantly renormalized by the coupling to the substrate electrons. In this work I discuss the quantum-to-classical crossover and the applicability of classical static-local-spin picture for discussing magnetic nanostructures on superconductors.

  19. Effects of hydration and oxygen vacancy on CO2 adsorption and activation on beta-Ga2O3(100).

    PubMed

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

    2010-04-20

    The effects of hydration and oxygen vacancy on CO(2) adsorption on the beta-Ga(2)O(3)(100) surface have been studied using density functional theory slab calculations. Adsorbed CO(2) is activated on the dry perfect beta-Ga(2)O(3)(100) surface, resulting in a carbonate species. This adsorption is slightly endothermic, with an adsorption energy of 0.07 eV. Water is preferably adsorbed molecularly on the dry perfect beta-Ga(2)O(3)(100) surface with an adsorption energy of -0.56 eV, producing a hydrated perfect beta-Ga(2)O(3)(100) surface. Adsorption of CO(2) on the hydrated surface as a carbonate species is also endothermic, with an adsorption energy of 0.14 eV, indicating a slightly repulsive interaction when H(2)O and CO(2) are coadsorbed. The carbonate species on the hydrated perfect surface can be protonated by the coadsorbed H(2)O to a bicarbonate species, making the CO(2) adsorption exothermic, with an adsorption energy of -0.13 eV. The effect of defects on CO(2) adsorption and activation has been examined by creating an oxygen vacancy on the dry beta-Ga(2)O(3)(100) surface. The formation of an oxygen vacancy is endothermic, by 0.34 eV, with respect to a free O(2) molecule in the gas phase. Presence of the oxygen vacancy promoted the adsorption and activation of CO(2). In the most stable CO(2) adsorption configuration on the dry defective beta-Ga(2)O(3)(100) surface with an oxygen vacancy, one of the oxygen atoms of the adsorbed CO(2) occupies the oxygen vacancy site, and the CO(2) adsorption energy is -0.31 eV. Water favors dissociative adsorption at the oxygen vacancy site on the defective surface. This process is spontaneous, with a reaction energy of -0.62 eV. These results indicate that, when water and CO(2) are present in the adsorption system simultaneously, water will compete with CO(2) for the oxygen vacancy sites and impact CO(2) adsorption and conversion negatively.

  20. Direct atomic-scale imaging of hydrogen and oxygen interstitials in pure niobium using atom-probe tomography and aberration-corrected scanning transmission electron microscopy.

    PubMed

    Kim, Yoon-Jun; Tao, Runzhe; Klie, Robert F; Seidman, David N

    2013-01-22

    Imaging the three-dimensional atomic-scale structure of complex interfaces has been the goal of many recent studies, due to its importance to technologically relevant areas. Combining atom-probe tomography and aberration-corrected scanning transmission electron microscopy (STEM), we present an atomic-scale study of ultrathin (~5 nm) native oxide layers on niobium (Nb) and the formation of ordered niobium hydride phases near the oxide/Nb interface. Nb, an elemental type-II superconductor with the highest critical temperature (T(c) = 9.2 K), is the preferred material for superconducting radio frequency (SRF) cavities in next-generation particle accelerators. Nb exhibits high solubilities for oxygen and hydrogen, especially within the RF-field penetration depth, which is believed to result in SRF quality factor losses. STEM imaging and electron energy-loss spectroscopy followed by ultraviolet laser-assisted local-electrode atom-probe tomography on the same needle-like sample reveals the NbO(2), Nb(2)O(5), NbO, Nb stacking sequence; annular bright-field imaging is used to visualize directly hydrogen atoms in bulk β-NbH.

  1. Lessons Learned From Atomic Oxygen Interaction With Spacecraft Materials in Low Earth Orbit

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.; deGroh, Kim, K.; Miller, Sharon K.; Waters, Deborah L.

    2008-01-01

    There have been five Materials International Space Station Experiment (MISSE) passive experiment carriers (PECs) (MISSE 1-5) to date that have been launched, exposed in space on the exterior of International Space Station (ISS) and then returned to Earth for analysis. An additional four MISSE PECs (MISSE 6A, 6B, 7A, and 7B) are in various stages of completion. The PECs are two-sided suitcase to size sample carriers that are intended to provide information on the effects of the low Earth orbital environment on a wide variety of materials and components. As a result of post retrieval analyses of the retrieved MISSE 2 experiments and numerous prior space experiments, there have been valuable lessons learned and needs identified that are worthy of being documented so that planning, design, and analysis of future space environment experiments can benefit from the experience in order to maximize the knowledge gained. Some of the lessons learned involve the techniques, concepts, and issues associated with measuring atomic oxygen erosion yields. These are presented along with several issues to be considered when designing experiments, such as the uncertainty in mission duration, scattering and contamination effects on results, and the accuracy of measuring atomic oxygen erosion.

  2. Interplay of polyelectrolytes with different adsorbing surfaces

    NASA Astrophysics Data System (ADS)

    Xie, Feng

    We study the adsorption of polyelectrolytes from solution onto different adsorbing surfaces, focusing on the electrostatic interactions. Measurements of the surface excess, fractional ionization of chargeable groups, segmental orientation, and adsorption kinetics were made using Fourier transform infrared spectroscopy in the mode of attenuated total reflection. Different adsorbing surfaces, from single solid surfaces, solid surfaces modified with adsorbed polymer layer, to fluid-like surfaces-biomembranes were adopted. Both atomic force microscopy (AFM) and fluorescent techniques were employed to investigate the fluid-like surfaces in the absence and in the presence of polyelectrolytes. The work focuses on three primary issues: (i) the charge regulation of weak polyelectrolytes on both homogeneous and heterogeneous surfaces, (ii) the dynamics of adsorption when the surface possesses reciprocal mobility, i.e., biomembrane surface, and (iii) the structural and dynamical properties of the fluid-like surfaces interacting with polyelectrolytes. We find that the ionization of chargeable groups in weak polyelectrolytes is controlled by the charge balance between the adsorbates and the surfaces. A new interpretation of ionization in the adsorbed layer provides a new insight into the fundamental problem of whether ions of opposite charge associate or remain separate. Bjerrum length is found to be a criterion for the onset of surface ionization suppression, which helps to predict and control the conformation transition of proteins. In addition to the effect of different surfaces on the adsorption behavior of polyelectrolytes, we also focused on the response of the surfaces to the adsorbates. Chains that encountered sparsely-covered surfaces spread to maximize the number of segment-surface contacts at rates independent of the molar mass. Surface reconstruction rather than molar mass of the adsorbing molecules appeared to determine the rate of spreading. This contrasts starkly

  3. Probing the dynamics of 3He atoms adsorbed on MCM-41 with pulsed NMR

    NASA Astrophysics Data System (ADS)

    Huan, C.; Masuhara, N.; Adams, J.; Lewkowitz, M.; Sullivan, N. S.

    2018-03-01

    We report measurements of the nuclear spin-spin and spin-lattice relaxation times for 3He adsorbed on MCM-41 for temperatures 0.08 < T < 1.2 K. Deviations from Curie behavior are observed at low temperatures. The relaxation times exhibit a two-component behavior representing the differing dynamics of the mobile quasi-free molecules in the center of the tubes compared to the adsorbed layer on the walls. The amplitudes of the two components provide an accurate measure of the number of fluid-like molecules traveling in the center of the nanotubes.

  4. Effects of Hydration and Oxygen Vacancy on CO2 Adsorption and Activation on β-Ga2O3(100)

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Pan, Yunxiang; Liu, Chang-jun; Mei, Donghai

    The effects of hydration and oxygen vacancy on CO2 adsorption on the β-Ga2O3(100) surface have been studied using density functional theory slab calculations. Adsorbed CO2 is activated on the dry perfect β-Ga2O3(100) surface, resulting in a carbonate species. This adsorption is slightly endothermic, with an adsorption energy of 0.07 eV. Water is preferably adsorbed molecularly on the dry perfect β-Ga2O3(100) surface with an adsorption energy of -0.56 eV, producing a hydrated perfect β-Ga2O3(100) surface. Adsorption of CO2 on the hydrated surface as a carbonate species is also endothermic, with an adsorption energy of 0.14 eV, indicating a slight repulsive interactionmore » when H2O and CO2 are coadsorbed. The carbonate species on the hydrated perfect surface can be protonated by the co-adsorbed H2O to a bicarbonate species, making the overall process exothermic with an adsorption energy of -0.13 eV. The effect of defects on CO2 adsorption and activation has been examined by creating an oxygen vacancy on the dry β-Ga2O3(100) surface. The formation of an oxygen vacancy is endothermic, by 0.34 eV, with respect to a free O2 molecule in the gas phase. Presence of the oxygen vacancy promoted the adsorption and activation of CO2. In the most stable CO2 adsorption configuration on the dry defective β-Ga2O3(100) surface with an oxygen vacancy, one of the oxygen atoms of the adsorbed CO2 occupies the oxygen vacancy site and the CO2 adsorption energy is -0.31 eV. Water favors dissociative adsorption at the oxygen vacancy site on the defective surface. This process is instantaneous with an adsorption energy of -0.62 eV. These results indicate that, when water and CO2 are both present in the adsorption system simultaneously, the water molecule will compete with CO2 for the oxygen vacancy sites and impact CO2 adsorption and conversion negatively. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy. A portion of the computing time

  5. Electron ionization of metastable nitrogen and oxygen atoms in relation to the auroral emissions

    NASA Astrophysics Data System (ADS)

    Pandya, Siddharth; Joshipura, K. N.

    Atomic and molecular excited metastable states (EMS) are exotic systems due to their special properties like long radiative life-time, large size (average radius) and large polarizability along with relatively smaller first ionization energy compared to their respective ground states (GS). The present work includes our theoretical calculations on electron impact ionization of metastable atomic states N( (2) P), N( (2) D) of nitrogen and O( (1) S), O( (1) D) of oxygen. The targets of our present interest, are found to be present in our Earth's ionosphere and they play an important role in auroral emissions observed in Earth’s auroral regions [1] as also in the emissions observed from cometary coma [2, 3] and airglow emissions. In particular, atomic oxygen in EMS can radiate, the visible O( (1) D -> (3) P) doublet 6300 - 6364 Å red doublet, the O( (1) S -> (1) D) 5577 Å green line, and the ultraviolet O( (1) S -> (3) P) 2972 Å line. For metastable atomic nitrogen one observes the similar emissions, in different wavelengths, from (2) D and (2) P states. At the Earth's auroral altitudes, from where these emissions take place in the ionosphere, energetic electrons are also present. In particular, if the metastable N as well as O atoms are ionized by the impact of electrons then these species are no longer available for emissions. This is a possible loss mechanism, and hence it is necessary to analyze the importance of electron ionization of the EMS of atomic O and N, by calculating the relevant cross sections. In the present paper we investigate electron ionization of the said metastable species by calculating relevant total cross sections. Our quantum mechanical calculations are based on projected approximate ionization contribution in the total inelastic cross sections [4]. Detailed results and discussion along with the significance of these calculations will be presented during the COSPAR-2014. References [1] A.Bhardwaj, and G. R. Gladstone, Rev. Geophys., 38

  6. High intensity 5 eV atomic oxygen source and Low Earth Orbit (LEO) simulation facility

    NASA Technical Reports Server (NTRS)

    Cross, J. B.; Spangler, L. H.; Hoffbauer, M. A.; Archuleta, F. A.; Leger, Lubert; Visentine, James

    1987-01-01

    An atomic oxygen exposure facility has been developed for studies of material degradation. The goal of these studies is to provide design criteria and information for the manufacture of long life (20 to 30 years) construction materials for use in LEO. The studies that are being undertaken using the facility will provide: absolute reaction cross sections for use in engineering design problems; formulations of reaction mechanisms; and calibration of flight hardware (mass spectrometers, etc.) in order to directly relate experiments performed in LEO to ground based investigations. The facility consists of: (1) a CW laser sustained discharge source of O atoms having a variable energy up to 5 eV and an intensity between 10(15) and 10(17) O atoms s(-1) cm(-2); (2) an atomic beam formation and diagnostics system consisting of various stages of differential pumping, a mass spectrometer detector, and a time of flight analyzer; (3) a spinning rotor viscometer for absolute O atom flux measurements; and (4) provision for using the system for calibration of actual flight instruments. Surface analysis equipment is available for the characterization of material surfaces before and after exposure to O atoms.

  7. The Materials Chemistry of Atomic Oxygen with Applications to Anisotropic Etching of Submicron Structures in Microelectronics and the Surface Chemistry Engineering of Porous Solids

    NASA Technical Reports Server (NTRS)

    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.

  8. Synergistic oxygen atom transfer by ruthenium complexes with non-redox metal ions.

    PubMed

    Lv, Zhanao; Zheng, Wenrui; Chen, Zhuqi; Tang, Zhiming; Mo, Wanling; Yin, Guochuan

    2016-07-28

    Non-redox metal ions can affect the reactivity of active redox metal ions in versatile biological and heterogeneous oxidation processes; however, the intrinsic roles of these non-redox ions still remain elusive. This work demonstrates the first example of the use of non-redox metal ions as Lewis acids to sharply improve the catalytic oxygen atom transfer efficiency of a ruthenium complex bearing the classic 2,2'-bipyridine ligand. In the absence of Lewis acid, the oxidation of ruthenium(ii) complex by PhI(OAc)2 generates the Ru(iv)[double bond, length as m-dash]O species, which is very sluggish for olefin epoxidation. When Ru(bpy)2Cl2 was tested as a catalyst alone, only 21.2% of cyclooctene was converted, and the yield of 1,2-epoxycyclooctane was only 6.7%. As evidenced by electronic absorption spectra and EPR studies, both the oxidation of Ru(ii) by PhI(OAc)2 and the reduction of Ru(iv)[double bond, length as m-dash]O by olefin are kinetically slow. However, adding non-redox metal ions such as Al(iii) can sharply improve the oxygen transfer efficiency of the catalyst to 100% conversion with 89.9% yield of epoxide under identical conditions. Through various spectroscopic characterizations, an adduct of Ru(iv)[double bond, length as m-dash]O with Al(iii), Ru(iv)[double bond, length as m-dash]O/Al(iii), was proposed to serve as the active species for epoxidation, which in turn generated a Ru(iii)-O-Ru(iii) dimer as the reduced form. In particular, both the oxygen transfer from Ru(iv)[double bond, length as m-dash]O/Al(iii) to olefin and the oxidation of Ru(iii)-O-Ru(iii) back to the active Ru(iv)[double bond, length as m-dash]O/Al(iii) species in the catalytic cycle can be remarkably accelerated by adding a non-redox metal, such as Al(iii). These results have important implications for the role played by non-redox metal ions in catalytic oxidation at redox metal centers as well as for the understanding of the redox mechanism of ruthenium catalysts in the oxygen atom

  9. Where is the Most Likely Location Where the Secondary Interstellar Oxygen Atoms Are Created Around the Heliosheath?

    NASA Astrophysics Data System (ADS)

    Park, J.; Kucharek, H.; Szabo, A.; Paschalidis, N.; Grocer, A.; Jones, S.

    2017-12-01

    The secondary component of the interstellar neutral gas flow is originated from charge exchange between the undisturbed primary interstellar neutrals and the ions that have been deflected as they approach the heliopause. The secondary neutrals that are emitted from the interstellar ion flow through charge exchange carry information on the diverted flow and a fraction of them can travel to the Sun. Therefore, the secondary component of the interstellar neutrals is an excellent diagnostic tool to provide important information to constrain the shape of the heliopause. The presence of the secondary neutrals was predicted in the global heliospheric models and they are observed by Interstellar Boundary Explorer (IBEX) at Earth's orbit. Using the IBEX observations of neutral helium atoms, Kubiak et al. (2016, ApJS, 223, 25) approximated the parent distribution of the secondary interstellar He atoms (so-called Warm Breeze) with a homogeneous Maxwellian distribution function. Park et al. (2016, ApJ, 833, 130) analyzed IBEX observations of secondary interstellar helium and oxygen distributions at Earth's orbit. Lee et al. (2012, ApJS, 198, 10) constructed the heliospheric phase-space distribution function of an interstellar gas species in the Earth frame as a function of solar longitude. In this distribution, the authors assume that the distribution is a drifting Maxwellian at large distances from the Sun. In this study, we assume that a fraction of the secondary neutral atoms has a velocity vector toward the Sun and they can be described as a flow with a drifting Maxwellian distribution near the heliopause. Unlike the primary interstellar gas flow, the distribution of the secondary neutrals is expected to have a wide width and their bulk speeds are slower than the bulk speed of the primary interstellar gas flow. We compare Lee's distribution and IBEX observations of neutral oxygen atoms and then estimate the most likely direction where the secondary interstellar oxygen

  10. Atomic oxygen interaction with spacecraft materials: Relationship between orbital and ground-based testing for materials certification

    NASA Technical Reports Server (NTRS)

    Cross, Jon B.; Koontz, Steven L.; Lan, Esther H.

    1993-01-01

    The effects of atomic oxygen on boron nitride (BN), silicon nitride (Si3N4), Intelsat 6 solar cell interconnects, organic polymers, and MoS2 and WS2 dry lubricant, were studied in Low Earth Orbit (LEO) flight experiments and in a ground based simulation facility. Both the inflight and ground based experiments employed in situ electrical resistance measurements to detect penetration of atomic oxygen through materials and Electron Spectroscopy for Chemical Analysis (ESCA) analysis to measure chemical composition changes. Results are given. The ground based results on the materials studied to date show good qualitative correlation with the LEO flight results, thus validating the simulation fidelity of the ground based facility in terms of reproducing LEO flight results. In addition it was demonstrated that ground based simulation is capable of performing more detailed experiments than orbital exposures can presently perform. This allows the development of a fundamental understanding of the mechanisms involved in the LEO environment degradation of materials.

  11. Formation of C-C and C-O bonds and oxygen removal in reactions of alkanediols, alkanols, and alkanals on copper catalysts.

    PubMed

    Sad, María E; Neurock, Matthew; Iglesia, Enrique

    2011-12-21

    This study reports evidence for catalytic deoxygenation of alkanols, alkanals, and alkanediols on dispersed Cu clusters with minimal use of external H(2) and with the concurrent formation of new C-C and C-O bonds. These catalysts selectively remove O-atoms from these oxygenates as CO or CO(2) through decarbonylation or decarboxylation routes, respectively, that use C-atoms present within reactants or as H(2)O using H(2) added or formed in situ from CO/H(2)O mixtures via water-gas shift. Cu catalysts fully convert 1,3-propanediol to equilibrated propanol-propanal intermediates that subsequently form larger oxygenates via aldol-type condensation and esterification routes without detectable involvement of the oxide supports. Propanal-propanol-H(2) equilibration is mediated by their chemisorption and interconversion at surfaces via C-H and O-H activation and propoxide intermediates. The kinetic effects of H(2), propanal, and propanol pressures on turnover rates, taken together with measured selectivities and the established chemical events for base-catalyzed condensation and esterification reactions, indicate that both reactions involve kinetically relevant bimolecular steps in which propoxide species, acting as the base, abstract the α-hydrogen in adsorbed propanal (condensation) or attack the electrophilic C-atom at its carbonyl group (esterification). These weakly held basic alkoxides render Cu surfaces able to mediate C-C and C-O formation reactions typically catalyzed by basic sites inherent in the catalyst, instead of provided by coadsorbed organic moieties. Turnover rates for condensation and esterification reactions decrease with increasing Cu dispersion, because low-coordination corner and edge atoms prevalent on small clusters stabilize adsorbed intermediates and increase the activation barriers for the bimolecular kinetically relevant steps required for both reactions. © 2011 American Chemical Society

  12. Ultrafast atomic layer-by-layer oxygen vacancy-exchange diffusion in double-perovskite LnBaCo2O5.5+δ thin films.

    PubMed

    Bao, Shanyong; Ma, Chunrui; Chen, Garry; Xu, Xing; Enriquez, Erik; Chen, Chonglin; Zhang, Yamei; Bettis, Jerry L; Whangbo, Myung-Hwan; Dong, Chuang; Zhang, Qingyu

    2014-04-22

    Surface exchange and oxygen vacancy diffusion dynamics were studied in double-perovskites LnBaCo2O5.5+δ (LnBCO) single-crystalline thin films (Ln = Er, Pr; -0.5 < δ < 0.5) by carefully monitoring the resistance changes under a switching flow of oxidizing gas (O2) and reducing gas (H2) in the temperature range of 250 ~ 800 °C. A giant resistance change ΔR by three to four orders of magnitude in less than 0.1 s was found with a fast oscillation behavior in the resistance change rates in the ΔR vs. t plots, suggesting that the oxygen vacancy exchange diffusion with oxygen/hydrogen atoms in the LnBCO thin films is taking the layer by layer oxygen-vacancy-exchange mechanism. The first principles density functional theory calculations indicate that hydrogen atoms are present in LnBCO as bound to oxygen forming O-H bonds. This unprecedented oscillation phenomenon provides the first direct experimental evidence of the layer by layer oxygen vacancy exchange diffusion mechanism.

  13. Inflight resistance measurement on high-T(sub c) superconducting thin films exposed to orbital atomic oxygen on CONCAP-2 (STS-46)

    NASA Technical Reports Server (NTRS)

    Gregory, J. C.; Raiker, G. N.; Bijvoet, J. A.; Nerren, P. D.; Sutherland, W. T.; Mogro-Camperso, A.; Turner, L. G.; Kwok, Hoi; Raistrick, I. D.; Cross, J. B.

    1995-01-01

    In 1992, UAH (University of Alabama in Huntsville) conducted a unique experiment on STS-46 in which YBa2Cu3O7 (commonly known as '1-2-3' superconductor) high-T(c) superconducting thin film samples prepared at three different laboratories were exposed to 5 eV atomic oxygen in low Earth orbit on the ambient and 320 C hot plate during the first flight of the CONCAP-2 (Complex Autonomous Payload) experiment carrier. The resistance of the thin films was measured in flight during the atomic oxygen exposure and heating cycle. Superconducting properties were measured in the laboratory before and after the flight by the individual experimenters. Films with good superconducting properties, and which were exposed to the oxygen flux, survived the flight including those heated to 320 C (600 K) with properties essentially unchanged, while other samples which were heated but not exposed to oxygen were degraded. The properties of other flight controls held at ambient temperature appear unchanged and indistinguishable from those of ground controls, whether exposed to oxygen or not.

  14. Atomic Oxygen Treatment as a Method of Recovering Smoke Damaged Paintings. Revised

    NASA Technical Reports Server (NTRS)

    Rutledge, Sharon K.; Banks, Bruce A.; Forkapa, Mark; Stueber, Thomas; Sechkar, Edward; Malinowski, Kevin

    1999-01-01

    A noncontact technique is described that uses atomic oxygen, generated under low pressure in the presence of nitrogen, to remove soot and charred varnish from the surface of a painting. The process, which involves surface oxidation, permits control of the amount of surface material removed. The effectiveness of the process was evaluated by reflectance measurements from selected areas made during the removal of soot from acrylic gesso, ink on paper, and varnished oil paint substrates. For the latter substrate, treatment also involved the removal of damaged varnish and paint binder from the surface.

  15. Atomistics of Ge deposition on Si(100) by atomic layer epitaxy.

    PubMed

    Lin, D S; Wu, J L; Pan, S Y; Chiang, T C

    2003-01-31

    Chlorine termination of mixed Ge/Si(100) surfaces substantially enhances the contrast between Ge and Si sites in scanning tunneling microscopy observations. This finding enables a detailed investigation of the spatial distribution of Ge atoms deposited on Si(100) by atomic layer epitaxy. The results are corroborated by photoemission measurements aided by an unusually large chemical shift between Cl adsorbed on Si and Ge. Adsorbate-substrate atomic exchange during growth is shown to be important. The resulting interface is thus graded, but characterized by a very short length scale of about one monolayer.

  16. Adsorption, vibration and diffusion of oxygen on Ag(110)

    NASA Astrophysics Data System (ADS)

    Rawal, Takat; Hong, Sampyo; Pulkkinen, Aki; Alatalo, Matti; Rahman, Talat

    2015-03-01

    We have performed density functional theory calculations for the adsorption, vibration and diffusion of oxygen on Ag(110). At low coverage, O2 adsorbs at the four-fold hollow (FFH) with the molecular axis aligned along the [ 1 1 0 ] direction. The dissociation of O2 is easier along the [001] direction than along the [ 1 1 0 ] direction. For O2 species in FFH aligned along the [001] the O-O intra-molecular stretching mode is coupled with the substrate vibration and thus its dissociation can be induced by surface phonon. In addition, O diffusion barrier from FFH to next FFH along the [ 1 1 0 ] is small (0.07 eV only) but is by far larger (0.4 eV) along [001]. On the other hand, O species in the short-bride (SB) site prefers to diffuse along the [001] (to FFH) rather than along the [ 1 1 0 ] direction (to next SB). Finally, the preference of atomic oxygen to form O-Ag-O complex on Ag(110) is responsible for disordering of the surface by means of substantial lateral and vertical displacements of Ag atoms in the topmost layer. In fact, such disordering phase of Ag(110) may act as a precursor of the reconstructed phase of Ag(110). Work supported in part by NSF under Grant CHE-1310327.

  17. ESCA study of several fluorocarbon polymers exposed to atomic oxygen in low earth orbit or within or downstream from a radio-frequency oxygen plasma

    NASA Technical Reports Server (NTRS)

    Golub, Morton A.; Wydeven, Theodore; Cormia, Robert D.

    1989-01-01

    The ESCA (electron spectroscopy for chemical analysis) spectra of films of Tedlar, tetrafluoroethylene-hexafluoropropylene copolymer (in the form of a Teflon FEP coating on Kapton H, i.e., Kapton F), and polytetrafluoroethylene (Teflon or Teflon TFE), exposed to atomic oxygen O(3P) either in LEO on the STS-8 Space Shuttle or within or downstream from a radio-frequency oxygen plasma, were compared. The major difference in surface chemistry of Tedlar induced by the various exposures to O(3P) was a much larger uptake of oxygen when etched either in or out of the glow of an O2 plasma than when etched in LEO. In contrast, Kapton F exhibited very little surface oxidation during any of the three different exposures to O(3P), while Teflon was scarcely oxidized.

  18. HIGH PRECISION K-SHELL PHOTOABSORPTION CROSS SECTIONS FOR ATOMIC OXYGEN: EXPERIMENT AND THEORY

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    McLaughlin, B. M.; Ballance, C. P.; Bowen, K. P.

    2013-07-01

    Photoabsorption of atomic oxygen in the energy region below the 1s {sup -1} threshold in X-ray spectroscopy from Chandra and XMM-Newton is observed in a variety of X-ray binary spectra. Photoabsorption cross sections determined from an R-matrix method with pseudo-states and new, high precision measurements from the Advanced Light Source (ALS) are presented. High-resolution spectroscopy with E/{Delta}E Almost-Equal-To 4250 {+-} 400 was obtained for photon energies from 520 eV to 555 eV at an energy resolution of 124 {+-} 12 meV FWHM. K-shell photoabsorption cross section measurements were made with a re-analysis of previous experimental data on atomic oxygen atmore » the ALS. Natural line widths {Gamma} are extracted for the 1s {sup -1}2s {sup 2}2p {sup 4}({sup 4} P)np {sup 3} P Degree-Sign and 1s {sup -1}2s {sup 2}2p {sup 4}({sup 2} P)np {sup 3} P Degree-Sign Rydberg resonances series and compared with theoretical predictions. Accurate cross sections and line widths are obtained for applications in X-ray astronomy. Excellent agreement between theory and the ALS measurements is shown which will have profound implications for the modeling of X-ray spectra and spectral diagnostics.« less

  19. Atomic and polyatomic molecules at metal surfaces studied by synchrotron far-IR RAIRS

    NASA Astrophysics Data System (ADS)

    Raval, Rasmita; Roberts, Adam J.; Williams, Jamie; Nunney, Timothy S.; Surman, Mark

    1997-10-01

    Far-IR Reflection Absorption Infrared Spectroscopy (RAIRS) has been used to probe submonolayers of adsorbates created under clean controlled conditions on small area single crystal surfaces, using the newly commissioned Daresbury 13.3 Far-IR synchrotron beamline. Adsorbed formate species on Cu(110) were studied as an example of an adsorbate for which a large structural data-base already exists in the literature from other surface science techniques. Our high resolution Far-IR data has allowed two distinct vCu-O vibrations to be monitored for 0.25 monolayer of formate adsorbed on Cu(110) at 300 K. We rule out a lower symmetry formate complex giving rise to these vibrations and, instead, attribute the two bands to at least two chemically distinct species at the surface, a possibility that has hitherto not been included in the analyses of this system using other techniques. In addition, we also report the first RAIRS spectrum of the vCu-O stretching vibration for adsorbed atomic O on the Cu(110) surface at 300 K. The dissociative adsorption of oxygen, at room temperature, on this surface is known to induce a massive reconstruction of the surface in which `added' rows of Cu-O-Cu strings form on the surface in the [001] direction to give rise to the (1 X 2) missing row structure. The vCu-O vibration frequency is found to be invariant as a function of coverage, suggesting that the chemical nature of the Cu-O-Cu entity remains essentially unaltered during the growth of the reconstructed phase.

  20. Microbial hydroxylation of quinoline in contaminated groundwater: evidence for incorporation of the oxygen atom of water.

    USGS Publications Warehouse

    Pereira, W.E.; Rostad, C.E.; Leiker, T.J.; Updegraff, D.M.; Bennett, J.L.

    1988-01-01

    Studies conducted in an aquifer contaminated by creosote suggest that quinoline is converted to 2(1H)quinolinone by an indigenous consortium of microorganisms. Laboratory microbial experiments using H218O indicate that water is the source of the oxygen atom for this hydroxylation reaction under aerobic and anaerobic conditions.

  1. XPS study of the effect of hydrocarbon contamination on polytetrafluoroethylene (teflon) exposed to atomic oxygen

    NASA Technical Reports Server (NTRS)

    Golub, Morton A.; Wydeven, Theodore; Cormia, Robert D.

    1991-01-01

    The presence of hydrocarbon contamination on the surface of polytetrafluoroethylene (PTFE) markedly affects the oxygen uptake, and hence the wettability, of this polymer when exposed to an oxygen plasma. As revealed by X-ray photoelectron spectroscopy (XPS) analysis, the oxygen-to-carbon ratio (O/C) for such a polymer can increase sharply, and correspondingly the fluorine-to-carbon ratio (F/C) can decrease sharply, at very short exposure times; at longer times, however, such changes in the O/C and F/C ratios reverse direction, and these ratios then assume values similar to those of the unexposed PTFE. The greater the extent of hydrocarbon contamination in the PTFE, the larger are the amplitudes of the 'spikes' in the O/C- and F/C-exposure time plots. In contrast, a pristine PTFE experiences a very small, monotonic increase of surface oxidation or O/C ratio with time of exposure to oxygen atoms, while the F/C ratio is virtually unchanged from that of the unexposed polymer (2.0). Unless the presence of adventitious hydrocarbon is taken into account, anomalous surface properties relating to polymer adhesion may be improperly ascribed to PTFE exposed to an oxygen plasma.

  2. Surface Proton Transfer Promotes Four-Electron Oxygen Reduction on Gold Nanocrystal Surfaces in Alkaline Solution

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lu, Fang; Zhang, Yu; Liu, Shizhong

    Four-electron oxygen reduction reaction (4e-ORR), as a key pathway in energy conversion, is preferred over the two-electron reduction pathway that falls short in dissociating dioxygen molecules. Gold (Au) surfaces exhibit high sensitivity of the ORR pathway to its atomic structures. The long-standing puzzle remains unsolved why the Au surfaces with {100} sub-facets were exceptionally capable to catalyze the 4e-ORR in alkaline solution, though limited within a narrow potential window. Herein we report the discovery of a dominant 4e-ORR over the whole potential range on {310} surface of Au nanocrystal shaped as truncated ditetragonal prism (TDP). In contrast, ORR pathways onmore » single-crystalline facets of shaped nanoparticles, including {111} on nano-octahedra and {100} on nano-cubes, are similar to their single-crystal counterparts. Combining our experimental results with density functional theory calculations, we elucidate the key role of surface proton transfers from co-adsorbed H 2O molecules in activating the facet- and potential-dependent 4e ORR on Au in alkaline solutions. These results elucidate how surface atomic structures determine the reaction pathways via bond scission and formation among weakly adsorbed water and reaction intermediates. The new insight helps in developing facet-specific nanocatalysts for various reactions.« less

  3. Surface Proton Transfer Promotes Four-Electron Oxygen Reduction on Gold Nanocrystal Surfaces in Alkaline Solution

    DOE PAGES

    Lu, Fang; Zhang, Yu; Liu, Shizhong; ...

    2017-05-11

    Four-electron oxygen reduction reaction (4e-ORR), as a key pathway in energy conversion, is preferred over the two-electron reduction pathway that falls short in dissociating dioxygen molecules. Gold (Au) surfaces exhibit high sensitivity of the ORR pathway to its atomic structures. The long-standing puzzle remains unsolved why the Au surfaces with {100} sub-facets were exceptionally capable to catalyze the 4e-ORR in alkaline solution, though limited within a narrow potential window. Herein we report the discovery of a dominant 4e-ORR over the whole potential range on {310} surface of Au nanocrystal shaped as truncated ditetragonal prism (TDP). In contrast, ORR pathways onmore » single-crystalline facets of shaped nanoparticles, including {111} on nano-octahedra and {100} on nano-cubes, are similar to their single-crystal counterparts. Combining our experimental results with density functional theory calculations, we elucidate the key role of surface proton transfers from co-adsorbed H 2O molecules in activating the facet- and potential-dependent 4e ORR on Au in alkaline solutions. These results elucidate how surface atomic structures determine the reaction pathways via bond scission and formation among weakly adsorbed water and reaction intermediates. The new insight helps in developing facet-specific nanocatalysts for various reactions.« less

  4. Atomic-resolution imaging of electrically induced oxygen vacancy migration and phase transformation in SrCoO 2.5-σ

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zhang, Qinghua; He, Xu; Shi, Jinan

    Oxygen ion transport is the key issue in redox processes. Visualizing the process of oxygen ion migration with atomic resolution is highly desirable for designing novel devices such as oxidation catalysts, oxygen permeation membranes, and solid oxide fuel cells. We show the process of electrically induced oxygen migration and subsequent reconstructive structural transformation in a SrCoO 2.5-σ film by scanning transmission electron microscopy. We find that the extraction of oxygen from every second SrO layer occurs gradually under an electrical bias; beyond a critical voltage, the brownmillerite units collapse abruptly and evolve into a periodic nano-twined phase with a highmore » c/a ratio and distorted tetrahedra. These results show that oxygen vacancy rows are not only natural oxygen diffusion channels, but also preferred sites for the induced oxygen vacancies. These direct experimental results of oxygen migration may provide a common mechanism for the electrically induced structural evolution of oxides.« less

  5. Atomic-resolution imaging of electrically induced oxygen vacancy migration and phase transformation in SrCoO 2.5-σ

    DOE PAGES

    Zhang, Qinghua; He, Xu; Shi, Jinan; ...

    2017-07-24

    Oxygen ion transport is the key issue in redox processes. Visualizing the process of oxygen ion migration with atomic resolution is highly desirable for designing novel devices such as oxidation catalysts, oxygen permeation membranes, and solid oxide fuel cells. We show the process of electrically induced oxygen migration and subsequent reconstructive structural transformation in a SrCoO 2.5-σ film by scanning transmission electron microscopy. We find that the extraction of oxygen from every second SrO layer occurs gradually under an electrical bias; beyond a critical voltage, the brownmillerite units collapse abruptly and evolve into a periodic nano-twined phase with a highmore » c/a ratio and distorted tetrahedra. These results show that oxygen vacancy rows are not only natural oxygen diffusion channels, but also preferred sites for the induced oxygen vacancies. These direct experimental results of oxygen migration may provide a common mechanism for the electrically induced structural evolution of oxides.« less

  6. Modeling adsorption: Investigating adsorbate and adsorbent properties

    NASA Astrophysics Data System (ADS)

    Webster, Charles Edwin

    1999-12-01

    Surface catalyzed reactions play a major role in current chemical production technology. Currently, 90% of all chemicals are produced by heterogeneously catalyzed reactions. Most of these catalyzed reactions involve adsorption, concentrating the substrate(s) (the adsorbate) on the surface of the solid (the adsorbent). Pore volumes, accessible surface areas, and the thermodynamics of adsorption are essential in the understanding of solid surface characteristics fundamental to catalyst and adsorbent screening and selection. Molecular properties such as molecular volumes and projected molecular areas are needed in order to convert moles adsorbed to surface volumes and areas. Generally, these molecular properties have been estimated from bulk properties, but many assumptions are required. As a result, different literature values are employed for these essential molecular properties. Calculated molar volumes and excluded molecular areas are determined and tabulated for a variety of molecules. Molecular dimensions of molecules are important in the understanding of molecular exclusion as well as size and shape selectivity, diffusion, and adsorbent selection. Molecular dimensions can also be used in the determination of the effective catalytic pore size of a catalyst. Adsorption isotherms, on zeolites, (crystalline mineral oxides) and amorphous solids, can be analyzed with the Multiple Equilibrium Analysis (MEA) description of adsorption. The MEA produces equilibrium constants (Ki), capacities (ni), and thermodynamic parameters (enthalpies, ΔHi, and entropies, ΔSi) of adsorption for each process. Pore volumes and accessible surface areas are calculated from the process capacities. Adsorption isotherms can also be predicted for existing and new adsorbate-adsorbent systems with the MEA. The results show that MEA has the potential of becoming a standard characterization method for microporous solids that will lead to an increased understanding of their behavior in gas

  7. COMPARISON OF FEMTOSECOND AND NANOSECOND TWO PHOTON ABSORPTION LASER INDUCED FLUORESCENCE (TALIF) OF ATOMIC OXYGEN IN ATMOSPHERIC PRESSURE PLASMAS

    DTIC Science & Technology

    2016-08-01

    OXYGEN IN ATMOSPHERIC PRESSURE PLASMAS James D. Scofield (AFRL/RQQE) and James R. Gord (AFRL/RQTC) Electrical Systems Branch, Power and Control...Division (AFRL/RQQE) Combustion Branch, Turbine Engine Division (AFRL/RQTC) Jacob B. Schmidt and Sukesh Roy Spectral Energies LLC Brian Sands...LASER-INDUCED FLUORESCENCE (TALIF) OF ATOMIC OXYGEN IN ATMOSPHERIC PRESSURE PLASMAS 5a. CONTRACT NUMBER In-house 5b. GRANT NUMBER 5c. PROGRAM

  8. Reduction of surface leakage current by surface passivation of CdZn Te and other materials using hyperthermal oxygen atoms

    DOEpatents

    Hoffbauer, Mark A.; Prettyman, Thomas H.

    2001-01-01

    Reduction of surface leakage current by surface passivation of Cd.sub.1-x Zn.sub.x Te and other materials using hyperthermal oxygen atoms. Surface effects are important in the performance of CdZnTe room-temperature radiation detectors used as spectrometers since the dark current is often dominated by surface leakage. A process using high-kinetic-energy, neutral oxygen atoms (.about.3 eV) to treat the surface of CdZnTe detectors at or near ambient temperatures is described. Improvements in detector performance include significantly reduced leakage current which results in lower detector noise and greater energy resolution for radiation measurements of gamma- and X-rays, thereby increasing the accuracy and sensitivity of measurements of radionuclides having complex gamma-ray spectra, including special nuclear materials.

  9. Thermal relaxation of molecular oxygen in collisions with nitrogen atoms

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Andrienko, Daniil A., E-mail: daniila@umich.edu; Boyd, Iain D.

    2016-07-07

    Investigation of O{sub 2}–N collisions is performed by means of the quasi-classical trajectory method on the two lowest ab initio potential energy surfaces at temperatures relevant to hypersonic flows. A complete set of bound–bound and bound–free transition rates is obtained for each precollisional rovibrational state. Special attention is paid to the vibrational and rotational relaxations of oxygen as a result of chemically non-reactive interaction with nitrogen atoms. The vibrational relaxation of oxygen partially occurs via the formation of an intermediate NO{sub 2} complex. The efficient energy randomization results in rapid vibrational relaxation at low temperatures, compared to other molecular systemsmore » with a purely repulsive potential. The vibrational relaxation time, computed by means of master equation studies, is nearly an order of magnitude lower than the relaxation time in N{sub 2}–O collisions. The rotational nonequilibrium starts to play a significant effect at translational temperatures above 8000 K. The present work provides convenient relations for the vibrational and rotational relaxation times as well as for the quasi-steady dissociation rate coefficient and thus fills a gap in data due to a lack of experimental measurements for this system.« less

  10. Oxygen discharge and post-discharge kinetics experiments and modeling for the electric oxygen-iodine laser system.

    PubMed

    Palla, A D; Zimmerman, J W; Woodard, B S; Carroll, D L; Verdeyen, J T; Lim, T C; Solomon, W C

    2007-07-26

    Laser oscillation at 1315 nm on the I(2P1/2)-->I(2P3/2) transition of atomic iodine has been obtained by a near resonant energy transfer from O2(a1Delta) produced using a low-pressure oxygen/helium/nitric oxide discharge. In the electric discharge oxygen-iodine laser (ElectricOIL) the discharge production of atomic oxygen, ozone, and other excited species adds levels of complexity to the singlet oxygen generator (SOG) kinetics which are not encountered in a classic purely chemical O2(a1Delta) generation system. The advanced model BLAZE-IV has been introduced to study the energy-transfer laser system dynamics and kinetics. Levels of singlet oxygen, oxygen atoms, and ozone are measured experimentally and compared with calculations. The new BLAZE-IV model is in reasonable agreement with O3, O atom, and gas temperature measurements but is under-predicting the increase in O2(a1Delta) concentration resulting from the presence of NO in the discharge and under-predicting the O2(b1Sigma) concentrations. A key conclusion is that the removal of oxygen atoms by NOX species leads to a significant increase in O2(a1Delta) concentrations downstream of the discharge in part via a recycling process; however, there are still some important processes related to the NOX discharge kinetics that are missing from the present modeling. Further, the removal of oxygen atoms dramatically inhibits the production of ozone in the downstream kinetics.

  11. Low-Energy Elastic Electron Scattering by Atomic Oxygen

    NASA Technical Reports Server (NTRS)

    Zatsarinny O.; Bartschat, K.; Tayal, S. S.

    2006-01-01

    The B-spline R-matrix method is employed to investigate the low-energy elastic electron scattering by atomic oxygen. Flexible non-orthogonal sets of radial functions are used to construct the target description and to represent the scattering functions. A detailed investigation regarding the dependence of the predicted partial and total cross sections on the scattering model and the accuracy of the target description is presented. The predicted angle-integrated elastic cross sections are in good agreement with experiment, whereas significant discrepancies are found in the angle-differential elastic cross sections near the forward direction. .The near-threshold results are found to strongly depend on the treatment of inner-core short-range correlation effects in the target description, as well as on a proper account of the target polarizability. A sharp increase in the elastic cross sections below 1 eV found in some earlier calculations is judged to be an artifact of an unbalanced description of correlation in the N-electron target structure and the (N+l)-electron-collision problems.

  12. Manganese-Oxygen Intermediates in O-O Bond Activation and Hydrogen-Atom Transfer Reactions.

    PubMed

    Rice, Derek B; Massie, Allyssa A; Jackson, Timothy A

    2017-11-21

    Biological systems capitalize on the redox versatility of manganese to perform reactions involving dioxygen and its derivatives superoxide, hydrogen peroxide, and water. The reactions of manganese enzymes influence both human health and the global energy cycle. Important examples include the detoxification of reactive oxygen species by manganese superoxide dismutase, biosynthesis by manganese ribonucleotide reductase and manganese lipoxygenase, and water splitting by the oxygen-evolving complex of photosystem II. Although these enzymes perform very different reactions and employ structurally distinct active sites, manganese intermediates with peroxo, hydroxo, and oxo ligation are commonly proposed in catalytic mechanisms. These intermediates are also postulated in mechanisms of synthetic manganese oxidation catalysts, which are of interest due to the earth abundance of manganese. In this Account, we describe our recent efforts toward understanding O-O bond activation pathways of Mn III -peroxo adducts and hydrogen-atom transfer reactivity of Mn IV -oxo and Mn III -hydroxo complexes. In biological and synthetic catalysts, peroxomanganese intermediates are commonly proposed to decay by either Mn-O or O-O cleavage pathways, although it is often unclear how the local coordination environment influences the decay mechanism. To address this matter, we generated a variety of Mn III -peroxo adducts with varied ligand environments. Using parallel-mode EPR and Mn K-edge X-ray absorption techniques, the decay pathway of one Mn III -peroxo complex bearing a bulky macrocylic ligand was investigated. Unlike many Mn III -peroxo model complexes that decay to oxo-bridged-Mn III Mn IV dimers, decay of this Mn III -peroxo adduct yielded mononuclear Mn III -hydroxo and Mn IV -oxo products, potentially resulting from O-O bond activation of the Mn III -peroxo unit. These results highlight the role of ligand sterics in promoting the formation of mononuclear products and mark an important

  13. Force-field parameters of the Psi and Phi around glycosidic bonds to oxygen and sulfur atoms.

    PubMed

    Saito, Minoru; Okazaki, Isao

    2009-12-01

    The Psi and Phi torsion angles around glycosidic bonds in a glycoside chain are the most important determinants of the conformation of a glycoside chain. We determined force-field parameters for Psi and Phi torsion angles around a glycosidic bond bridged by a sulfur atom, as well as a bond bridged by an oxygen atom as a preparation for the next study, i.e., molecular dynamics free energy calculations for protein-sugar and protein-inhibitor complexes. First, we extracted the Psi or Phi torsion energy component from a quantum mechanics (QM) total energy by subtracting all the molecular mechanics (MM) force-field components except for the Psi or Phi torsion angle. The Psi and Phi energy components extracted (hereafter called "the remaining energy components") were calculated for simple sugar models and plotted as functions of the Psi and Phi angles. The remaining energy component curves of Psi and Phi were well represented by the torsion force-field functions consisting of four and three cosine functions, respectively. To confirm the reliability of the force-field parameters and to confirm its compatibility with other force-fields, we calculated adiabatic potential curves as functions of Psi and Phi for the model glycosides by adopting the Psi and Phi force-field parameters obtained and by energetically optimizing other degrees of freedom. The MM potential energy curves obtained for Psi and Phi well represented the QM adiabatic curves and also these curves' differences with regard to the glycosidic oxygen and sulfur atoms. Our Psi and Phi force-fields of glycosidic oxygen gave MM potential energy curves that more closely represented the respective QM curves than did those of the recently developed GLYCAM force-field. (c) 2009 Wiley Periodicals, Inc.

  14. Use of an Atmospheric Atomic Oxygen Beam for Restoration of Defaced Paintings

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.; Rutledge, Sharon K.; Karla, Margaret; Norris, Mary Jo; Real, William A.; Haytas, Christy A.

    1999-01-01

    An atmospheric atomic oxygen beam has been found to be effective in removing organic materials through oxidation that are typical of graffiti or other contaminant defacements which may occur to the surfaces of paintings. The technique, developed by the National Aeronautics and Space Administration, is portable and was successfully used at the Carnegie Museum of Art to remove a lipstick smudge from the surface of porous paint on the Andy Warhol painting "Bathtub." This process was also evaluated for suitability to remove felt tip and ball point ink graffiti from paper, gesso on canvas and cotton canvas.

  15. Manipulation of perpendicular magnetic anisotropy of single Fe atom adsorbed graphene via MgO(1 1 1) substrate

    NASA Astrophysics Data System (ADS)

    Fu, Mingming; Tang, Weiqing; Wu, Yaping; Ke, Congming; Guo, Fei; Zhang, Chunmiao; Yang, Weihuang; Wu, Zhiming; Kang, Junyong

    2018-05-01

    Perpendicular magnetic anisotropy is significantly important for realizing a long-term retention of information for spintronics devices. Inspired by 2D graphene with its high charge carrier mobility and long spin diffusion length, we report a first-principles design framework on perpendicular magnetic anisotropy engineering of a Fe atom adsorbed graphene by employing a O-terminated MgO (1 1 1) substrate. Determined by the adsorption sites of the Fe atom, a tunable magnetic anisotropy is realized in Fe/graphene/MgO (1 1 1) structure, with the magnetic anisotropy energy of  ‑0.48 meV and 0.23 meV, respectively, corresponding to the in-plane and out of plane easy magnetizations. Total density of states suggest a half-metallicity with a 100% spin polarization in the system. Decomposed densities of Fe-3d states reveal the orbital contributions to the magnetic anisotropy for different Fe adsorption sites. Bonding interaction and charge redistribution regulated by MgO substrate are found responsible for the novel perpendicular magnetic anisotropy engineering in the system. The effective manipulation of perpendicular magnetic anisotropy in present work offers some references for the design and construction of 2D spintronics devices.

  16. The distribution of atomic hydrogen and oxygen in the magnetosphere of Saturn

    NASA Astrophysics Data System (ADS)

    Melin, Henrik; Shemansky, Don E.; Liu, Xianming

    2009-12-01

    The intensity of H Ly α1216A˚ ( 2P- 1S) and OI 1304A˚ ( 2p33s3S-2p4P) is mapped in the magnetosphere of Saturn using the ultraviolet imaging spectrograph (UVIS) [Esposito, L.W., Barth, C.A., Colwell, J.E., Lawrence, G.M., McClintock, W.E., Stewart, A.I.F., Keller, H.U., Korth, A., Lauche, H., Festou, M.C., Lane, A.L., Hansen, C.J., Maki, J.N., West, R.A., Jahn, H., Reulke, R., Warlich, K., Shemansky, D.E., Yung, Y.L., 2004. The Cassini ultraviolet imaging spectrograph investigation. Space Science Reviews 115, 299-361] onboard Cassini. Spatial coverage is built up by stepping the slit sequentially across the system (system scan). Data are obtained at a large range of space-craft-Saturn distances. The observed atomic hydrogen distribution is very broad, extending beyond 40RS in the equatorial plane, with the intensity increasing with decreasing distances to Saturn. The distribution displays persistent local-time asymmetries, and is seen connecting continuously to the upper atmosphere of the planet at sub-solar latitudes located well outside of the equatorial (ring) plane. This is consistent with the source of the atomic hydrogen being located at the top of the atmosphere on the sun-lit side of the planet on the southern hemisphere. In addition there are a number of temporally persistent features in the intensity distribution, indicating a complex hydrogen energy distribution. The emission from OI 1304A˚ is generally distributed as a broad torus centered around ˜4RS although the position of the peak intensity can vary by as much as ±1RS. There is significant intensity present out to ±10RS. HST observations of hydroxyl (OH) are re-analyzed and display a distribution half as broad as that of oxygen, also centered at 4RS. The observed atomic oxygen distribution requires a sourcing of 1.3×1028atomss-1 against loss due to charge capture with the plasma. Using the ion partitioning of Schippers et al. [2008. Multi-instrument analysis of electron populations in Saturn

  17. Boron and oxygen-codoped porous carbon as efficient oxygen reduction catalysts

    NASA Astrophysics Data System (ADS)

    Lei, Zhidan; Chen, Hongbiao; Yang, Mei; Yang, Duanguang; Li, Huaming

    2017-12-01

    A low-cost boron- and oxygen-codoped porous carbon electrocatalyst towards oxygen reduction reaction (ORR) has been fabricated by a facile one-step pyrolysis approach, while a boron- and oxygen-rich polymer network was used as precursor. The boron- and oxygen-codoped carbon catalyst with high ORR electrocatalytic activity is comparable to that of Pt/C and is superior to that of catalysts doped solely with boron atoms or with oxygen atoms. Furthermore, the optimized boron- and oxygen-codoped carbon catalyst possesses excellent methanol tolerance and long-term durability in alkaline media. The high electrocatalytic activity of the dual-doped carbon catalysts can be attributed to the synergistic effects of high surface area, predominant mesostructure, abundant active oxygen-containing groups, and effective boron doping. The present results show that this boron- and oxygen-codoping strategy could be as a promising way for the preparation of highly efficient ORR catalysts.

  18. Conformation-dependent chemical reaction of formic acid with an oxygen atom.

    PubMed

    Khriachtchev, Leonid; Domanskaya, Alexandra; Marushkevich, Kseniya; Räsänen, Markku; Grigorenko, Bella; Ermilov, Alexander; Andrijchenko, Natalya; Nemukhin, Alexander

    2009-07-23

    Conformation dictates many physical and chemical properties of molecules. The importance of conformation in the selectivity and function of biologically active molecules is widely accepted. However, clear examples of conformation-dependent bimolecular chemical reactions are lacking. Here we consider a case of formic acid (HCOOH) that is a valuable model system containing the -COOH carboxyl functional group, similar to many biomolecules including the standard amino acids. We have found a strong case of conformation-dependent reaction between formic acid and atomic oxygen obtained in cryogenic matrices. The reaction surprisingly leads to peroxyformic acid only from the ground-state trans conformer of formic acid, and it results in the hydrogen-bonded complex for the higher-energy cis conformer.

  19. Deviation from Normal Boltzmann Distribution of High-lying Energy Levels of Iron Atom Excited by Okamoto-cavity Microwave-induced Plasmas Using Pure Nitrogen and Nitrogen-Oxygen Gases.

    PubMed

    Wagatsuma, Kazuaki

    2015-01-01

    This paper describes several interesting excitation phenomena occurring in a microwave-induced plasma (MIP) excited with Okamoto-cavity, especially when a small amount of oxygen was mixed with nitrogen matrix in the composition of the plasma gas. An ion-to-atom ratio of iron, which was estimated from the intensity ratio of ion to atomic lines having almost the same excitation energy, was reduced by adding oxygen gas to the nitrogen MIP, eventually contributing to an enhancement in the emission intensities of the atomic lines. Furthermore, Boltzmann plots for iron atomic lines were observed in a wide range of the excitation energy from 3.4 to 6.9 eV, indicating that plots of the atomic lines having lower excitation energies (3.4 to 4.8 eV) were well fitted on a straight line while those having more than 5.5 eV deviated upwards from the linear relationship. This overpopulation would result from any other excitation process in addition to the thermal excitation that principally determines the Boltzmann distribution. A Penning-type collision with excited species of nitrogen molecules probably explains this additional excitation mechanism, in which the resulting iron ions recombine with captured electrons, followed by cascade de-excitations between closely-spaced excited levels just below the ionization limit. As a result, these high-lying levels might be more populated than the low-lying levels of iron atom. The ionization of iron would be caused less actively in the nitrogen-oxygen plasma than in a pure nitrogen plasma, because excited species of nitrogen molecule, which can provide the ionization energy in a collision with iron atom, are consumed through collisions with oxygen molecules to cause their dissociation. It was also observed that the overpopulation occurred to a lesser extent when oxygen gas was added to the nitrogen plasma. The reason for this was also attributed to decreased number density of the excited nitrogen species due to collisions with oxygen

  20. Uptake of Uranium from Seawater by Amidoxime-Based Polymeric Adsorbent: Field Experiments, Modeling, and Updated Economic Assessment

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kim, Jungseung; Tsouris, Constantinos; Oyola, Yatsandra

    2014-04-09

    Uranium recovery from seawater has been investigated for several decades for the purpose of securing nuclear fuel for energy production. In this study, field column experiments have been performed at the Marine Sciences Laboratory of the Pacific Northwest National Laboratory (PNNL) using a laboratory-proven, amidoxime-based polymeric adsorbent developed at the Oak Ridge National Laboratory (ORNL). The adsorbent was packed either in in-line filters or in flow-through columns. The maximum amount of uranium uptake from seawater was 3.3 mg of U/g of adsorbent after 8 weeks of contact between the adsorbent and seawater. This uranium adsorption amount was about 3 timesmore » higher than the maximum amount achieved in this study by a leading adsorbent developed at the Japan Atomic Energy Agency (JAEA).« less

  1. A diffuse reflectance infrared Fourier transform spectroscopic study of adsorbed hydrazines

    NASA Technical Reports Server (NTRS)

    Davis, Dennis D.; Kilduff, Jan E.; Koontz, Steven L.

    1988-01-01

    Diffuse reflectance spectroscopy of fuel hydrazines adsorbed on silica, silica-alumina and alimina surfaces indicates that the primary surface-hydrazine interaction is hydrogen bonding. Hydrazine, on adsorption to a deuterated silica surface, undergoes a rapid H/D exchange with deuterated surface silanol (Si-OD) groups. Adsorption equilibria are rapidly established at room temperature. Monomethylhydrazine and unsymmetrical dimethylhydrazine are similarly adsorbed. On adsorption, the C-H stretching and methyl deformation modes of the methylhydrazines are shifted to higher frequencies by 10 to 20 cm(-1). These shifts are postulated to be due to changes in the lone-pair electro-density on the adjacent nitrogen atom and an electronegativity effect.

  2. Electrochemical Water Oxidation and Stereoselective Oxygen Atom Transfer Mediated by a Copper Complex.

    PubMed

    Kafentzi, Maria-Chrysanthi; Papadakis, Raffaello; Gennarini, Federica; Kochem, Amélie; Iranzo, Olga; Le Mest, Yves; Le Poul, Nicolas; Tron, Thierry; Faure, Bruno; Simaan, A Jalila; Réglier, Marius

    2018-04-06

    Water oxidation by copper-based complexes to form dioxygen has attracted attention in recent years, with the aim of developing efficient and cheap catalysts for chemical energy storage. In addition, high-valent metal-oxo species produced by the oxidation of metal complexes in the presence of water can be used to achieve substrate oxygenation with the use of H 2 O as an oxygen source. To date, this strategy has not been reported for copper complexes. Herein, a copper(II) complex, [(RPY2)Cu(OTf) 2 ] (RPY2=N-substituted bis[2-pyridyl(ethylamine)] ligands; R=indane; OTf=triflate), is used. This complex, which contains an oxidizable substrate moiety (indane), is used as a tool to monitor an intramolecular oxygen atom transfer reaction. Electrochemical properties were investigated and, upon electrolysis at 1.30 V versus a normal hydrogen electrode (NHE), both dioxygen production and oxygenation of the indane moiety were observed. The ligand was oxidized in a highly diastereoselective manner, which indicated that the observed reactivity was mediated by metal-centered reactive species. The pH dependence of the reactivity was monitored and correlated with speciation deduced from different techniques, ranging from potentiometric titrations to spectroscopic studies and DFT calculations. Water oxidation for dioxygen production occurs at neutral pH and is probably mediated by the oxidation of a mononuclear copper(II) precursor. It is achieved with a rather low overpotential (280 mV at pH 7), although with limited efficiency. On the other hand, oxygenation is maximum at pH 8-8.5 and is probably mediated by the electrochemical oxidation of an antiferromagnetically coupled dinuclear bis(μ-hydroxo) copper(II) precursor. This constitutes the first example of copper-centered oxidative water activation for a selective oxygenation reaction. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Self-Assembled Fe-N-Doped Carbon Nanotube Aerogels with Single-Atom Catalyst Feature as High-Efficiency Oxygen Reduction Electrocatalysts

    DOE PAGES

    Zhu, Chengzhou; Fu, Shaofang; Song, Junhua; ...

    2017-02-06

    In this study, self-assembled M–N-doped carbon nanotube aerogels with single-atom catalyst feature are for the first time reported through one-step hydrothermal route and subsequent facile annealing treatment. By taking advantage of the porous nanostructures, 1D nanotubes as well as single-atom catalyst feature, the resultant Fe–N-doped carbon nanotube aerogels exhibit excellent oxygen reduction reaction electrocatalytic performance even better than commercial Pt/C in alkaline solution.

  4. Light-induced atomic desorption in a compact system for ultracold atoms

    PubMed Central

    Torralbo-Campo, Lara; Bruce, Graham D.; Smirne, Giuseppe; Cassettari, Donatella

    2015-01-01

    In recent years, light-induced atomic desorption (LIAD) of alkali atoms from the inner surface of a vacuum chamber has been employed in cold atom experiments for the purpose of modulating the alkali background vapour. This is beneficial because larger trapped atom samples can be loaded from vapour at higher pressure, after which the pressure is reduced to increase the lifetime of the sample. We present an analysis, based on the case of rubidium atoms adsorbed on pyrex, of various aspects of LIAD that are useful for this application. Firstly, we study the intensity dependence of LIAD by fitting the experimental data with a rate-equation model, from which we extract a correct prediction for the increase in trapped atom number. Following this, we quantify a figure of merit for the utility of LIAD in cold atom experiments and we show how it can be optimised for realistic experimental parameters. PMID:26458325

  5. First-principles study of Cs/Rb co-doped FAPbI3 stability and degradation in the presence of water and oxygen

    NASA Astrophysics Data System (ADS)

    Guo, Yao; Li, Chengbo; Xue, Yuanbin; Geng, Cuihuan; Tian, Dayong

    2018-02-01

    The poor stability of organometallic halide perovskite in humid environments is one of the biggest challenges for its commercialization in light harvesting and electroluminescent displays. Understanding the atomic detail of the perovskite/water (oxygen) interface is a critical way to explore the practicability of perovskite. In this work, we report a density functional study of water and oxygen adsorption on the Cs/Rb incorporated FAPbI3 (001) surface. The role played by water and oxygen molecules has been extensively studied in the initial degradation processes, where the strong interactions between adsorbates and perovskite surfaces are confirmed. Our results show that the dopant-terminated surface was relatively more stable than PbI2-termination one. The effects of doping on the optoelectronic properties were slight at low concentrations. The calculations showed that the molecule tend to adsorb on the I-top site of the Cs-terminated surface and the Pb-top site of the PbI2 (Cs)-terminated surface. The vdW contribution on the bonding between bare surface and molecule can be observed. The degradation-induced optical absorption decrease in the visible region could be found. Water and oxygen molecule destroy the perovskite surface structures and subsequently reduce its conversion efficiency. These findings contribute molecular-level insight into the initial stage of perovskite degradation, which should be helpful to inspire new interfacial modifications to improve the stability of corresponding perovskite materials under wet conditions.

  6. Sorbent-based Oxygen Production for Energy Systems

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Sethi, Vijay

    Project DE-FE0024075 deals with the development of a moderate-temperature sorbent-based oxygen production technology. Sorbent-based oxygen production process utilizes oxygen-storage properties of Perovskites to (1) adsorb oxygen from air in a solid sorbent, and (2) release the adsorbed oxygen into a sweep gas such as CO 2 and/or steam for gasification systems or recycled flue gas for oxy-combustion systems. Pure oxygen can be produced by the use of vacuum instead of a sweep gas to affect the pressure swing. By developing more efficient and stable, higher sorption capacity, newer class of materials operating at moderate temperatures this process represents a majormore » advancement in air separation technology. Newly developed perovskite ceramic sorbent materials with order-disorder transition have a higher O 2 adsorption capacity, potentially 200 °C lower operating temperatures, and up to two orders of magnitude faster desorption rates than those used in earlier development efforts. The performance advancements afforded by the new materials lead to substantial savings in capital investment and operational costs. Cost of producing oxygen using sorbents could be as much as 26% lower than VPSA and about 13% lower than a large cryogenic air separation unit. Cost advantage against large cryogenic separation is limited because sorbent-based separation numbers up sorbent modules for achieving the larger capacity.« less

  7. Nafion induced surface confinement of oxygen in carbon-supported oxygen reduction catalysts

    DOE PAGES

    Chlistunoff, Jerzy; Sansinena, Jose -Maria

    2016-11-17

    We studied the surface confinement of oxygen inside layers of Nafion self-assembled on carbon-supported oxygen reduction reaction (ORR) catalysts. It is demonstrated that oxygen accumulates in the hydrophobic component of the polymer remaining in contact with the carbon surface. Furthermore, the amount of surface confined oxygen increases with the degree of carbon surface graphitization, which promotes the self-assembly of the polymer. Planar macrocyclic ORR catalysts possessing a delocalized system of π electrons such as Co and Fe porphyrins and phthalocyanines have virtually no effect on the surface confinement of oxygen, in accordance with their structural similarity to graphitic carbon surfacesmore » where they adsorb. Platinum particles in carbon-supported ORR catalysts with high metal contents (20%) disrupt the self-assembly of Nafion and virtually eliminate the oxygen confinement, but the phenomenon is still observed for low Pt loading (4.8%) catalysts.« less

  8. Nafion induced surface confinement of oxygen in carbon-supported oxygen reduction catalysts

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Chlistunoff, Jerzy; Sansinena, Jose -Maria

    We studied the surface confinement of oxygen inside layers of Nafion self-assembled on carbon-supported oxygen reduction reaction (ORR) catalysts. It is demonstrated that oxygen accumulates in the hydrophobic component of the polymer remaining in contact with the carbon surface. Furthermore, the amount of surface confined oxygen increases with the degree of carbon surface graphitization, which promotes the self-assembly of the polymer. Planar macrocyclic ORR catalysts possessing a delocalized system of π electrons such as Co and Fe porphyrins and phthalocyanines have virtually no effect on the surface confinement of oxygen, in accordance with their structural similarity to graphitic carbon surfacesmore » where they adsorb. Platinum particles in carbon-supported ORR catalysts with high metal contents (20%) disrupt the self-assembly of Nafion and virtually eliminate the oxygen confinement, but the phenomenon is still observed for low Pt loading (4.8%) catalysts.« less

  9. Co-adsorption of oxygen and formic acid on rutile TiO2 (110) studied by infrared reflection-absorption spectroscopy

    NASA Astrophysics Data System (ADS)

    Mattsson, Andreas; Österlund, Lars

    2017-09-01

    Adsorption of formic acid and co-adsorption with oxygen have been investigated on the rutile TiO2(110) surface using p- and s-polarized infrared reflection-absorption spectroscopy (IRRAS) at O2 exposures between 45 L to 8100 L and at temperatures between 273 K and 343 K. On the clean surface formic acid dissociates into a formate ion (formate) and a proton. Formate binds to two five-fold coordinated Ti atoms in the troughs along the [001] direction, and the proton binds to neighboring bridging O atoms. Exposure of adsorbed formate to O2 leads to a decrease in the asymmetric νas(OCO) band at 1532 cm-1 and to the concomitant formation of a new vibration band at 1516 cm-1. From the s-and p-polarized IRRAS measurements performed at different O2 exposures, surface pre-treatments and substrate temperatures, and by comparisons with previous reports, we conclude that the new species is a bidentate surface hydrogen carbonate, which is formed by reaction between formate and oxygen adatoms on the surface. The σv reflection plane of the surface hydrogen carbonate molecule is oriented along the [001] direction, i.e. the same direction as the adsorbed formate molecule. On the clean TiO2(110) surface exposed to O2 prior to formic acid adsorption, similar results are obtained. The reaction rate to form surface hydrogen carbonate from formate is found to follow first-order kinetics, with an apparent activation energy of Er=0.25 eV.

  10. Loss of oxygen from Venus

    NASA Astrophysics Data System (ADS)

    McElroy, M. B.; Prather, M. J.; Rodriguez, J. M.

    1982-06-01

    Ionization of thermal and nonthermal oxygen atoms above the plasmapause on Venus supplies an escape flux for O averaging 6 x 10 to the 6th atoms/sq cm-sec. Hydrogen and oxygen atoms escape with stoichiometry characteristic of water. It is argued that escape of H is controlled by the oxidation state of the atmosphere, regulated by escape of O.

  11. Complexation of lysozyme with adsorbed PtBS-b-SCPI block polyelectrolyte micelles on silver surface.

    PubMed

    Papagiannopoulos, Aristeidis; Christoulaki, Anastasia; Spiliopoulos, Nikolaos; Vradis, Alexandros; Toprakcioglu, Chris; Pispas, Stergios

    2015-01-20

    We present a study of the interaction of the positively charged model protein lysozyme with the negatively charged amphiphilic diblock polyelectrolyte micelles of poly(tert-butylstyrene-b-sodium (sulfamate/carboxylate)isoprene) (PtBS-b-SCPI) on the silver/water interface. The adsorption kinetics are monitored by surface plasmon resonance, and the surface morphology is probed by atomic force microscopy. The micellar adsorption is described by stretched-exponential kinetics, and the micellar layer morphology shows that the micelles do not lose their integrity upon adsorption. The complexation of lysozyme with the adsorbed micellar layers depends on the micelles arrangement and density in the underlying layer, and lysozyme follows the local morphology of the underlying roughness. When the micellar adsorbed amount is small, the layers show low capacity in protein complexation and low resistance in loading. When the micellar adsorbed amount is high, the situation is reversed. The adsorbed layers both with or without added protein are found to be irreversibly adsorbed on the Ag surface.

  12. Titanium-incorporated organic–inorganic hybrid adsorbent for improved CO{sub 2} adsorption performance

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zhang, Xiaoyun; Qin, Hongyan; Zhang, Sisi

    2015-02-15

    Highlights: • Titanium-incorporated organic–inorganic hybrid adsorbent was prepared. • The incorporation of Ti to the adsorbent showed significant effect. • The sorbent shows high CO{sub 2} capture capacity both in pure and diluted CO{sub 2} at RT. • The sorbent exhibits a high recycling stability after 15 cycling runs. - Abstract: The CO{sub 2} adsorption performance of acrylonitrile (AN)–tetraethylenepentamine (TEPA) adduct (hereafter referred to as TN) impregnated adsorbent was greatly enhanced by introduction of Titanium atom into the silica matrix. The adsorbents were characterized by X-ray fluorescence spectrometry (XRF), X-ray diffraction (XRD), transmission electron microscopy (TEM), N{sub 2} adsorption/desorption, UV–vismore » spectroscopy, Fourier transform infrared (FTIR) spectroscopy. The adsorption experiments together with the physicochemical characterization demonstrated that these adsorbents containing an optimal amount of Titanium (Ti/Si ≈ 0.1) remarkably reinforced the CO{sub 2} adsorption capacity and recycling stability. The highest CO{sub 2} uptakes reached 4.65 and 1.80 mmol CO{sub 2}/g adsorbent at 25 °C under 90% CO{sub 2} (CO{sub 2}/N{sub 2}, 90:10 V/V) and 1% CO{sub 2} (CO{sub 2}/N{sub 2}, 1:99 V/V) conditions for sample Ti(0.1)-DMS-TN, respectively. Repeated adsorption/desorption cycles revealed that the Ti-incorporated adsorbent showed only a tiny decrease in adsorption capacity (1.778 mmol CO{sub 2}/g adsorbent after 15 cycles, decreased by 0.95%), significantly enhanced the adsorbent recycling stability.« less

  13. Insights into thermal diffusion of germanium and oxygen atoms in HfO{sub 2}/GeO{sub 2}/Ge gate stacks and their suppressed reaction with atomically thin AlO{sub x} interlayers

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ogawa, Shingo, E-mail: Shingo-Ogawa@trc.toray.co.jp; Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, Suita, Osaka 565-0871; Asahara, Ryohei

    2015-12-21

    The thermal diffusion of germanium and oxygen atoms in HfO{sub 2}/GeO{sub 2}/Ge gate stacks was comprehensively evaluated by x-ray photoelectron spectroscopy and secondary ion mass spectrometry combined with an isotopic labeling technique. It was found that {sup 18}O-tracers composing the GeO{sub 2} underlayers diffuse within the HfO{sub 2} overlayers based on Fick's law with the low activation energy of about 0.5 eV. Although out-diffusion of the germanium atoms through HfO{sub 2} also proceeded at the low temperatures of around 200 °C, the diffusing germanium atoms preferentially segregated on the HfO{sub 2} surfaces, and the reaction was further enhanced at high temperatures withmore » the assistance of GeO desorption. A technique to insert atomically thin AlO{sub x} interlayers between the HfO{sub 2} and GeO{sub 2} layers was proven to effectively suppress both of these independent germanium and oxygen intermixing reactions in the gate stacks.« less

  14. Scanning tunneling microscopy and atomic force microscopy: application to biology and technology.

    PubMed

    Hansma, P K; Elings, V B; Marti, O; Bracker, C E

    1988-10-14

    The scanning tunneling microscope (STM) and the atomic force microscope (AFM) are scanning probe microscopes capable of resolving surface detail down to the atomic level. The potential of these microscopes for revealing subtle details of structure is illustrated by atomic resolution images including graphite, an organic conductor, an insulating layered compound, and individual adsorbed oxygen atoms on a semiconductor. Application of the STM for imaging biological materials directly has been hampered by the poor electron conductivity of most biological samples. The use of thin conductive metal coatings and replicas has made it possible to image some biological samples, as indicated by recently obtained images of a recA-DNA complex, a phospholipid bilayer, and an enzyme crystal. The potential of the AFM, which does not require a conductive sample, is shown with molecular resolution images of a nonconducting organic monolayer and an amino acid crystal that reveals individual methyl groups on the ends of the amino acids. Applications of these new microscopes to technology are demonstrated with images of an optical disk stamper, a diffraction grating, a thin-film magnetic recording head, and a diamond cutting tool. The STM has even been used to improve the quality of diffraction gratings and magnetic recording heads.

  15. Total photoionization cross sections of atomic oxygen from threshold to 44.3A

    NASA Technical Reports Server (NTRS)

    Angel, G. C.; Samson, James A. R.

    1987-01-01

    The relative cross section of atomic oxygen for the production of singly charged ions has been remeasured in more detail and extended to cover the wavelength range 44.3 to 910.5 A by the use of synchrotron radiation. In addition, the contribution of multiple ionization to the cross sections has been measured allowing total photoionization cross sections to be obtained below 250 A. The results have been made absolute by normalization to previously measured data. The use of synchrotron radiation has enabled measurements of the continuum cross section to be made between the numerous autoionizing resonances that occur near the ionization thresholds. This in turn has allowed a more critical comparison of the various theoretical estimates of the cross section to be made. The series of autoionizing resonances leading to the 4-P state of the oxygen ion have been observed for the first time in an ionization type experiment and their positions compared with both theory and previous photographic recordings.

  16. Atomic-Level Co3O4 Layer Stabilized by Metallic Cobalt Nanoparticles: A Highly Active and Stable Electrocatalyst for Oxygen Reduction.

    PubMed

    Liu, Min; Liu, Jingjun; Li, Zhilin; Wang, Feng

    2018-02-28

    Developing atomic-level transition oxides may be one of the most promising ways for providing ultrahigh electrocatalytic performance for oxygen reduction reaction (ORR), compared with their bulk counterparts. In this article, we developed a set of atomically thick Co 3 O 4 layers covered on Co nanoparticles through partial reduction of Co 3 O 4 nanoparticles using melamine as a reductive additive at an elevated temperature. Compared with the original Co 3 O 4 nanoparticles, the synthesized Co 3 O 4 with a thickness of 1.1 nm exhibits remarkably enhanced ORR activity and durability, which are even higher than those obtained by a commercial Pt/C in an alkaline environment. The superior activity can be attributed to the unique physical and chemical structures of the atomic-level oxide featuring the narrowed band gap and decreased work function, caused by the escaped lattice oxygen and the enriched coordination-unsaturated Co 2+ in this atomic layer. Besides, the outstanding durability of the catalyst can result from the chemically epitaxial deposition of the Co 3 O 4 on the cobalt surface. Therefore, the proposed synthetic strategy may offer a smart way to develop other atomic-level transition metals with high electrocatalytic activity and stability for energy conversion and storage devices.

  17. Detection of atomic oxygen and further line assignments in the far-infrared stratospheric spectrum

    NASA Technical Reports Server (NTRS)

    Carli, B.; Mencaraglia, F.; Bonetti, A.; Carlotti, M.; Nolt, I.

    1985-01-01

    Recent progress in high-resolution measurement of sub-millimeter and far-infrared emission in the stratosphere is reviewed. Attention is given to the results of recent balloon measurements of the minor stratospheric constituents in the spectral range 40-190 per cm. Emission spectra are presented for HCl; HF; and OH. Emission spectra were also obtained for atomic oxygen; hydrobromic acid; and hydroperoxyl radical. The possibility of detecting HO2 and H2O2 in the far-infrared is also briefly discussed.

  18. CO adsorption on ion bombarded Ni(111): characterization by photoemission from adsorbed xenon

    NASA Astrophysics Data System (ADS)

    Fu, Sabrina S.; Malafsky, Geoffrey P.; Hsu, David S. Y.

    1993-11-01

    The adsorption of CO on Ni(111), ion bombarded with various fluences of 1.0 keV Ar + ions, has been investigated using photoemission from adsorbed xenon (PAX). After ion bombardment of the Ni(111) surface, various amounts of CO were adsorbed, followed by adsorption of xenon at 85 K. Two pressures of xenon were used in examining the 3d {5}/{2} peak of xenon: 5 × 10 -6 and 7 × 10 -10 Torr. PAX data taken at both pressures show that CO selectively adsorbs onto the defect (step) sites created by ion bombardment. In addition, it was found that the amount of CO which could occupy a defect site previously occupied by one Xe atom varied from 10 to 2.5, depending on the ion fluence.

  19. Molecular Adsorber Coating

    NASA Technical Reports Server (NTRS)

    Straka, Sharon; Peters, Wanda; Hasegawa, Mark; Hedgeland, Randy; Petro, John; Novo-Gradac, Kevin; Wong, Alfred; Triolo, Jack; Miller, Cory

    2011-01-01

    A document discusses a zeolite-based sprayable molecular adsorber coating that has been developed to alleviate the size and weight issues of current ceramic puck-based technology, while providing a configuration that more projects can use to protect against degradation from outgassed materials within a spacecraft, particularly contamination-sensitive instruments. This coating system demonstrates five times the adsorption capacity of previously developed adsorber coating slurries. The molecular adsorber formulation was developed and refined, and a procedure for spray application was developed. Samples were spray-coated and tested for capacity, thermal optical/radiative properties, coating adhesion, and thermal cycling. Work performed during this study indicates that the molecular adsorber formulation can be applied to aluminum, stainless steel, or other metal substrates that can accept silicate-based coatings. The coating can also function as a thermal- control coating. This adsorber will dramatically reduce the mass and volume restrictions, and is less expensive than the currently used molecular adsorber puck design.

  20. Excitation and charge transfer in low-energy hydrogen atom collisions with neutral oxygen

    NASA Astrophysics Data System (ADS)

    Barklem, P. S.

    2018-02-01

    Excitation and charge transfer in low-energy O+H collisions is studied; it is a problem of importance for modelling stellar spectra and obtaining accurate oxygen abundances in late-type stars including the Sun. The collisions have been studied theoretically using a previously presented method based on an asymptotic two-electron linear combination of atomic orbitals (LCAO) model of ionic-covalent interactions in the neutral atom-hydrogen-atom system, together with the multichannel Landau-Zener model. The method has been extended to include configurations involving excited states of hydrogen using an estimate for the two-electron transition coupling, but this extension was found to not lead to any remarkably high rates. Rate coefficients are calculated for temperatures in the range 1000-20 000 K, and charge transfer and (de)excitation processes involving the first excited S-states, 4s.5So and 4s.3So, are found to have the highest rates. Data are available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/vizbin/qcat?J/A+A/610/A57. The data are also available at http://https://github.com/barklem/public-data

  1. Direct rate constant measurements for the reaction of ground-state atomic oxygen with ethylene, 244-1052 K

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Klemm, R.B.; Nesbitt, F.L.; Skolnik, E.G.

    The rate constant for the reaction of ground-state atomic oxygen with ethylene was determined by using two techniques: flash photolysis-resonance fluorescence (FP-RF, 244-1052 K) and discharge flow-resonance fluorescence (DF-RF, 298-1017 K). Kinetic complications due to the presence of molecular oxygen in the FP-RF experiments at high temperatures (T > 800 K) were overcome by using NO as the photolytic source of the O atoms. The rate constant, k/sub 1/ (T), derived in this study exhibits extreme non-Arrhenius behavior, but it can be successfully fit to the sum of exponentials expression, 244-1052 K, k/sub 1/(T) = (1.02 +/- 0.06) x 10/supmore » -11/ exp(-753 +/- 17 K/T) + (2.75 +/- 0.26) x 10/sup -10/ exp(-4220 +/- 550 K/T), in units of cm/sup 3/ molecule/sup -1/ s/sup -1/. Additionally, a fit of the results of this work to a simple transition-state theory expression and the comparison of these results with those of other workers are discussed.« less

  2. Adsorbent materials from paper industry waste materials and their use in Cu(II) removal from water.

    PubMed

    Méndez, A; Barriga, S; Fidalgo, J M; Gascó, G

    2009-06-15

    This paper deals with the removal of Cu(2+) from water using adsorbent materials prepared from paper industry waste materials (one de-inking paper sludge and other sludge from virgin pulp mill). Experimental results showed that de-inking paper sludge leads to mesoporous materials (V(mic)/V(T)=0.13 and 0.14), whereas the sludge from virgin pulp mill produces high microporous adsorbents (V(mic)/V(T)=0.39 and 0.41). Adsorbent materials were then used for Cu(2+) removal from water at acid pH. During water treatment, heavy metals lixiviation from adsorbent materials was not produced. However, important Ca and Mg leaching was observed. Final pH significantly increases after treatment of water with adsorbent materials probably due to their elevated CaCO(3) content. In general, highest Cu(2+) removal was obtained using adsorbent materials from de-inking paper sludge. This result could be due to their higher content in oxygenated surface groups, high average pore diameter, elevated superficial charge density, high CaCO(3) amount and high Ca and Mg exchange content.

  3. Development Trends in Porous Adsorbents for Carbon Capture.

    PubMed

    Sreenivasulu, Bolisetty; Sreedhar, Inkollu; Suresh, Pathi; Raghavan, Kondapuram Vijaya

    2015-11-03

    Accumulation of greenhouse gases especially CO2 in the atmosphere leading to global warming with undesirable climate changes has been a serious global concern. Major power generation in the world is from coal based power plants. Carbon capture through pre- and post- combustion technologies with various technical options like adsorption, absorption, membrane separations, and chemical looping combustion with and without oxygen uncoupling have received considerable attention of researchers, environmentalists and the stake holders. Carbon capture from flue gases can be achieved with micro and meso porous adsorbents. This review covers carbonaceous (organic and metal organic frameworks) and noncarbonaceous (inorganic) porous adsorbents for CO2 adsorption at different process conditions and pore sizes. Focus is also given to noncarbonaceous micro and meso porous adsorbents in chemical looping combustion involving insitu CO2 capture at high temperature (>400 °C). Adsorption mechanisms, material characteristics, and synthesis methods are discussed. Attention is given to isosteric heats and characterization techniques. The options to enhance the techno-economic viability of carbon capture techniques by integrating with CO2 utilization to produce industrially important chemicals like ammonia and urea are analyzed. From the reader's perspective, for different classes of materials, each section has been summarized in the form of tables or figures to get a quick glance of the developments.

  4. The role of beaded activated carbon's surface oxygen groups on irreversible adsorption of organic vapors.

    PubMed

    Jahandar Lashaki, Masoud; Atkinson, John D; Hashisho, Zaher; Phillips, John H; Anderson, James E; Nichols, Mark

    2016-11-05

    The objective of this study is to determine the contribution of surface oxygen groups to irreversible adsorption (aka heel formation) during cyclic adsorption/regeneration of organic vapors commonly found in industrial systems, including vehicle-painting operations. For this purpose, three chemically modified activated carbon samples, including two oxygen-deficient (hydrogen-treated and heat-treated) and one oxygen-rich sample (nitric acid-treated) were prepared. The samples were tested for 5 adsorption/regeneration cycles using a mixture of nine organic compounds. For the different samples, mass balance cumulative heel was 14 and 20% higher for oxygen functionalized and hydrogen-treated samples, respectively, relative to heat-treated sample. Thermal analysis results showed heel formation due to physisorption for the oxygen-deficient samples, and weakened physisorption combined with chemisorption for the oxygen-rich sample. Chemisorption was attributed to consumption of surface oxygen groups by adsorbed species, resulting in formation of high boiling point oxidation byproducts or bonding between the adsorbates and the surface groups. Pore size distributions indicated that different pore sizes contributed to heel formation - narrow micropores (<7Å) in the oxygen-deficient samples and midsize micropores (7-12Å) in the oxygen-rich sample. The results from this study help explain the heel formation mechanism and how it relates to chemically tailored adsorbent materials. Copyright © 2016 Elsevier B.V. All rights reserved.

  5. Aminosilica materials as adsorbents for the selective removal of aldehydes and ketones from simulated bio-oil.

    PubMed

    Drese, Jeffrey H; Talley, Anne D; Jones, Christopher W

    2011-03-21

    The fast pyrolysis of biomass is a potential route to the production of liquid biorenewable fuel sources. However, degradation of the bio-oil mixtures due to reaction of oxygenates, such as aldehydes and ketones, reduces the stability of the liquids and can impact long-term storage and shipping. Herein, solid aminosilica adsorbents are described for the selective adsorptive removal of reactive aldehyde and ketone species. Three aminosilica adsorbents are prepared through the reaction of amine-containing silanes with pore-expanded mesoporous silica. A fourth aminosilica adsorbent is prepared through the ring-opening polymerization of aziridine from pore-expanded mesoporous silica. Adsorption experiments with a representative mixture of bio-oil model compounds are presented using each adsorbent at room temperature and 45 °C. The adsorbent comprising only primary amines adsorbs the largest amount of aldehydes and ketones. The overall reactivity of this adsorbent increases with increasing temperature. Additional aldehyde screening experiments show that the reactivity of aldehydes with aminosilicas varies depending on their chemical functionality. Initial attempts to regenerate an aminosilica adsorbent by acid hydrolysis show that they can be at least partially regenerated for further use. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Effects on optical systems from interactions with oxygen atoms in low earth orbits

    NASA Technical Reports Server (NTRS)

    Peters, P. N.; Swann, J. T.; Gregory, J. C.

    1986-01-01

    Modifications of material surface properties due to interactions with ambient atomic oxygen have been observed on surfaces facing the orbital direction in low earth orbits. Some effects are very damaging to surface optical properties while some are more subtle and even beneficial. Most combustible materials are heavily etched, and some coatings, such as silver and osmium, are seriously degraded or removed as volatile oxides. The growth of oxide films on metals and semiconductors considered stable in dry air was measured. Material removal, surface roughness, reflectance, and optical densities are reported. Effects of temperature, contamination, and overcoatings are noted.

  7. Effects on optical systems from interactions with oxygen atoms in low earth orbits

    NASA Astrophysics Data System (ADS)

    Peters, P. N.; Swann, J. T.; Gregory, J. C.

    1986-04-01

    Modifications of material surface properties due to interactions with ambient atomic oxygen have been observed on surfaces facing the orbital direction in low earth orbits. Some effects are very damaging to surface optical properties while some are more subtle and even beneficial. Most combustible materials are heavily etched, and some coatings, such as silver and osmium, are seriously degraded or removed as volatile oxides. The growth of oxide films on metals and semiconductors considered stable in dry air was measured. Material removal, surface roughness, reflectance, and optical densities are reported. Effects of temperature, contamination, and overcoatings are noted.

  8. Atomic Resolution of Calcium and Oxygen Sublattices of Calcite in Ambient Conditions by Atomic Force Microscopy Using qPlus Sensors with Sapphire Tips.

    PubMed

    Wastl, Daniel S; Judmann, Michael; Weymouth, Alfred J; Giessibl, Franz J

    2015-01-01

    Characterization and imaging at the atomic scale with atomic force microscopy in biocompatible environments is an ongoing challenge. We demonstrate atomically resolved imaging of the calcite (101̅4) surface plane using stiff quartz cantilevers ("qPlus sensors", stiffness k = 1280 N/m) equipped with sapphire tips in ambient conditions without any surface preparation. With 10 atoms in one surface unit cell, calcite has a highly complex surface structure comprising three different chemical elements (Ca, C, and O). We obtain true atomic resolution of calcite in air at relative humidity ranging from 20% to 40%, imaging atomic steps and single atomic defects. We observe a great durability of sapphire tips with their Mohs hardness of 9, only one step below diamond. Depending on the state of the sapphire tip, we resolve either the calcium or the oxygen sublattice. We determine the tip termination by comparing the experimental images with simulations and discuss the possibility of chemical tip identification in air. The main challenges for imaging arise from the presence of water layers, which form on almost all surfaces and have the potential to dissolve the crystal surface. Frequency shift versus distance spectra show the presence of at least three ordered hydration layers. The measured height of the first hydration layer corresponds well to X-ray diffraction data and molecular dynamic simulations, namely, ∼220 pm. For the following hydration layers we measure ∼380 pm for the second and third layer, ending up in a total hydration layer thickness of at least 1 nm. Understanding the influence of water layers and their structure is important for surface segregation, surface reactions including reconstructions, healing of defects, and corrosion.

  9. Methanol oxidation on stoichiometric and oxygen-rich RuO2(110).

    PubMed

    Rai, Rahul; Weaver, Jason F

    2017-07-26

    We used temperature-programmed reaction spectroscopy (TPRS) to investigate the adsorption and oxidation of methanol on stoichiometric and O-rich RuO 2 (110) surfaces. We find that the complete oxidation of CH 3 OH is strongly preferred on stoichiometric RuO 2 (110) during TPRS for initial CH 3 OH coverages below ∼0.33 ML (monolayer), and that partial oxidation to mainly CH 2 O becomes increasingly favored with increasing CH 3 OH coverage from 0.33 to 1.0 ML. We present evidence that an adsorbed CH 2 O 2 species serves as the key intermediate to complete oxidation and that CH 2 O 2 formation is intrinsically facile but becomes limited by the availability of bridging O-atoms on stoichiometric RuO 2 (110) at initial CH 3 OH coverages above 0.33 ML. We show that methanol molecules adsorbed in excess of 0.33 ML dehydrogenate to mainly CH 2 O and desorb during TPRS, with adsorbed CH 3 O groups mediating the evolution of both CH 2 O and CH 3 OH. We find that O-rich RuO 2 (110) surfaces are also highly active toward methanol oxidation and that selectivity toward the complete oxidation of methanol increases markedly with increasing coverage of on-top O-atoms (O ot ) on RuO 2 (110). Our results demonstrate that CH 3 OH species adsorbed within O ot -rich domains react efficiently during TPRS, in parallel with reaction of CH 3 OH adsorbed initially on cus-Ru sites. The data suggests that the facile hydrogenation of O ot atoms and the resulting desorption of H 2 O at low-temperature (<∼400 K) provides an efficient pathway for restoring reactive O-atoms and thereby promoting complete oxidation of methanol on the O-rich RuO 2 (110) surface.

  10. The uranium from seawater program at PNNL: Overview of marine testing, adsorbent characterization, adsorbent durability, adsorbent toxicity, and deployment studies

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Gill, Gary A.; Kuo, Li -Jung; Janke, Christopher James

    The Pacific Northwest National Laboratory's (PNNL) Marine Science Laboratory (MSL) located along the coast of Washington State is evaluating the performance of uranium adsorption materials being developed for seawater extraction under realistic marine conditions with natural seawater. Two types of exposure systems were employed in this program: flow-through columns for testing of fixed beds of individual fibers and pellets and a recirculating water flume for testing of braided adsorbent material. Testing consists of measurements of the adsorption of uranium and other elements from seawater as a function of time, typically 42 to 56 day exposures, to determine the adsorbent capacitymore » and adsorption rate (kinetics). Analysis of uranium and other trace elements collected by the adsorbents was conducted following strong acid digestion of the adsorbent with 50% aqua regia using either Inductively Coupled Plasma Optical Emission Spectrometry (ICP-OES) or Inductively Coupled Plasma Mass Spectrometer (ICP-MS). The ORNL 38H adsorbent had a 56 day adsorption capacity of 3.30 ± 0.68 g U/ kg adsorbent (normalized to a salinity of 35 psu), a saturation adsorption capacity of 4.89 ± 0.83 g U/kg of adsorbent material (normalized to a salinity of 35 psu) and a half-saturation time of 28 10 days. The AF1 adsorbent material had a 56 day adsorption capacity of 3.9 ± 0.2 g U/kg adsorbent material (normalized to a salinity of 35 psu), a saturation capacity of 5.4 ± 0.2 g U/kg adsorbent material (normalized to a salinity of 35 psu) and a half saturation time of 23 2 days. The ORNL amidoxime-based adsorbent materials are not specific for uranium, but also adsorb other elements from seawater. The major doubly charged cations in seawater (Ca and Mg) account for a majority of the cations adsorbed (61% by mass and 74% by molar percent). For the ORNL AF1 adsorbent material, U is the 4th most abundant element adsorbed by mass and 7th most abundant by molar percentage. Marine testing

  11. The uranium from seawater program at PNNL: Overview of marine testing, adsorbent characterization, adsorbent durability, adsorbent toxicity, and deployment studies

    DOE PAGES

    Gill, Gary A.; Kuo, Li -Jung; Janke, Christopher James; ...

    2016-02-07

    The Pacific Northwest National Laboratory's (PNNL) Marine Science Laboratory (MSL) located along the coast of Washington State is evaluating the performance of uranium adsorption materials being developed for seawater extraction under realistic marine conditions with natural seawater. Two types of exposure systems were employed in this program: flow-through columns for testing of fixed beds of individual fibers and pellets and a recirculating water flume for testing of braided adsorbent material. Testing consists of measurements of the adsorption of uranium and other elements from seawater as a function of time, typically 42 to 56 day exposures, to determine the adsorbent capacitymore » and adsorption rate (kinetics). Analysis of uranium and other trace elements collected by the adsorbents was conducted following strong acid digestion of the adsorbent with 50% aqua regia using either Inductively Coupled Plasma Optical Emission Spectrometry (ICP-OES) or Inductively Coupled Plasma Mass Spectrometer (ICP-MS). The ORNL 38H adsorbent had a 56 day adsorption capacity of 3.30 ± 0.68 g U/ kg adsorbent (normalized to a salinity of 35 psu), a saturation adsorption capacity of 4.89 ± 0.83 g U/kg of adsorbent material (normalized to a salinity of 35 psu) and a half-saturation time of 28 10 days. The AF1 adsorbent material had a 56 day adsorption capacity of 3.9 ± 0.2 g U/kg adsorbent material (normalized to a salinity of 35 psu), a saturation capacity of 5.4 ± 0.2 g U/kg adsorbent material (normalized to a salinity of 35 psu) and a half saturation time of 23 2 days. The ORNL amidoxime-based adsorbent materials are not specific for uranium, but also adsorb other elements from seawater. The major doubly charged cations in seawater (Ca and Mg) account for a majority of the cations adsorbed (61% by mass and 74% by molar percent). For the ORNL AF1 adsorbent material, U is the 4th most abundant element adsorbed by mass and 7th most abundant by molar percentage. Marine testing

  12. Energetic Atomic and Ionic Oxygen Textured Optical Surfaces for Blood Glucose Monitoring

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A. (Inventor)

    2007-01-01

    Disclosed is a method and the resulting product thereof comprising a solid light-conducting fiber with a point of attachment and having a textured surface site consisting of a textured distal end prepared by being placed in a vacuum and then subjected to directed hyperthermal beams comprising oxygen ions or atoms. The textured distal end comprises cones or pillars that are spaced upon from each other by less than 1 micron and are extremely suitable to prevent cellular components of blood from entering the valleys between the cones or pillars so as to effectively separate the cellular components in the blood from interfering with optical sensing of the glucose concentration for diabetic patients.

  13. Energetic atomic and ionic oxygen textured optical surfaces for blood glucose monitoring

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A. (Inventor)

    2007-01-01

    Disclosed is a method and the resulting product thereof comprising a solid light-conducting fiber with a point of attachment and having a textured surface site consisting a textured distal end prepared by being placed in a vacuum and then subjected to directed hyperthermal beams comprising oxygen ions or atoms. The textured distal end comprises cones or pillars that are spaced upon from each other by less than 1 micron and are extremely suitable to prevent cellular components of blood from entering the valleys between the cones or pillars so as to effectively separate the cellular components in the blood from interfering with optical sensing of the glucose concentration for diabetic patients.

  14. Model of spacecraft atomic oxygen and solar exposure microenvironments

    NASA Technical Reports Server (NTRS)

    Bourassa, R. J.; Pippin, H. G.

    1993-01-01

    Computer models of environmental conditions in Earth orbit are needed for the following reasons: (1) derivation of material performance parameters from orbital test data, (2) evaluation of spacecraft hardware designs, (3) prediction of material service life, and (4) scheduling spacecraft maintenance. To meet these needs, Boeing has developed programs for modeling atomic oxygen (AO) and solar radiation exposures. The model allows determination of AO and solar ultraviolet (UV) radiation exposures for spacecraft surfaces (1) in arbitrary orientations with respect to the direction of spacecraft motion, (2) overall ranges of solar conditions, and (3) for any mission duration. The models have been successfully applied to prediction of experiment environments on the Long Duration Exposure Facility (LDEF) and for analysis of selected hardware designs for deployment on other spacecraft. The work on these models has been reported at previous LDEF conferences. Since publication of these reports, a revision has been made to the AO calculation for LDEF, and further work has been done on the microenvironments model for solar exposure.

  15. Atomic Oxygen Treatment Technique for Removal of Smoke Damage from Paintings

    NASA Technical Reports Server (NTRS)

    Rutledge, S. K.; Banks, B. A.

    1997-01-01

    Soot deposits that can accumulate on surfaces of a painting during a fire can be difficult to clean from some types of paintings without damaging the underlying paint layers. A non-contact technique has been developed which can remove the soot by allowing a gas containing atomic oxygen to flow over the surface and chemically react with the soot to form carbon monoxide and carbon dioxide. The reaction is limited to the surface, so the underlying paint is not touched. The process can be controlled so that the cleaning can be stopped once the paint surface is reached. This paper describes the smoke exposure and cleaning of untreated canvas, acrylic gesso, and sections of an oil painting using this technique. The samples were characterized by optical microscopy and reflectance spectroscopy.

  16. Kinetics of Fast Atoms in the Terrestrial Atmosphere

    NASA Technical Reports Server (NTRS)

    Kharchenko, Vasili A.; Dalgarno, A.; Mellott, Mary (Technical Monitor)

    2002-01-01

    This report summarizes our investigations performed under NASA Grant NAG5-8058. The three-year research supported by the Geospace Sciences SR&T program (Ionospheric, Thermospheric, and Mesospheric Physics) has been designed to investigate fluxes of energetic oxygen and nitrogen atoms in the terrestrial thermosphere. Fast atoms are produced due to absorption of the solar radiation and due to coupling between the ionosphere and the neutral thermospheric gas. We have investigated the impact of hot oxygen and nitrogen atoms on the thermal balance, chemistry and radiation properties of the terrestrial thermosphere. Our calculations have been focused on the accurate quantitative description of the thermalization of O and N energetic atoms in collisions with atom and molecules of the ambient neutral gas. Upward fluxes of oxygen and nitrogen atoms, the rate of atmospheric heating by hot oxygen atoms, and the energy input into translational and rotational-vibrational degrees of atmospheric molecules have been evaluated. Altitude profiles of hot oxygen and nitrogen atoms have been analyzed and compared with available observational data. Energetic oxygen atoms in the terrestrial atmosphere have been investigated for decades, but insufficient information on the kinetics of fast atmospheric atoms has been a main obstacle for the interpretation of observational data and modeling of the hot geocorona. The recent development of accurate computational methods of the collisional kinetics is seen as an important step in the quantitative description of hot atoms in the thermosphere. Modeling of relaxation processes in the terrestrial atmosphere has incorporated data of recent observations, and theoretical predictions have been tested by new laboratory measurements.

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

    NASA Astrophysics Data System (ADS)

    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

  18. Selective adsorption for removal of nitrogen compounds from hydrocarbon streams over carbon-based adsorbents

    NASA Astrophysics Data System (ADS)

    Almarri, Masoud S.

    The ultimate goal of this thesis is to develop a fundamental understanding of the role of surface oxygen functional groups on carbon-based adsorbents in the adsorption of nitrogen compounds that are known to be present in liquid fuels. N2 adsorption was used to characterize pore structures. The surface chemical properties of the adsorbents were characterized by X-ray photoelectron spectroscopy (XPS) and temperature-programmed desorption (TPD) techniques with a mass spectrometer to identify and quantify the type and concentration of oxygen functional groups on the basis of CO2 and CO evolution profiles. It was found that although surface area and pore size distribution are important for the adsorption process, they are not primary factors in the adsorption of nitrogen compounds. On the other hand, both the type and concentration of surface oxygen-containing functional groups play an important role in determining adsorptive denitrogenation performance. Higher concentrations of the oxygen functional groups on the adsorbents resulted in a higher adsorption capacity for the nitrogen compounds. A fundamental insight was gained into the contributions of different oxygen functional groups by analyzing the changes in the monolayer maximum adsorption capacity, qm, and the adsorption constant, K, for nitrogen compounds on different activated carbons. Acidic functional groups such as carboxylic acids and carboxylic anhydrides appear to contribute more to the adsorption of quinoline, while the basic oxygen functional groups such as carbonyls and quinones enhance the adsorption of indole. Despite the high number of publications on the adsorptive desulfurization of liquid hydrocarbon fuels, these studies did not consider the presence of coexisting nitrogen compounds. It is well-known that, to achieve ultraclean diesel fuel, sulfur must be reduced to a very low level, where the concentrations of nitrogen and sulfur compounds are comparable. The adsorptive denitrogenation and

  19. Structure of Irreversibly Adsorbed Star Polymers

    NASA Astrophysics Data System (ADS)

    Akgun, Bulent; Aykan, Meryem Seyma; Canavar, Seda; Satija, Sushil K.; Uhrig, David; Hong, Kunlun

    Formation of irreversibly adsorbed polymer chains on solid substrates have a huge impact on the wetting, glass transition, aging and polymer chain mobility in thin films. In recent years there has been many reports on the formation, kinetics and dynamics of these layers formed by linear homopolymers. Recent studies showed that by varying the number of polymer arms and arm molecular weight one can tune the glass transition temperature of thin polymer films. Using polymer architecture as a tool, the behavior of thin films can be tuned between the behavior of linear chains and soft colloids. We have studied the effect of polymer chain architecture on the structure of dead layer using X-ray reflectivity (XR) and atomic force microscopy. Layer thicknesses and densities of flattened and loosely adsorbed chains has been measured for linear, 4-arm, and 8-arm star polymers with identical total molecular weight as a function of substrate surface energy, annealing temperature and annealing time. Star polymers have been synthesized using anionic polymerization. XR measurements showed that 8-arm star PS molecules form the densest and the thickest dead layers among these three molecules.

  20. The effect of sputter temperature on vacancy island behavior on Ni(111) measured by photoemission of adsorbed xenon

    NASA Astrophysics Data System (ADS)

    Malafsky, Geoffrey P.

    1994-04-01

    The temperature dependence of vacancy coalescence on an ion bombarded Ni(111) surface is measured by photoemission of adsorbed xenon (PAX). The Ni(111) crystal is sputtered by a low fluence (0.06 ML incident ions) Ar + ion beam with incident kinetic energies of 500-3000 eV. The Xe coverage decreases rapidly with increasing temperature between 88 and 375 K with little additional change from 375 to 775 K. The PAX spectra are acquired with a Xe chamber pressure of 8 × 10 -10 Torr and at a temperature of 88 K. Under these conditions, the Xe is selectively adsorbed at defect sites which would make the Xe coverage proportional to the surface defect density on simple defect structures but the large size of the Xe atom relative to the Ni atom prevents the direct relationship of Xe coverage to the defect density when complex and varying defect structures are present. The decrease in Xe coverage is not attributed to the loss of defect sites by adatom-vacancy recombination but the changing vacancy island shape and size with temperature which alters the ratio of adsorbed Xe atoms to surface vacancy sites. This ratio decreases with increasing temperature as the vacancy islands progress from small and irregularly shaped islands to larger and hexagonally shaped islands. This transition is seen in Monte Carlo simulations of the kinetically driven atomic diffusion on the sputtered surface.

  1. Formic Acid Dissociative Adsorption on NiO(111): Energetics and Structure of Adsorbed Formate

    DOE PAGES

    Zhao, Wei; Doyle, Andrew D.; Morgan, Sawyer E.; ...

    2017-11-21

    Here, the dissociative adsorption of carboxylic acids on oxide surfaces is important for understanding adsorbed carboxylates, which are important as intermediates in catalytic reactions, for the organo-functionalization of oxide surfaces, and in many other aspects of oxide surface chemistry. We present here the first direct experimental measurement of the heat of dissociative adsorption of any carboxylic acid on any single-crystal oxide surface. The enthalpy of the dissociative adsorption of formic acid, the simplest carboxylic acid, to produce adsorbed formate and hydrogen (as a surface hydroxyl) on a (2 × 2)-NiO(111) surface is measured by single crystal adsorption calorimetry. The differentialmore » heat of adsorption decreases with formic acid coverage from 202 to 99 kJ/mol at saturation (0.25 ML). The structure of the adsorbed products is clarified by density functional theory (DFT) calculations, which provide energies in reasonable agreement with the calorimetry. These calculations show that formic acid readily dissociates on both the oxygen and Ni terminations of the octapolar NiO(111) surfaces, donating its acid H to a surface lattice oxygen, while HCOO adsorbs preferentially with bridging-type geometry near the M-O 3/O-M 3 sites. The calculated energetics at low coverages agrees well with experimental data, while larger differences are observed at high coverage (0.25 ML). The large decrease in experimental heat of adsorption with coverage can be brought into agreement with the DFT energies if we assume that both types of octapolar surface terminations (O- and Ni-) are present on the starting surface.« less

  2. Formic Acid Dissociative Adsorption on NiO(111): Energetics and Structure of Adsorbed Formate

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zhao, Wei; Doyle, Andrew D.; Morgan, Sawyer E.

    Here, the dissociative adsorption of carboxylic acids on oxide surfaces is important for understanding adsorbed carboxylates, which are important as intermediates in catalytic reactions, for the organo-functionalization of oxide surfaces, and in many other aspects of oxide surface chemistry. We present here the first direct experimental measurement of the heat of dissociative adsorption of any carboxylic acid on any single-crystal oxide surface. The enthalpy of the dissociative adsorption of formic acid, the simplest carboxylic acid, to produce adsorbed formate and hydrogen (as a surface hydroxyl) on a (2 × 2)-NiO(111) surface is measured by single crystal adsorption calorimetry. The differentialmore » heat of adsorption decreases with formic acid coverage from 202 to 99 kJ/mol at saturation (0.25 ML). The structure of the adsorbed products is clarified by density functional theory (DFT) calculations, which provide energies in reasonable agreement with the calorimetry. These calculations show that formic acid readily dissociates on both the oxygen and Ni terminations of the octapolar NiO(111) surfaces, donating its acid H to a surface lattice oxygen, while HCOO adsorbs preferentially with bridging-type geometry near the M-O 3/O-M 3 sites. The calculated energetics at low coverages agrees well with experimental data, while larger differences are observed at high coverage (0.25 ML). The large decrease in experimental heat of adsorption with coverage can be brought into agreement with the DFT energies if we assume that both types of octapolar surface terminations (O- and Ni-) are present on the starting surface.« less

  3. Making More-Complex Molecules Using Superthermal Atom/Molecule Collisions

    NASA Technical Reports Server (NTRS)

    Shortt, Brian; Chutjian, Ara; Orient, Otto

    2008-01-01

    A method of making more-complex molecules from simpler ones has emerged as a by-product of an experimental study in outer-space atom/surface collision physics. The subject of the study was the formation of CO2 molecules as a result of impingement of O atoms at controlled kinetic energies upon cold surfaces onto which CO molecules had been adsorbed. In this study, the O/CO system served as a laboratory model, not only for the formation of CO2 but also for the formation of other compounds through impingement of rapidly moving atoms upon molecules adsorbed on such cold interstellar surfaces as those of dust grains or comets. By contributing to the formation of increasingly complex molecules, including organic ones, this study and related other studies may eventually contribute to understanding of the origins of life.

  4. Surface interaction mechanisms of 5eV atomic oxygen: Data analysis from the UAH experiment on STS-8

    NASA Technical Reports Server (NTRS)

    Gregory, J. C.

    1987-01-01

    The University of Alabama in Huntsville (UAH) experiment which flew on the STS-8 mission had several objectives which were mostly of a speculative nature since so little was known of the processes of interest. The experiment provided original, if limited, data on: (1) oxidation of metal surfaces, (2) reaction rates of atomic oxygen with carbon and other surfaces and the dependence of these rates on temperature, and (3) the angular distribution of 5eV atoms scattered off a solid surface. Provided is a review of the results, with reference given to fuller published accounts where these are available.

  5. Kinetics of oxygen species in an electrically driven singlet oxygen generator

    NASA Astrophysics Data System (ADS)

    Azyazov, V. N.; Torbin, A. P.; Pershin, A. A.; Mikheyev, P. A.; Heaven, M. C.

    2015-12-01

    The kinetics of oxygen species in the gaseous medium of a discharge singlet oxygen generator has been revisited. Vibrationally excited ozone O3(υ) formed in O + O2 recombination is thought to be a significant agent in the deactivation of singlet oxygen O2(a1Δ), oxygen atom removal and ozone formation. It is shown that the process O3(υ ⩾ 2) + O2(a1Δ) → 2O2 + O is the main O2(a1Δ) deactivation channel in the post-discharge zone. If no measures are taken to decrease the oxygen atom concentration, the contribution of this process to the overall O2(a1Δ) removal is significant, even in the discharge zone. A simplified model for the kinetics of vibrationally excited ozone is proposed. Calculations based on this model yield results that are in good agreement with the experimental data.

  6. STM images and STS for a rectangular quantum corral constructed with δ-function barriers and the effect of an adsorbed atom on STM images and STS

    NASA Astrophysics Data System (ADS)

    Mitsuoka, Shigenori; Tamura, Akira

    2012-04-01

    Assuming that an electron confined by double δ-function barriers is in a quasi-stationary state, we derived eigenfunctions and eigenenergies of the electron. Applying this point of view to the electron confined in a rectangular quantum corral (QC), we obtained scanning tunneling microscopic (STM) images and scanning tunneling spectrum (STS). Our results are consistent with experimental ones, which confirms validity of the present model. Comparing with the treatment in which the corral potential is chosen to be of square-barrier type, the present treatment has an advantage that the eigenvalue equations are simple and the number of parameters that specify the potential barrier is only one except the bottom of the potential well. On the basis of a Dyson equation for the Green function we calculated STM images and STS of the QC having an adsorbed atom inside. Our results are consistent with experimental STM images and STS. In contrast to a previous viewpoint that the STS profile is reversed with that of the empty QC, we concluded the STS peaks of the adsorbed QC are shifted downward from those of the empty QC.

  7. Adsorption and diffusion of atomic oxygen and sulfur at pristine and doped Ni surfaces with implications for stress corrosion cracking

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Alexandrov, Vitaly; Sushko, Maria L.; Schreiber, Daniel K.

    A density-functional-theory modeling study of atomic oxygen/sulfur adsorption and diffusion at pristine and doped Ni(111) and (110) surfaces is presented. We find that oxygen and sulfur feature comparable adsorption energies over the same surface sites, however, the surface diffusion of sulfur is characterized by an activation barrier about one half that of oxygen. Calculations with different alloying elements at Ni surfaces show that Cr strongly enhances surface binding of both species in comparison to Al. These results in combination with previous modeling studies help explain the observed differences in selective grain boundary oxidation mechanisms of Ni-Cr and Ni-Al alloys.

  8. The molecular oxygen dayglow emissions as proxies for atomic oxygen and ozone in the mesosphere and lower thermosphere.

    NASA Astrophysics Data System (ADS)

    Yankovsky, Valentine A.; Manuilova, Rada; Martyshenko, Kseniia

    Currently there is no reliable method for remote sensing of altitude profile of the [O( (3) P)] in the daytime mesosphere and lower thermosphere, but atomic oxygen is a key component in the mechanism of the atmosphere cooling by quenching of vibrationally excited CO _{2} molecules and also one of basic quencher of electronically excited components in MLT region. On the other hand, airglow emission in 1.27 mum IR Atm(0 - 0) band from O _{2}(a (1) Delta _{g}, v = 0) has been used as a proxy for [O _{3}] in MLT for over a decade. However, this method is not suitable for detecting of relatively rapid [O _{3}] variations which occur due to the variability of the solar spectrum in the UV range (120 - 320 nm) and other space factors. The reason of above mentioned is the large value of photochemical lifetime of the O _{2}(a (1) Delta _{g}, v = 0) molecule which is within tau _{O2(a)} =3 (.) 10 (2) - 1 (.) 10 (3) s in the mesosphere and reaches 3 (.) 10 (3) s in the lower thermosphere. The aim of this study is revealing of proxies for retrievals of [O( (3) P)] and [O _{3}]. In the framework of developed model of electronic vibrational kinetics of excited products of O _{3} and O _{2} photolysis in MLT of the Earth (model YM-2011) [1] we solved direct problem for the system of 10 kinetic equations for populations of electronically-vibrationally excited levels of oxygen molecule O _{2}(a (1) Delta _{g}, v=0 - 5), O _{2}(b (1) Sigma (+) _{g}, v=0, 1, 2) and excited oxygen atom O( (1) D). In whole, more than 60 aeronomical reactions of photoexcitation and deexcitation, of energy transfer between these excited levels and of quenching of the levels in collisions with O( (3) P), O _{2}, N _{2}, O _{3} and CO _{2} are considered. Sensitivity analysis of obtained solutions showed that emissions in 629 nm band of the O _{2}(b (1) Sigma (+) _{g}, v=2) and 762 nm band of the O _{2}(b (1) Sigma (+) _{g}, v=0) molecules can be effective proxies for atomic oxygen in the altitude range 85

  9. From Mars Meteorites to Laboratory Investigations: Understanding Heterogeneous Photochemical Transformations Using Oxygen Triple Isotope Anomalies of Carbonates

    NASA Astrophysics Data System (ADS)

    Shaheen, R.; Smirnova, V.; Jackson, T. L.; Mang, L.; Thiemens, M. H.

    2016-12-01

    The planet Mars is unique in our solar system with a positive O-isotope anomaly observed in its bulk silicate and carbonates minerals ranging from 0.3 to 0.6 ‰. The carbonate isotopic signature can be used to reveal its origin, past history and atmosphere-hydrosphere-geosphere-interactions. Ozone is a powerful natural tracer of photochemical processes in Earth's atmosphere. It possess the highest enrichment in heavy isotopes δ17O ≈ δ18O (70-150‰) and oxygen isotopic anomaly (Δ17O = 30-40‰). The oxygen isotopic anomaly from ozone is transferred to other oxygen carrying molecules in the atmosphere through different mechanisms. Laboratory experiments were conducted with the JSC-Mars Simulant and iron oxide to investigate how this anomaly can be transferred to water and minerals under conditions similar to present day Mars. Three sets of laboratory experiments (O3-H2O-UV-minerals; O2-H2O-UV-minerals; O3-H2O-minerals) were performed. The oxygen triple isotopic analysis of product mineral carbonates formed from adsorbed CO2 reaction showed an oxygen isotopic anomaly (Δ17O = 0.4-3‰). The oxygen triple isotopic composition of water at photochemical equilibrium shifted towards ozone with Δ17O = 9‰ indicating reaction of ozone with water vapor via electronically excited oxygen atoms and transfer of the anomaly via hydroxyl radicals. HOx (HO, HO2) are extremely reactive and have very short life time (< μs), however, our data indicate that its signature is preserved through surficial interactions with adsorbed CO2 on mineral surfaces. Hydroxyl radicals may have played a significant role in heterogeneous photochemical transformations on mineral dust in the atmosphere of Mars and transfer of ozone anomaly to water and other oxygen bearing minerals through surficial reactions. Series of experiments were performed to constrain the amount of H2O required to preserve the oxygen isotope anomaly observed in carbonate minerals in the Martian meteorites. These

  10. Water Adsorption and Dissociation on Ceria-Supported Single-Atom Catalysts: A First-Principles DFT+U Investigation.

    PubMed

    Han, Zhong-Kang; Gao, Yi

    2016-02-01

    Single-atom catalysts have attracted wide attention owing to their extremely high atom efficiency and activities. In this paper, we applied density functional theory with the inclusion of the on-site Coulomb interaction (DFT+U) to investigate water adsorption and dissociation on clean CeO 2 (111) surfaces and single transition metal atoms (STMAs) adsorbed on the CeO 2 (111) surface. It is found that the most stable water configuration is molecular adsorption on the clean CeO 2 (111) surface and dissociative adsorption on STMA/CeO 2 (111) surfaces, respectively. In addition, our results indicate that the more the electrons that transfer from STMA to the ceria substrate, the stronger the binding energies between the STMA and ceria surfaces. A linear relationship is identified between the water dissociation barriers and the d band centers of STMA, known as the generalized Brønsted-Evans-Polanyi principle. By combining the oxygen spillovers, single-atom dispersion stabilities, and water dissociation barriers, Zn, Cr, and V are identified as potential candidates for the future design of ceria-supported single-atom catalysts for reactions in which the dissociation of water plays an important role, such as the water-gas shift reaction. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. An Unusual Strong Visible-Light Absorption Band in Red Anatase TiO2 Photocatalyst Induced by Atomic Hydrogen-Occupied Oxygen Vacancies.

    PubMed

    Yang, Yongqiang; Yin, Li-Chang; Gong, Yue; Niu, Ping; Wang, Jian-Qiang; Gu, Lin; Chen, Xingqiu; Liu, Gang; Wang, Lianzhou; Cheng, Hui-Ming

    2018-02-01

    Increasing visible light absorption of classic wide-bandgap photocatalysts like TiO 2 has long been pursued in order to promote solar energy conversion. Modulating the composition and/or stoichiometry of these photocatalysts is essential to narrow their bandgap for a strong visible-light absorption band. However, the bands obtained so far normally suffer from a low absorbance and/or narrow range. Herein, in contrast to the common tail-like absorption band in hydrogen-free oxygen-deficient TiO 2 , an unusual strong absorption band spanning the full spectrum of visible light is achieved in anatase TiO 2 by intentionally introducing atomic hydrogen-mediated oxygen vacancies. Combining experimental characterizations with theoretical calculations reveals the excitation of a new subvalence band associated with atomic hydrogen filled oxygen vacancies as the origin of such band, which subsequently leads to active photo-electrochemical water oxidation under visible light. These findings could provide a powerful way of tailoring wide-bandgap semiconductors to fully capture solar light. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Further investigations of experiment A0034 atomic oxygen stimulated outgassing

    NASA Technical Reports Server (NTRS)

    Linton, Roger C.; Finckenor, Miria M.; Kamenetzky, Rachel R.

    1995-01-01

    Thermal control coatings within the recessed compartments of LDEF Experiment A0034 experienced the maximum leading edge fluence of atomic oxygen with considerably less solar UV radiation exposure than top-surface mounted materials of other LDEF experiments on either the leading or the trailing edge. This combination of exposure within A0034 resulted in generally lower levels of darkening attributable to solar UV radiation than for similar materials on other LDEF experiments exposed to greater cumulative solar UV radiation levels. Changes in solar absorptance and infrared thermal emittance of the exposed coatings are thus unique to this exposure. Analytical results for other applications have been found for environmentally induced changes in fluorescence, surface morphology, light scattering, and the effects of coating outgassing products on adjacent mirrors and windows of the A0034 experiment. Some atmospheric bleaching of the thermal control coatings, in addition to that presumably experience during reentry and recovery operations, has been found since initial post-flight observations and measurements.

  13. Phosphate adsorption on aluminum-impregnated mesoporous silicates : surface structure and behavior of adsorbents

    Treesearch

    Eun Woo Shin; James S. Han; Min Jang; Soo-Hong Min; Jae Kwang Park; Roger M. Rowell

    2004-01-01

    Phosphorus from excess fertilizers and detergents ends up washing into lakes, creeks, and rivers. This overabundance of phosphorus causes excessive aquatic plant and algae growth and depletes the dissolved oxygen supply in the water. In this study, aluminum-impregnated mesoporous adsorbents were tested for their ability to remove phosphate from water. The surface...

  14. LASER APPLICATIONS AND OTHER TOPICS IN QUANTUM ELECTRONICS: Generation of singlet oxygen in fullerene-containing media: 1. Photodesorption of singlet oxygen from fullerene-containing surfaces

    NASA Astrophysics Data System (ADS)

    Belousova, I. M.; Belousov, V. P.; Danilov, O. B.; Ermakov, A. V.; Kiselev, V. M.; Kislyakov, I. M.; Sosnov, E. N.

    2008-03-01

    It is shown that upon irradiation of fullerene-containing surfaces by laser or flashlamp pulses, oxygen adsorbed by these surfaces efficiently escapes to the gas phase. The observation of luminescence pulses in the spectral region of 762 and 1268 nm confirms the presence of oxygen molecules in the excited singlet state in the desorbed oxygen. The conditions for optimisation of the efficiency of singlet-oxygen production are studied. It is shown that singlet oxygen at the concentration sufficient for obtaining operation of a fullerene-oxygen-iodine laser can be produced in this way.

  15. MISSE Scattered Atomic Oxygen Characterization Experiment

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.; deGroh, Kim K.; Miller, Sharon K.

    2006-01-01

    An experiment designed to measure the atomic oxygen (AO) erosion profile of scattered AO was exposed to Low Earth Orbital (LEO) AO for almost four years as part of the Materials International Space Station Experiment 1 and 2 (MISSE 1 and 2). The experiment was flown in MISSE Passive Experiment Carrier 2 (PEC 2), Tray 1, attached to the exterior of the International Space Station (ISS) Quest Airlock. The experiment consisted of an aperture disk lid of Kapton H (DuPont) polyimide coated on the space exposed surface with a thin AO durable silicon dioxide film. The aperture lid had a small hole in its center to allow AO to enter into a chamber and impact a base disk of aluminum. The AO that scattered from the aluminum base could react with the under side of the aperture lid which was coated sporadically with microscopic sodium chloride particles. Scattered AO erosion can occur to materials within a spacecraft that are protected from direct AO attack but because of apertures in the spacecraft the AO can attack the interior materials after scattering. The erosion of the underside of the Kapton lid was sufficient to be able to use profilometry to measure the height of the buttes that remained after washing off the salt particles. The erosion pattern indicated that peak flux of scattered AO occurred at and angle of approximately 45 from the incoming normal incidence on the aluminum base unlike the erosion pattern predicted for scattering based on Monte Carlo computational predictions for AO scattering from Kapton H polyimide. The effective erosion yield for the scattered AO was found to be a factor of 0.214 of that for direct impingement on Kapton H polyimide.

  16. KPFM/AFM imaging on TiO2(110) surface in O2 gas

    NASA Astrophysics Data System (ADS)

    Arima, Eiji; Wen, Huan Fei; Naitoh, Yoshitaka; Li, Yan Jun; Sugawara, Yasuhiro

    2018-03-01

    We have carried out high-speed imaging of the topography and local contact potential difference (LCPD) on rutile TiO2(110) in O2 gas by atomic force microscopy (AFM) and Kelvin probe force microscopy (KPFM). We succeeded in KPFM/AFM imaging with atomic resolution at 1 frame min-1 and observed the adsorbate on a hydroxylated TiO2(110) surface. The observed adsorbate is considered to be oxygen adatoms (Oa), hydroperoxyls (HO2), or terminal hydroxyls (OHt). After adsorption, changes in the topography and the LCPD of the adsorbate were observed. This phenomenon is thought to be caused by the charge transfer of the adsorbate. This technique has the potential to observe catalytic behavior with atomic resolution.

  17. Kinetics of nitric oxide and oxygen gases on porous Y-stabilized ZrO2-based sensors.

    PubMed

    Killa, Sajin; Cui, Ling; Murray, Erica P; Mainardi, Daniela S

    2013-08-16

    Using impedance spectroscopy the electrical response of sensors with various porous Y-stabilized ZrO2 (YSZ) microstructures was measured for gas concentrations containing 0-100 ppm NO with 10.5%O2 at temperatures ranging from 600-700 °C. The impedance response increased substantially as the sensor porosity increased from 46%-50%. Activation energies calculated based on data from the impedance measurements increased in magnitude (97.4-104.9 kJ/mol for 100 ppm NO) with respect to increasing YSZ porosity. Analysis of the oxygen partial pressure dependence of the sensors suggested that dissociative adsorption was the dominant rate limiting. The PWC/DNP theory level was used to investigate the gas-phase energy barrier of the 2NO+O2 → 2NO2 reaction on a 56-atom YSZ/Au model cluster using Density Functional Theory and Linear Synchronous Transit/Quadratic Synchronous Transit calculations. The reaction path shows oxygen surface reactions that begin with NO association with adsorbed O2 on a Zr surface site, followed by O2 dissociative adsorption, atomic oxygen diffusion, and further NO2 formation. The free energy barrier was calculated to be 181.7 kJ/mol at PWC/DNP. A qualitative comparison with the extrapolated data at 62% ± 2% porosity representing the YSZ model cluster indicates that the calculated barriers are in reasonable agreement with experiments, especially when the RPBE functional is used.

  18. Adsorbate-driven morphological changes on Cu(111) nano-pits

    DOE PAGES

    Mudiyanselage, K.; Xu, F.; Hoffmann, F. M.; ...

    2014-12-09

    Adsorbate-driven morphological changes of pitted-Cu(111) surfaces have been investigated following the adsorption and desorption of CO and H. The morphology of the pitted-Cu(111) surfaces, prepared by Ar + sputtering, exposed a few atomic layers deep nested hexagonal pits of diameters from 8 to 38 nm with steep step bundles. The roughness of pitted-Cu(111) surfaces can be healed by heating to 450-500 K in vacuum. Adsorption of CO on the pitted-Cu(111) surface leads to two infrared peaks at 2089-2090 and 2101-2105 cm -1 for CO adsorbed on under-coordinated sites in addition to the peak at 2071 cm -1 for CO adsorbedmore » on atop sites of the close-packed Cu(111) surface. CO adsorbed on under-coordinated sites is thermally more stable than that of atop Cu(111) sites. Annealing of the CO-covered surface from 100 to 300 K leads to minor changes of the surface morphology. In contrast, annealing of a H covered surface to 300 K creates a smooth Cu(111) surface as deduced from infrared data of adsorbed CO and scanning tunnelling microscopy (STM) imaging. The observation of significant adsorbate-driven morphological changes with H is attributed to its stronger modification of the Cu(111) surface by the formation of a sub-surface hydride with a hexagonal structure, which relaxes into the healed Cu(111) surface upon hydrogen desorption. These morphological changes occur ~150 K below the temperature required for healing of the pitted-Cu(111) surface by annealing in vacuum. In contrast, the adsorption of CO, which only interacts with the top-most Cu layer and desorbs by 160 K, does not significantly change the morphology of the pitted-Cu(111) surface.« less

  19. Atomic oxygen recombination on the ODS PM 1000 at high temperature under air plasma

    NASA Astrophysics Data System (ADS)

    Balat-Pichelin, M.; Bêche, E.

    2010-06-01

    High temperature materials are necessary for the design of primary heat shields for future reusable space vehicles re-entering atmospheric planet at hypersonic velocity. During the re-entry phase on earth, one of the most important phenomena occurring on the heat shield is the recombination of atomic oxygen and this phenomenon is more or less catalyzed by the material of the heat shield. PM 1000 is planned to be use on the EXPERT capsule to study in real conditions its catalycity. Before the flight, it is necessary to perform measurements on ground test facility. Experimental data of the recombination coefficient of atomic oxygen under air plasma flow were obtained in the diffusion reactor MESOX on pre-oxidized PM 1000, for two total pressures 300 and 1000 Pa in the temperature range (850-1650 K) using actinometry and optical emission spectroscopy. In this investigation, the evolution of the recombination coefficient is dependent of temperature, pressure level and also of the chemical composition of the surface leading to one order of magnitude for a given temperature. The recombination coefficient is increasing with temperature and also dependent on the static pressure. The surface change due to the plasma exposure is inspected with SEM, XRD and XPS. As chromium oxide is the main part of the oxide layer formed during the oxidation in air plasma conditions, a sintered Cr 2O 3 sample was elaborated from powders to compare the data of the recombination coefficient obtained on PM 1000. Pre- and post-test analyses on the several materials were carried out using SEM, WDS, XRD and XPS.

  20. Correlation between surface morphology and surface forces of protein A adsorbed on mica.

    PubMed Central

    Ohnishi, S; Murata, M; Hato, M

    1998-01-01

    We have investigated the morphology and surface forces of protein A adsorbed on mica surface in the protein solutions of various concentrations. The force-distance curves, measured with a surface force apparatus (SFA), were interpreted in terms of two different regimens: a "large-distance" regimen in which an electrostatic double-layer force dominates, and an "adsorbed layer" regimen in which a force of steric origin dominates. To further clarify the forces of steric origin, the surface morphology of the adsorbed protein layer was investigated with an atomic force microscope (AFM) because the steric repulsive forces are strongly affected by the adsorption mode of protein A molecules on mica. At lower protein concentrations (2 ppm, 10 ppm), protein A molecules were adsorbed "side-on" parallel to the mica surfaces, forming a monolayer of approximately 2.5 nm. AFM images at higher concentrations (30 ppm, 100 ppm) showed protruding structures over the monolayer, which revealed that the adsorbed protein A molecules had one end oriented into the solution, with the remainder of each molecule adsorbed side-on to the mica surface. These extending ends of protein A overlapped each other and formed a "quasi-double layer" over the mica surface. These AFM images proved the existence of a monolayer of protein A molecules at low concentrations and a "quasi-double layer" with occasional protrusions at high concentrations, which were consistent with the adsorption mode observed in the force-distance curves. PMID:9449346