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Sample records for oxide surface structure

  1. Surface Structure of Aerobically Oxidized Diamond Nanocrystals

    Science.gov (United States)

    2014-10-27

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

  2. Surface and Core Electronic Structure of Oxidized Silicon Nanocrystals

    Directory of Open Access Journals (Sweden)

    Noor A. Nama

    2010-01-01

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

  3. Electronic structures near surfaces of perovskite type oxides

    International Nuclear Information System (INIS)

    Hara, Toru

    2005-01-01

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

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

    Science.gov (United States)

    McKee, Rodney A.; Walker, Frederick J.

    1995-01-01

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

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

    Science.gov (United States)

    McBriarty, Martin E.

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

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

    NARCIS (Netherlands)

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

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

  7. Dynamic and Impure Perovskite Structured Metal Oxide Surfaces

    DEFF Research Database (Denmark)

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

    2017-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1987-05-01

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

  9. Structure, Bonding and Surface Chemistry of Metal Oxide Nanoclusters

    Science.gov (United States)

    2015-06-23

    an electrospray ionization time-of-flight (ESI-TOF) mass spectrometer to the lab (PerSeptive Biosystems Mariner), which provides a different...with this Project Faculty: Professor Michael A. Duncan (one month summer salary) Prof. Heather Abbott -Lyons, summer visiting faculty and...Distribution approved for public release. 4. H. L. Abbott , A. D. Brathwaite and M. A. Duncan, "Infrared spectroscopy and structures of mass-selected

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

    International Nuclear Information System (INIS)

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

    2010-01-01

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

  11. Defects at oxide surfaces

    CERN Document Server

    Thornton, Geoff

    2015-01-01

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

  12. Structural and surface changes of cobalt modified manganese oxide during activation and ethanol steam reforming reaction

    Science.gov (United States)

    Gac, Wojciech; Greluk, Magdalena; Słowik, Grzegorz; Turczyniak-Surdacka, Sylwia

    2018-05-01

    Surface and structural changes of unmodified manganese and cobalt-manganese oxide during activation and ethanol steam reforming reaction conditions (ESR) were studied by means of X-ray diffraction, X-ray photoelectron spectroscopy, temperature-programmed reduction/oxidation (TPR/TPO) and transmission electron microscopy. It was shown that synthesis of cobalt manganese oxide by the redox precipitation method led to the formation of strongly dispersed cobalt ionic species within cryptomelane-based manganese oxide structure. Development of large cube-like MnO nanoparticles with spherical cobalt metallic crystallites decorated by manganese oxide on the high oxidation state and potassium species was observed during reduction. Cobalt manganese catalyst showed high initial activity and selectivity to H2 and CO2 in ethanol stem reforming reaction in the range of 390-480 °C. The drop of ethanol conversion and changes of selectivity with the time-on-stream were observed. An increase of reaction temperature led to intensification of deactivation phenomena. TEM studies evidenced coexistence of Co and CoOx nanoparticles formed under ethanol steam reforming conditions, partially covered by filamentous and encapsulating carbonaceous deposits.

  13. Structure and nano-mechanical characteristics of surface oxide layers on a metallic glass.

    Science.gov (United States)

    Caron, A; Qin, C L; Gu, L; González, S; Shluger, A; Fecht, H-J; Louzguine-Luzgin, D V; Inoue, A

    2011-03-04

    Owing to their low elastic moduli, high specific strength and excellent processing characteristics in the undercooled liquid state, metallic glasses are promising materials for applications in micromechanical systems. With miniaturization of metallic mechanical components down to the micrometer scale, the importance of a native oxide layer on a glass surface is increasing. In this work we use TEM and XPS to characterize the structure and properties of the native oxide layer grown on Ni(62)Nb(38) metallic glass and their evolution after annealing in air. The thickness of the oxide layer almost doubled after annealing. In both cases the oxide layer is amorphous and consists predominantly of Nb oxide. We investigate the friction behavior at low loads and in ambient conditions (i.e. at T = 295 K and 60% air humidity) of both as-cast and annealed samples by friction force microscopy. After annealing the friction coefficient is found to have significantly increased. We attribute this effect to the increase of the mechanical stability of the oxide layer upon annealing.

  14. Electronic structure and dynamics of ordered clusters with ME or RE ions on oxide surface

    Energy Technology Data Exchange (ETDEWEB)

    Kulagin, N.A., E-mail: nkulagin@bestnet.kharkov.u [Kharkiv National University for Radio Electronics, Avenue Shakespeare 6-48, 61045 Kharkiv (Ukraine)

    2011-03-15

    Selected data of ab initio simulation of the electronic structure and spectral properties of either cluster with ions of iron, rare earth or actinium group elements have been presented here. Appearance of doped Cr{sup +4} ions in oxides, Cu{sup +2} in HTSC, Nd{sup +2} in solids has been discussed. Analysis of experimental data for plasma created ordered structures of crystallites with size of about 10{sup -9} m on surface of separate oxides are given, too. Change in the spectroscopic properties of clusters and nano-structures on surface of strontium titanate crystals discussed shortly using the X-ray line spectroscopy experimental results. - Research highlights: External influence and variation of technology induce changes in valence of nl ions in compounds. Wave function of cluster presented as anti-symmetrical set of ions wave functions. The main equation describes the self-consistent field depending on state of all electrons of cluster. Level scheme of Cr{sup 4+} ions in octo- and tetra-site corresponds to doped oxides spectra after treatment. Plasma treatment effects in appearance of systems of unit crystallites with size of about 10{sup -6}-10{sup -9} m.

  15. Electronic structure and dynamics of ordered clusters with ME or RE ions on oxide surface

    International Nuclear Information System (INIS)

    Kulagin, N.A.

    2011-01-01

    Selected data of ab initio simulation of the electronic structure and spectral properties of either cluster with ions of iron, rare earth or actinium group elements have been presented here. Appearance of doped Cr +4 ions in oxides, Cu +2 in HTSC, Nd +2 in solids has been discussed. Analysis of experimental data for plasma created ordered structures of crystallites with size of about 10 -9 m on surface of separate oxides are given, too. Change in the spectroscopic properties of clusters and nano-structures on surface of strontium titanate crystals discussed shortly using the X-ray line spectroscopy experimental results. - Research highlights: → External influence and variation of technology induce changes in valence of nl ions in compounds. → Wave function of cluster presented as anti-symmetrical set of ions wave functions. → The main equation describes the self-consistent field depending on state of all electrons of cluster. → Level scheme of Cr 4+ ions in octo- and tetra-site corresponds to doped oxides spectra after treatment. → Plasma treatment effects in appearance of systems of unit crystallites with size of about 10 -6 -10 -9 m.

  16. Femtosecond laser surface structuring and oxidation of chromium thin coatings: Black chromium

    Energy Technology Data Exchange (ETDEWEB)

    Kotsedi, L., E-mail: Kotsedi@tlabs.ac.za [UNESCO-UNISA Africa Chair in Nanosciences-Nanotechnology, College of Graduate Studies, University of South Africa, Muckleneuk Ridge, P.O. Box 392, Pretoria (South Africa); Nanosciences African Network (NANOAFNET), iThemba LABS-National Research Foundation, 1 Old Faure Road, Somerset West 7129, P.O. Box 722, Somerset West, Western Cape (South Africa); Nuru, Z.Y. [UNESCO-UNISA Africa Chair in Nanosciences-Nanotechnology, College of Graduate Studies, University of South Africa, Muckleneuk Ridge, P.O. Box 392, Pretoria (South Africa); Nanosciences African Network (NANOAFNET), iThemba LABS-National Research Foundation, 1 Old Faure Road, Somerset West 7129, P.O. Box 722, Somerset West, Western Cape (South Africa); Mthunzi, P. [National Laser Centre, Council for Scientific and Industrial Research, 0001 Pretoria (South Africa); Muller, T.F.G. [University of the Western Cape, Physics Department, Bellville, 7535 Cape Town (South Africa); Eaton, S.M. [Physics Department, Politecnico di Milano, Piazza Leonardo Da Vinci, 32, 20133 Milano (Italy); Julies, B. [University of the Western Cape, Physics Department, Bellville, 7535 Cape Town (South Africa); Manikandan, E. [UNESCO-UNISA Africa Chair in Nanosciences-Nanotechnology, College of Graduate Studies, University of South Africa, Muckleneuk Ridge, P.O. Box 392, Pretoria (South Africa); Nanosciences African Network (NANOAFNET), iThemba LABS-National Research Foundation, 1 Old Faure Road, Somerset West 7129, P.O. Box 722, Somerset West, Western Cape (South Africa); Ramponi, R. [Physics Department, Politecnico di Milano, Piazza Leonardo Da Vinci, 32, 20133 Milano (Italy); Maaza, M. [UNESCO-UNISA Africa Chair in Nanosciences-Nanotechnology, College of Graduate Studies, University of South Africa, Muckleneuk Ridge, P.O. Box 392, Pretoria (South Africa); Nanosciences African Network (NANOAFNET), iThemba LABS-National Research Foundation, 1 Old Faure Road, Somerset West 7129, P.O. Box 722, Somerset West, Western Cape (South Africa)

    2014-12-01

    Highlights: • Oxidation of the chromium thin film to chromium oxide by femtosecond laser with a fundamental wavelength of 1064 nm. • Solar absorber from chromium oxide that low percentage reflectance. • Femtosecond laser oxidation, with a de-focused laser. • Chromium oxide formation by femtosecond laser in normal ambient. - Abstract: In view of their potential applications as selective solar absorbers, chromium coatings on float glass substrates were nano/micro structured by femtosecond laser in air. Raman and X-rays diffraction investigations confirmed the formation of an ultra-porous α-Cr{sub 2}O{sub 3} layer at the surface; higher is the input laser power, enhanced is the crystallinity of the α-Cr{sub 2}O{sub 3} layer. The α-Cr{sub 2}O{sub 3} layer with the Cr underneath it in addition to the photo-induced porosity acted as a classical ceramic–metal nano-composite making the reflectance to decrease significantly within the spectral range of 190–1100 nm. The average reflectance decreased from 70 to 2%.

  17. Linking interfacial chemistry of CO2 to surface structures of hydrated metal oxide nanoparticles: hematite.

    Science.gov (United States)

    Chernyshova, Irina V; Ponnurangam, Sathish; Somasundaran, Ponisseril

    2013-05-14

    A better understanding of interaction with dissolved CO2 is required to rationally design and model the (photo)catalytic and sorption processes on metal (hydr)oxide nanoparticles (NPs) in aqueous media. Using in situ FTIR spectroscopy, we address this problem for rhombohedral 38 nm hematite (α-Fe2O3) nanoparticles as a model. We not only resolve the structures of the adsorbed carbonate species, but also specify their adsorption sites and their location on the nanoparticle surface. The spectral relationships obtained present a basis for a new method of characterizing the microscopic structural and acid-base properties (related to individual adsorption sites) of hydrated metal (hydr)oxide NPs using atmospherically derived CO2 as a probe. Specifically, we distinguish two carbonate species suggesting two principally different adsorption mechanisms. One species, which is more weakly adsorbed, has an inner-sphere mononuclear monodentate structure which is formed by a conventional ligand-exchange mechanism. At natural levels of dissolved carbonate and pH from 3 to 11, this species is attached to the most acidic/reactive surface cations (surface states) associated with ferrihydrite-like surface defects. The second species, which is more strongly adsorbed, presents a mixed C and O coordination of bent CO2. This species uniquely recognizes the stoichiometric rhombohedral {104} facets in the NP texture. Like in gas phase, it is formed through the surface coordination of molecular CO2. We address how the adsorption sites hosting these two carbonate species are affected by the annealing and acid etching of the NPs. These results support the nanosize-induced phase transformation of hematite towards ferrihydrite under hydrous conditions, and additionally show that the process starts from the roughened areas of the facet intersections.

  18. Iron oxide surfaces

    Science.gov (United States)

    Parkinson, Gareth S.

    2016-03-01

    The current status of knowledge regarding the surfaces of the iron oxides, magnetite (Fe3O4), maghemite (γ-Fe2O3), haematite (α-Fe2O3), and wüstite (Fe1-xO) is reviewed. The paper starts with a summary of applications where iron oxide surfaces play a major role, including corrosion, catalysis, spintronics, magnetic nanoparticles (MNPs), biomedicine, photoelectrochemical water splitting and groundwater remediation. The bulk structure and properties are then briefly presented; each compound is based on a close-packed anion lattice, with a different distribution and oxidation state of the Fe cations in interstitial sites. The bulk defect chemistry is dominated by cation vacancies and interstitials (not oxygen vacancies) and this provides the context to understand iron oxide surfaces, which represent the front line in reduction and oxidation processes. Fe diffuses in and out from the bulk in response to the O2 chemical potential, forming sometimes complex intermediate phases at the surface. For example, α-Fe2O3 adopts Fe3O4-like surfaces in reducing conditions, and Fe3O4 adopts Fe1-xO-like structures in further reducing conditions still. It is argued that known bulk defect structures are an excellent starting point in building models for iron oxide surfaces. The atomic-scale structure of the low-index surfaces of iron oxides is the major focus of this review. Fe3O4 is the most studied iron oxide in surface science, primarily because its stability range corresponds nicely to the ultra-high vacuum environment. It is also an electrical conductor, which makes it straightforward to study with the most commonly used surface science methods such as photoemission spectroscopies (XPS, UPS) and scanning tunneling microscopy (STM). The impact of the surfaces on the measurement of bulk properties such as magnetism, the Verwey transition and the (predicted) half-metallicity is discussed. The best understood iron oxide surface at present is probably Fe3O4(100); the structure is

  19. Enhanced Sensitivity of Anti-Symmetrically Structured Surface Plasmon Resonance Sensors with Zinc Oxide Intermediate Layers

    Directory of Open Access Journals (Sweden)

    Nan-Fu Chiu

    2013-12-01

    Full Text Available We report a novel design wherein high-refractive-index zinc oxide (ZnO intermediary layers are used in anti-symmetrically structured surface plasmon resonance (SPR devices to enhance signal quality and improve the full width at half maximum (FWHM of the SPR reflectivity curve. The surface plasmon (SP modes of the ZnO intermediary layer were excited by irradiating both sides of the Au film, thus inducing a high electric field at the Au/ZnO interface. We demonstrated that an improvement in the ZnO (002 crystal orientation led to a decrease in the FWHM of the SPR reflectivity curves. We optimized the design of ZnO thin films using different parameters and performed analytical comparisons of the ZnO with conventional chromium (Cr and indium tin oxide (ITO intermediary layers. The present study is based on application of the Fresnel equation, which provides an explanation and verification for the observed narrow SPR reflectivity curve and optical transmittance spectra exhibited by (ZnO/Au, (Cr/Au, and (ITO/Au devices. On exposure to ethanol, the anti-symmetrically structured showed a huge electric field at the Au/ZnO interface and a 2-fold decrease in the FWHM value and a 1.3-fold larger shift in angle interrogation and a 4.5-fold high-sensitivity shift in intensity interrogation. The anti-symmetrically structured of ZnO intermediate layers exhibited a wider linearity range and much higher sensitivity. It also exhibited a good linear relationship between the incident angle and ethanol concentration in the tested range. Thus, we demonstrated a novel and simple method for fabricating high-sensitivity, high-resolution SPR biosensors that provide high accuracy and precision over relevant ranges of analyte measurement.

  20. Catalytic Activity and Stability of Oxides: The Role of Near-Surface Atomic Structures and Compositions.

    Science.gov (United States)

    Feng, Zhenxing; Hong, Wesley T; Fong, Dillon D; Lee, Yueh-Lin; Yacoby, Yizhak; Morgan, Dane; Shao-Horn, Yang

    2016-05-17

    Electrocatalysts play an important role in catalyzing the kinetics for oxygen reduction and oxygen evolution reactions for many air-based energy storage and conversion devices, such as metal-air batteries and fuel cells. Although noble metals have been extensively used as electrocatalysts, their limited natural abundance and high costs have motivated the search for more cost-effective catalysts. Oxides are suitable candidates since they are relatively inexpensive and have shown reasonably high activity for various electrochemical reactions. However, a lack of fundamental understanding of the reaction mechanisms has been a major hurdle toward improving electrocatalytic activity. Detailed studies of the oxide surface atomic structure and chemistry (e.g., cation migration) can provide much needed insights for the design of highly efficient and stable oxide electrocatalysts. In this Account, we focus on recent advances in characterizing strontium (Sr) cation segregation and enrichment near the surface of Sr-substituted perovskite oxides under different operating conditions (e.g., high temperature, applied potential), as well as their influence on the surface oxygen exchange kinetics at elevated temperatures. We contrast Sr segregation, which is associated with Sr redistribution in the crystal lattice near the surface, with Sr enrichment, which involves Sr redistribution via the formation of secondary phases. The newly developed coherent Bragg rod analysis (COBRA) and energy-modulated differential COBRA are uniquely powerful ways of providing information about surface and interfacial cation segregation at the atomic scale for these thin film electrocatalysts. In situ ambient pressure X-ray photoelectron spectroscopy (APXPS) studies under electrochemical operating conditions give additional insights into cation migration. Direct COBRA and APXPS evidence for surface Sr segregation was found for La1-xSrxCoO3-δ and (La1-ySry)2CoO4±δ/La1-xSrxCoO3-δ oxide thin films, and

  1. Catalytic Activity and Stability of Oxides: The Role of Near-Surface Atomic Structures and Compositions

    KAUST Repository

    Feng, Zhenxing

    2016-05-05

    Conspectus Electrocatalysts play an important role in catalyzing the kinetics for oxygen reduction and oxygen evolution reactions for many air-based energy storage and conversion devices, such as metal–air batteries and fuel cells. Although noble metals have been extensively used as electrocatalysts, their limited natural abundance and high costs have motivated the search for more cost-effective catalysts. Oxides are suitable candidates since they are relatively inexpensive and have shown reasonably high activity for various electrochemical reactions. However, a lack of fundamental understanding of the reaction mechanisms has been a major hurdle toward improving electrocatalytic activity. Detailed studies of the oxide surface atomic structure and chemistry (e.g., cation migration) can provide much needed insights for the design of highly efficient and stable oxide electrocatalysts. In this Account, we focus on recent advances in characterizing strontium (Sr) cation segregation and enrichment near the surface of Sr-substituted perovskite oxides under different operating conditions (e.g., high temperature, applied potential), as well as their influence on the surface oxygen exchange kinetics at elevated temperatures. We contrast Sr segregation, which is associated with Sr redistribution in the crystal lattice near the surface, with Sr enrichment, which involves Sr redistribution via the formation of secondary phases. The newly developed coherent Bragg rod analysis (COBRA) and energy-modulated differential COBRA are uniquely powerful ways of providing information about surface and interfacial cation segregation at the atomic scale for these thin film electrocatalysts. In situ ambient pressure X-ray photoelectron spectroscopy (APXPS) studies under electrochemical operating conditions give additional insights into cation migration. Direct COBRA and APXPS evidence for surface Sr segregation was found for La1–xSrxCoO3−δ and (La1–ySry)2CoO4±δ/La1–xSrxCoO3

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

    Science.gov (United States)

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

    2014-08-01

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

  3. Surface passivation function of indium-tin-oxide-based nanorod structural sensors

    International Nuclear Information System (INIS)

    Lin, Tzu-Shun; Lee, Ching-Ting; Lee, Hisn-Ying; Lin, Chih-Chien

    2012-01-01

    Employing self-shadowing traits of an oblique-angle electron-beam deposition system, various indium tin oxide (ITO) nanorod arrays were deposited on a silicon substrate and used as extended-gate field-effect-transistor (EGFET) pH sensors. The length and morphology of the deposited ITO nanorod arrays could be changed and controlled under different deposition conditions. The ITO nanorod structural EGFET pH sensors exhibited high sensing performances owing to the larger sensing surface area. The sensitivity of the pH sensors with 150-nm-length ITO nanorod arrays was 53.96 mV/pH. By using the photoelectrochemical treatment of the ITO nanorod arrays, the sensitivity of the pH sensors with 150-nm-length passivated ITO nanorod arrays was improved to 57.21 mV/pH.

  4. Laser-induced oxidation of titanium substrate: Analysis of the physicochemical structure of the surface and sub-surface layers

    Energy Technology Data Exchange (ETDEWEB)

    Antończak, Arkadiusz J., E-mail: arkadiusz.antonczak@pwr.edu.pl [Laser and Fiber Electronics Group, Faculty of Electrical Engineering, Wroclaw University of Technology, Wyb. Wyspianskiego 27, 50-370 Wroclaw (Poland); Skowroński, Łukasz; Trzcinski, Marek [Institute of Mathematics and Physics, University of Technology and Life Sciences, Kaliskiego 7, 85-789 Bydgoszcz (Poland); Kinzhybalo, Vasyl V. [Wroclaw Research Centre EIT+, Stabłowicka 147, 54-066 Wrocław (Poland); Institute of Low Temperature and Structure Research, Okólna 2, 50-422 Wrocław (Poland); Łazarek, Łukasz K.; Abramski, Krzysztof M. [Laser and Fiber Electronics Group, Faculty of Electrical Engineering, Wroclaw University of Technology, Wyb. Wyspianskiego 27, 50-370 Wroclaw (Poland)

    2015-01-15

    Highlights: • Chemical structure of the films induced by laser on titanium surface was analyzed. • It was shown that outer layer of this films consist of oxides doped with nitrogen. • The optical properties of the laser-induced oxynitride films were characterized. • We found that the films demonstrated significant absorption in the band of 300–580 nm. • The morphology of the layers as a function of the laser fluence was investigated. - Abstract: This paper presents the results of the analysis of the complex chemical structure of the layers made on titanium in the process of the heating of its surfaces in an atmospheric environment, by irradiating samples with a nanosecond-pulsed laser. The study was carried out for electroplated, high purity, polycrystalline titanium substrates using a Yb:glass fiber laser. All measurements were made for samples irradiated in a broad range of accumulated fluence, below the ablation threshold. It has been determined how the complex index of refraction of both the oxynitride layers and the substrate vary as a function of accumulated laser fluence. It was also shown that the top layer of the film produced on titanium, which is transparent, is not a pure TiO{sub 2} as had been supposed before. The XPS and XRD analyses confirmed the presence of nitrogen compounds and the existence of nonstoichiometric compounds. By sputtering of the sample's surface using an Ar{sup +} ion gun, the changes in the concentration of individual elements as a function of the layer's cross-section were determined. Lastly, an analysis of the surface morphology has also been carried out, explaining why the layers crack and exfoliate from their substrate.

  5. Bulk-surface relationship of an electronic structure for high-throughput screening of metal oxide catalysts

    International Nuclear Information System (INIS)

    Kweun, Joshua Minwoo; Li, Chenzhe; Zheng, Yongping; Cho, Maenghyo; Kim, Yoon Young; Cho, Kyeongjae

    2016-01-01

    Graphical abstract: - Highlights: • Bulk-surface relationship was predicted by the ligand field nature of metal oxides. • Antibonding and bonding d-bands occupancy clarified the bulk-surface relationship. • Different surface relaxations were explained by the bulk electronic structures. • Transition from the bulk to the surface state was simulated by oxygen adsorption. - Abstract: Designing metal-oxides consisting of earth-abundant elements has been a crucial issue to replace precious metal catalysts. To achieve efficient screening of metal-oxide catalysts via bulk descriptors rather than surface descriptors, we investigated the relationship between the electronic structure of bulk and that of the surface for lanthanum-based perovskite oxides, LaMO_3 (M = Ti, V, Cr, Mn, Fe, Co, Ni, Cu). Through density functional theory calculations, we examined the d-band occupancy of the bulk and surface transition-metal atoms (n_B_u_l_k and n_S_u_r_f) and the adsorption energy of an oxygen atom (E_a_d_s) on (001), (110), and (111) surfaces. For the (001) surface, we observed strong correlation between the n_B_u_l_k and n_S_u_r_f with an R-squared value over 94%, and the result was interpreted in terms of ligand field splitting and antibonding/bonding level splitting. Moreover, the E_a_d_s on the surfaces was highly correlated with the n_B_u_l_k with an R-squared value of more than 94%, and different surface relaxations could be explained by the bulk electronic structure (e.g., LaMnO_3 vs. LaTiO_3). These results suggest that a bulk-derived descriptor such as n_B_u_l_k can be used to screen metal-oxide catalysts.

  6. Morphology and electronic structure of the oxide shell on the surface of iron nanoparticles.

    Science.gov (United States)

    Wang, Chongmin; Baer, Donald R; Amonette, James E; Engelhard, Mark H; Antony, Jiji; Qiang, You

    2009-07-01

    An iron (Fe) nanoparticle exposed to air at room temperature will be instantly covered by an oxide shell that is typically approximately 3 nm thick. The nature of this native oxide shell, in combination with the underlying Fe(0) core, determines the physical and chemical behavior of the core-shell nanoparticle. One of the challenges of characterizing core-shell nanoparticles is determining the structure of the oxide shell, that is, whether it is FeO, Fe(3)O(4), gamma-Fe(2)O(3), alpha-Fe(2)O(3), or something else. The results of prior characterization efforts, which have mostly used X-ray diffraction and spectroscopy, electron diffraction, and transmission electron microscopic imaging, have been framed in terms of one of the known Fe-oxide structures, although it is not necessarily true that the thin layer of Fe oxide is a known Fe oxide. In this Article, we probe the structure of the oxide shell on Fe nanoparticles using electron energy loss spectroscopy (EELS) at the oxygen (O) K-edge with a spatial resolution of several nanometers (i.e., less than that of an individual particle). We studied two types of representative particles: small particles that are fully oxidized (no Fe(0) core) and larger core-shell particles that possess an Fe core. We found that O K-edge spectra collected for the oxide shell in nanoparticles show distinct differences from those of known Fe oxides. Typically, the prepeak of the spectra collected on both the core-shell and the fully oxidized particles is weaker than that collected on standard Fe(3)O(4). Given the fact that the origin of this prepeak corresponds to the transition of the O 1s electron to the unoccupied state of O 2p hybridized with Fe 3d, a weak pre-edge peak indicates a combination of the following four factors: a higher degree of occupancy of the Fe 3d orbital; a longer Fe-O bond length; a decreased covalency of the Fe-O bond; and a measure of cation vacancies. These results suggest that the coordination configuration in

  7. Surface structure-dependent pyrite oxidation in relatively dry and moist air: Implications for the reaction mechanism and sulfur evolution

    Science.gov (United States)

    Zhu, Jianxi; Xian, Haiyang; Lin, Xiaoju; Tang, Hongmei; Du, Runxiang; Yang, Yiping; Zhu, Runliang; Liang, Xiaoliang; Wei, Jingming; Teng, H. Henry; He, Hongping

    2018-05-01

    Pyrite oxidation not only is environmentally significant in the formation of acid mine (or acid rock) drainage and oxidative acidification of lacustrine sediment but also is a critical stage in geochemical sulfur evolution. The oxidation process is always controlled by the reactivity of pyrite, which in turn is controlled by its surface structure. In this study, the oxidation behavior of naturally existing {1 0 0}, {1 1 1}, and {2 1 0} facets of pyrite was investigated using a comprehensive approach combining X-ray photoelectron spectroscopy, diffuse reflectance Fourier transform infrared spectroscopy, and time-of-flight secondary-ion mass spectrometry with periodic density functional theoretical (DFT) calculations. The experimental results show that (i) the initial oxidation rates of both pyrite {1 1 1} and {2 1 0} are much greater than that of pyrite {1 0 0}; (ii) the initial oxidation rate of pyrite {2 1 0} is greater than that of pyrite {1 1 1} in low relative humidity, which is reversed in high relative humidity; and (iii) inner sphere oxygen-bearing sulfur species are originally generated from surface reactions and then converted to outer sphere species. The facet dependent rate law can be expressed as: r{hkl} =k{hkl}haP0.5(t + 1) - 0.5 , where r{hkl} is the orientation dependent reaction rate, k{hkl} is the orientation dependent rate constant, h is the relative humidity, P is the oxygen partial pressure, and t is the oxidation time in seconds. {1 1 1} is the most sensitive facet for pyrite oxidation. Combined with DFT theoretical investigations, water catalyzed electron transfer is speculated as the rate-limiting step. These findings disclose the structure-reactivity dependence of pyrite, which not only presents new insight into the mechanism of pyrite oxidation but also provides fundamental data to evaluate sulfur speciation evolution, suggesting that the surface structure sensitivity should be considered to estimate the reactivity at the mineral

  8. Solid Oxide Fuel Cell Cathodes. Unraveling the Relationship Between Structure, Surface Chemistry and Oxygen Reduction

    Energy Technology Data Exchange (ETDEWEB)

    Gopalan, Srikanth [Boston Univ., MA (United States)

    2013-03-31

    In this work we have considered oxygen reduction reaction on LSM and LSCF cathode materials. In particular we have used various spectroscopic techniques to explore the surface composition, transition metal oxidation state, and the bonding environment of oxygen to understand the changes that occur to the surface during the oxygen reduction process. In a parallel study we have employed patterned cathodes of both LSM and LSCF cathodes to extract transport and kinetic parameters associated with the oxygen reduction process.

  9. Laser direct writing of oxide structures on hydrogen-passivated silicon surfaces

    DEFF Research Database (Denmark)

    Müllenborn, Matthias; Birkelund, Karen; Grey, Francois

    1996-01-01

    on amorphous and crystalline silicon surfaces in order to determine the depassivation mechanism. The minimum linewidth achieved is about 450 nm using writing speeds of up to 100 mm/s. The process is fully compatible with local oxidation of silicon by scanning probe lithography. Wafer-scale patterns can...

  10. Small Punch Tests at Oxide Scales Surface of Structural Steel and Low Silicon Steel

    Czech Academy of Sciences Publication Activity Database

    Hrabovský, J.; Dobeš, Ferdinand; Horský, J.

    2014-01-01

    Roč. 82, 3-4 (2014), s. 297-310 ISSN 0030-770X Institutional support: RVO:68081723 Keywords : Small punch * Oxide scales * X-ray diffraction * Mechanical properties Subject RIV: JK - Corrosion ; Surface Treatment of Materials Impact factor: 1.140, year: 2014

  11. Measurement of the surface charge accumulation using anodic aluminum oxide(AAO) structure in an inductively coupled plasma

    Science.gov (United States)

    Park, Ji-Hwan; Oh, Seung-Ju; Lee, Hyo-Chang; Kim, Yu-Sin; Kim, Young-Cheol; Kim, June Young; Ha, Chang-Seoung; Kwon, Soon-Ho; Lee, Jung-Joong; Chung, Chin-Wook

    2014-10-01

    As the critical dimension of the nano-device shrinks, an undesired etch profile occurs during plasma etch process. One of the reasons is the local electric field due to the surface charge accumulation. To demonstrate the surface charge accumulation, an anodic aluminum oxide (AAO) membrane which has high aspect ratio is used. The potential difference between top electrode and bottom electrode in an anodic aluminum oxide contact structure is measured during inductively coupled plasma exposure. The voltage difference is changed with external discharge conditions, such as gas pressure, input power, and gas species and the result is analyzed with the measured plasma parameters.

  12. Morphology and phase structures of CW laser-induced oxide layers on iron surface with evolving reflectivity and colors

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Taotao, E-mail: wutaotao@nint.ac.cn; Wang, Lijun; Wei, Chenghua; Zhou, Menglian; He, Minbo; Wu, Lixiong

    2016-11-30

    Highlights: • Firstly, iron samples with different color features were obtained by continuous wave laser irradiation depending on progressive durations. The real-time reflectivity and temperature of samples were measured. The color and the reflectivity evolution were related. They were both caused by the forming oxide films. • Secondly, laser-induced oxidation process of iron was studied by microscope, X-ray diffraction and Raman spectrum. The first formed magnetite made the surface reflectivity decline rapidly and caused the “positive feedback” effect because of molecular absorption. The later formed hematite oscillated the reflectivity by interference effect. • Lastly, the laser-induced oxide films were thin, orientated and badly crystallized. The Wagner oxidation theory was incapable of describing the non-isothermal and early stage oxidation process. So we emphasized that a precise oxidation model depending on the experiment and the optical constants of the laser-induced oxides must be studied. - Abstract: Laser-induced oxidation will change the laser reflectivity and color features of metal surface. Both changes can be theoretically calculated based on the oxidation kinetics and the optical constants of oxides. For the purpose of calculation, the laser-induced oxidation process of pure polycrystalline iron was studied. Samples with various color features were obtained by continuous wave Nd:YAG fiber laser (1.06 μm) irradiation depending on progressive durations in the intensity of 1.90 W/cm{sup 2}. The real-time reflectivity and temperature were measured with integral sphere and thermocouples. The irradiated surface morphology and phase structures were characterized by microscope, X-ray diffraction and Raman spectrum. It was found that the first formed magnetite made the surface reflectivity decline rapidly and caused the “positive feedback” effect because of molecular absorption. The later formed hematite oscillated the reflectivity by

  13. Water resistant surfaces using zinc oxide structured nanorod arrays with switchable wetting property

    OpenAIRE

    Ennaceri, H.; Wang, L.; Erfurt, D.; Riedel, W.; Mangalgiri, G.; Khaldoun, A.; El Kenz, A.; Benyoussef, A.; Ennaoui, A

    2016-01-01

    This study presents an experimental approach for fabricating super hydrophobic coatings based on a dual roughness structure composed of zinc oxide nanorod arrays coated with a sputtered zinc oxide nano layer. The ZnO nanorod arrays were grown by means of a low temperature electrochemical deposition technique 75 C on FTO substrates. The ZnO nanorods show a 002 orientation along the c axis, and have a hexagonal structure, with an average length of 710 nm, and average width of 156 nm. On th...

  14. Catalytic Activity and Stability of Oxides: The Role of Near-Surface Atomic Structures and Compositions

    KAUST Repository

    Feng, Zhenxing; Hong, Wesley T.; Fong, Dillon D.; Lee, Yueh-Lin; Yacoby, Yizhak; Morgan, Dane; Shao-Horn, Yang

    2016-01-01

    electrochemical operating conditions give additional insights into cation migration. Direct COBRA and APXPS evidence for surface Sr segregation was found for La1–xSrxCoO3−δ and (La1–ySry)2CoO4±δ/La1–xSrxCoO3−δ oxide thin films, and the physical origin

  15. Plasma Electrolytic Oxidation of Titanium Implant Surfaces: Microgroove-Structures Improve Cellular Adhesion and Viability.

    Science.gov (United States)

    Hartjen, Philip; Hoffmann, Alexia; Henningsen, Anders; Barbeck, Mike; Kopp, Alexander; Kluwe, Lan; Precht, Clarissa; Quatela, Olivia; Gaudin, Robert; Heiland, Max; Friedrich, Reinhard E; Knipfer, Christian; Grubeanu, Daniel; Smeets, Ralf; Jung, Ole

    2018-01-01

    Plasma electrolytic oxidation (PEO) is an established electrochemical treatment technique that can be used for surface modifications of metal implants. In this study we to treated titanium implants with PEO, to examine the resulting microstructure and to characterize adhesion and viability of cells on the treated surfaces. Our aim was to identify an optimal surface-modification for titanium implants in order to improve soft-tissue integration. Three surface-variants were generated on titanium alloy Ti6Al4V by PEO-treatment. The elemental composition and the microstructures of the surfaces were characterized using energy dispersive X-ray spectroscopy, scanning electron microscopy and profilometry. In vitro cytocompatibility of the surfaces was assessed by seeding L929 fibroblasts onto them and measuring the adhesion, viability and cytotoxicity of cells by means of live/dead staining, XTT assay and LDH assay. Electron microscopy and profilometry revealed that the PEO-surface variants differed largely in microstructure/topography, porosity and roughness from the untreated control material as well as from one another. Roughness was generally increased after PEO-treatment. In vitro, PEO-treatment led to improved cellular adhesion and viability of cells accompanied by decreased cytotoxicity. PEO-treatment provides a promising strategy to improve the integration of titanium implants with surrounding tissues. Copyright© 2018, International Institute of Anticancer Research (Dr. George J. Delinasios), All rights reserved.

  16. Effects of concentration of Ag nanoparticles on surface structure and in vitro biological responses of oxide layer on pure titanium via plasma electrolytic oxidation

    Energy Technology Data Exchange (ETDEWEB)

    Shin, Ki Ryong; Kim, Yeon Sung; Kim, Gye Won [Department of Materials Science and Engineering, Hanyang University, Ansan 425-791 (Korea, Republic of); Yang, Hae Woong [School of Materials Science and Engineering, Yeungnam University, Gyeongsan 712-749 (Korea, Republic of); Ko, Young Gun, E-mail: younggun@ynu.ac.kr [School of Materials Science and Engineering, Yeungnam University, Gyeongsan 712-749 (Korea, Republic of); Shin, Dong Hyuk, E-mail: dhshin@hanyang.ac.kr [Department of Materials Science and Engineering, Hanyang University, Ansan 425-791 (Korea, Republic of)

    2015-08-30

    Highlights: • Ag nanoparticles were embedded into the oxide surface without any compositional changes. • Oxide layer from the electrolyte with 0.1 g/l Ag nanoparticles could disinfect all bacteria. • With increasing Ag nanoparticles, bone-forming ability and cell proliferation rate decrease. - Abstract: This study was to investigate how Ag nanoparticles with various concentrations affect the surface structure and in vitro biological properties of oxide layers on the pure titanium produced by a plasma electrolytic oxidation (PEO) process. For this aim, PEO processes were carried out at an AC current density of 100 mA/cm{sup 2} for 300 s in potassium pyrophosphate (K{sub 4}P{sub 2}O{sub 7}) electrolytes containing 0, 0.1, 0.3 and 0.5 g/l Ag nanoparticles. Structural investigations using scanning electron microscopy evidenced that the oxide layers showed the successful incorporation of Ag nanoparticles, and the topographical deformation of the porous surface was found when the concentration of Ag nanoparticles was more than 0.1 g/l. Based on the anti-bacterial activity of all oxide layers, the Ag nanoparticles uniformly spread were of considerable importance in triggering the disinfection of E. coli bacteria. The bone forming abilities and cell (MC3T3-E1) proliferation rates of oxide layers produced in electrolytes containing 0 and 0.1 g/l Ag nanoparticles were higher than those containing 0.3 and 0.5 g/l Ag nanoparticles. Consequently, the oxide layer on pure titanium via PEO process in the electrolyte with 0.1 g/l Ag nanoparticles exhibited better the bioactivity accompanying the anti-bacterial activity.

  17. Spinel-structured surface layers for facile Li ion transport and improved chemical stability of lithium manganese oxide spinel

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Hae Ri [Center for Energy Convergence Research, Korea Institute of Science Technology, Hwarang-ro 14-gil 5, Seongbuk-gu, Seoul 136-791 (Korea, Republic of); Department of Chemical and Biological Engineering, Korea University, 145, Anam-ro, Seongbuk-gu, Seoul 136-701 (Korea, Republic of); Seo, Hyo Ree; Lee, Boeun; Cho, Byung Won [Center for Energy Convergence Research, Korea Institute of Science Technology, Hwarang-ro 14-gil 5, Seongbuk-gu, Seoul 136-791 (Korea, Republic of); Lee, Kwan-Young [Department of Chemical and Biological Engineering, Korea University, 145, Anam-ro, Seongbuk-gu, Seoul 136-701 (Korea, Republic of); Oh, Si Hyoung, E-mail: sho74@kist.re.kr [Center for Energy Convergence Research, Korea Institute of Science Technology, Hwarang-ro 14-gil 5, Seongbuk-gu, Seoul 136-791 (Korea, Republic of)

    2017-01-15

    Graphical abstract: Strategically-designed spinel-structured nano-scale surface layer, LiM{sub x}Mn{sup IV}{sub 1−x}O{sub 4}, featuring a high Li{sup +} ion conductivity and a good chemical stability was applied on Al-doped LiMn{sub 2}O{sub 4} spinel for the drastic improvement of the electrochemical performance at the elevated temperature as a promising cathode material for lithium rechargeable batteries. - Highlights: • Spinel-structured surface layer with a high Li-ion conductivity and a good chemical stability was prepared. • Simple wet process was developed to apply nano-scale surface layer on aluminum doped lithium manganese oxide spinel. • The properties of nano-scale surface layer were characterized by analytical tools including GITT, HR-TEM and XAS. • Materials with surface coating layer exhibit an excellent electrochemical performance at the elevated temperature. - Abstract: Li-ion conducting spinel-structured oxide layer with a manganese oxidation state close to being tetravalent was prepared on aluminum-doped lithium manganese oxide spinel for improving the electrochemical performances at the elevated temperatures. This nanoscale surface layer provides a good ionic conduction path for lithium ion transport to the core and also serves as an excellent chemical barrier for protecting the high-capacity core material from manganese dissolution into the electrolyte. In this work, a simple wet process was employed to prepare thin LiAlMnO{sub 4} and LiMg{sub 0.5}Mn{sub 1.5}O{sub 4} layers on the surface of LiAl{sub 0.1}Mn{sub 1.9}O{sub 4}. X-ray absorption studies revealed an oxidation state close to tetravalent manganese on the surface layer of coated materials. Materials with these surface coating layers exhibited excellent capacity retentions superior to the bare material, without undermining the lithium ion transport characteristics and the high rate performances.

  18. On the structure and surface chemical composition of indium-tin oxide films prepared by long-throw magnetron sputtering

    International Nuclear Information System (INIS)

    Chuang, M.J.; Huang, H.F.; Wen, C.H.; Chu, A.K.

    2010-01-01

    Structures and surface chemical composition of indium tin oxide (ITO) thin films prepared by long-throw radio-frequency magnetron sputtering technique have been investigated. The ITO films were deposited on glass substrates using a 20 cm target-to-substrate distance in a pure argon sputtering environment. X-ray diffraction results showed that an increase in substrate temperature resulted in ITO structure evolution from amorphous to polycrystalline. Field-emission scanning electron microscopy micrographs suggested that the ITO films were free of bombardment of energetic particles since the microstructures of the films exhibited a smaller grain size and no sub-grain boundary could be observed. The surface composition of the ITO films was characterized by X-ray photoelectron spectroscopy (XPS). Oxygen atoms in both amorphous and crystalline ITO structures were observed from O 1 s XPS spectra. However, the peak of the oxygen atoms in amorphous ITO phase could only be found in samples prepared at low substrate temperatures. Its relative peak area decreased drastically when substrate temperatures were larger than 200 o C. In addition, a composition analysis from the XPS results revealed that the films deposited at low substrate temperatures contained high concentration of oxygen at the film surfaces. The oxygen-rich surfaces can be attributed to hydrolysis reactions of indium oxides, especially when large amount of the amorphous ITO were developed near the film surfaces.

  19. Effect of atomic layer deposition coatings on the surface structure of anodic aluminum oxide membranes.

    Science.gov (United States)

    Xiong, Guang; Elam, Jeffrey W; Feng, Hao; Han, Catherine Y; Wang, Hsien-Hau; Iton, Lennox E; Curtiss, Larry A; Pellin, Michael J; Kung, Mayfair; Kung, Harold; Stair, Peter C

    2005-07-28

    Anodic aluminum oxide (AAO) membranes were characterized by UV Raman and FT-IR spectroscopies before and after coating the entire surface (including the interior pore walls) of the AAO membranes by atomic layer deposition (ALD). UV Raman reveals the presence of aluminum oxalate in bulk AAO, both before and after ALD coating with Al2O3, because of acid anion incorporation during the anodization process used to produce AAO membranes. The aluminum oxalate in AAO exhibits remarkable thermal stability, not totally decomposing in air until exposed to a temperature >900 degrees C. ALD was used to cover the surface of AAO with either Al2O3 or TiO2. Uncoated AAO have FT-IR spectra with two separate types of OH stretches that can be assigned to isolated OH groups and hydrogen-bonded surface OH groups, respectively. In contrast, AAO surfaces coated by ALD with Al2O3 display a single, broad band of hydrogen-bonded OH groups. AAO substrates coated with TiO2 show a more complicated behavior. UV Raman results show that very thin TiO2 coatings (1 nm) are not stable upon annealing to 500 degrees C. In contrast, thicker coatings can totally cover the contaminated alumina surface and are stable at temperatures in excess of 500 degrees C.

  20. Structural and surface properties of highly ordered mesoporous magnesium-aluminium composite oxides derived from facile synthesis

    Energy Technology Data Exchange (ETDEWEB)

    Pan, Dahai, E-mail: pandahai@foxmail.com; Dong, Zhaoyang; He, Min; Chen, Wei; Chen, Shuwei; Yu, Feng; Fan, Binbin; Cui, Xingyu; Li, Ruifeng, E-mail: rfli@tyut.edu.cn

    2017-01-15

    Highly ordered mesoporous magnesium-aluminium composite oxides (denoted as OMMA-x) with a variety of n{sub Al}/n{sub Mg} ratios have been successfully synthesized via a facile strategy, and a salt effect was proposed to explain the formation mechanism. The incorporation of Mg can significantly improve the structural and surface properties of ordered mesoporous alumina (OMA) material. The resultant OMMA-x exhibited a much more ordered 2-D hexagonal mesostructure, a narrower pore size distribution, a higher specific surface area and pore volume, and a stronger basicity than those of OMA. More importantly, the highly homogeneous incorporation of Mg at the atomic level and the formation of framework Mg−O−Al bonds could effectively suppress the formation of crystalline alumina during the calcination process. As a result, OMMA-x demonstrated a superior thermal stability. For example, the ordered mesostructure of OMMA-8 could be well maintained with a high surface area of 182 m{sup 2}/g even after thermal treatment at 1000 °C. - Graphical abstract: A schematic procedure to illustrate the preparation of highly ordered mesoporous Mg-Al composite oxides (OMMA-x) with highly homogeneously dispersed Mg species and enhanced structural stability. - Highlights: • Mesoporous Mg-Al composite oxides with excellent structural and surface properties. • A highly homogeneous incorporation of Mg into the mesoporous framework of alumina. • A superior structural stability up to 1000 °C coupled with a large surface area. • A salt effect from the addition of Mg(NO{sub 3}){sub 2}·6H{sub 2}O to explain the formation mechanism.

  1. Atomic layer-by-layer oxidation of Ge (100) and (111) surfaces by plasma post oxidation of Al2O3/Ge structures

    International Nuclear Information System (INIS)

    Zhang, Rui; Huang, Po-Chin; Lin, Ju-Chin; Takenaka, Mitsuru; Takagi, Shinichi

    2013-01-01

    The ultrathin GeO x /Ge interfaces formed on Ge (100) and (111) surfaces by applying plasma post oxidation to thin Al 2 O 3 /Ge structures are characterized in detail using X-ray photoelectron spectroscopy (XPS) and transmission electron microscopy. It is found that the XPS signals assigned to Ge 1+ and the 2+ states in the GeO x layers by post plasma oxidation have oscillating behaviors on Ge (100) surfaces in a period of ∼0.3 nm with an increase in the GeO x thickness. Additionally, the oscillations of the signals assigned to Ge 1+ and 2+ states show opposite phase to each other. The similar oscillation behaviors are also confirmed on Ge (111) surfaces for Ge 1+ and 3+ states in a period of ∼0.5 nm. These phenomena can be strongly regarded as an evidence of the atomic layer-by-layer oxidation of GeO x /Ge interfaces on Ge (100) and (111) surfaces.

  2. Structure and surface morphology studies of cerium oxide system using XRD and SEM analysis

    International Nuclear Information System (INIS)

    Ahmad Jais Alimin; Farid Nasir Ani; Wan Azelee Wan Abu Bakar

    2000-01-01

    Conventional Precious Group Materials (PGM) catalyst systems have been using CeO 2 as an Oxygen Storage Capacity component in the catalyst washcoat. Due to the limitations of the PGM catalyst, researches are now focusing on improving or replacing this conventional system. In a previous work, the potential of a copper-ceria (Cu-Ce) oxide as a catalyst system has been identified. In this paper, the morphology and characterisation of Cu-Ce oxides analysed using XRD and SEM will be described. The Cu-Ce samples were prepared at a fixed ratio under temperatures of 400 o C and 800 o C. XRD diffractograms showed CeO 2 is in a cubic phase at 400 o C and 800 o C. At 800 o C, the CuO particle is visible, presumably has incorporated with the lattice structure of ceria, indicating an absent of solid state condition between copper and ceria. Analysis by SEM revealed significant increase in particle sizes with increasing calcination temperatures. (Author)

  3. Understanding of catalysis on early transition metal oxide-based catalysts through exploration of surface structure and chemistry during catalysis using in-situ approaches

    Energy Technology Data Exchange (ETDEWEB)

    Tao, Franklin [Univ. of Kansas, Lawrence, KS (United States). Dept. of Chemical and Petroleum Engineering. Dept. of Chemistry

    2015-09-14

    Two main categories of heterogeneous catalysts are metal and metal oxide which catalyze 80% chemical reactions at solid-gas and solid-liquid interfaces. Metal oxide catalysts are much more complicated than metal catalysts. The reason is that the cations of the metal atoms could exhibit a few different oxidation states on surface of the same catalyst particle such as Co3O4 or change of their oxidation states under different reactive environments. For a metal catalyst, there is only one oxidation state typically. In addition, surface of a metal oxide can be terminated with multiple surface functionalities including O atoms with different binding configurations and OH group. For metal, only metal atoms are exposed typically. Obviously, the complication of surface chemistry and structure of a metal oxide makes studies of surface of an oxide catalyst very challenging. Due to the complication of surface of a meal oxide, the electronic and geometric structures of surface of a metal oxide and the exposed species have received enormous attention since oxide catalysts catalyze at least 1/3 chemical reactions in chemical and energy industries. Understanding of catalytic reactions on early transition metal oxide-based catalysts is fundamentally intriguing and of great practical interest in energy- and environment-related catalysis. Exploration of surface chemistry of oxide-based catalysts at molecular level during catalysis has remained challenging though it is critical in deeply understanding catalysis on oxide-based catalysts and developing oxide-based catalysts with high activity and selectivity. Thus, the overall objective of this project is to explore surface chemistry and structure of early transition metal oxide-based catalysts through in-situ characterization of surface of catalysts, measurements of catalytic performances, and then build an intrinsic correlation of surface chemistry and structure with their catalytic performances in a few

  4. Effects of nanorod structure and conformation of fatty acid self-assembled layers on superhydrophobicity of zinc oxide surface.

    Science.gov (United States)

    Badre, Chantal; Dubot, P; Lincot, Daniel; Pauporte, Thierry; Turmine, Mireille

    2007-12-15

    Superhydrophobic surfaces have been prepared from nanostructured zinc oxide layers by a treatment with fatty acid molecules. The layers are electrochemically deposited from an oxygenated aqueous zinc chloride solution. The effects of the layer's structure, from a dense film to that of a nanorod array, as well as that of the properties of the fatty acid molecules based on C18 chains are described. A contact angle (CA) as high as 167 degrees is obtained with the nanorod structure and the linear saturated molecule (stearic acid). Lower values are found with molecules having an unsaturated bond on C9, in particular with a cis conformation (140 degrees ). These results, supplemented by infrared spectroscopy, indicate an enhancement of the sensitivity to the properties of the fatty acid molecules (conformation, flexibility, saturated or not) when moving from the flat surface to the nanostructured surface. This is attributed to a specific influence of the structure of the tops of the rods and lateral wall properties on the adsorption and organization of the molecules. CA measurements show a very good stability of the surface in time if stored in an environment protected from UV radiations.

  5. Adhesion and Atomic Structures of Gold on Ceria Nanostructures:The Role of Surface Structure and Oxidation State of Ceria Supports

    Energy Technology Data Exchange (ETDEWEB)

    Lin, Yuyuan [Northwestern University, Evanston; Wu, Zili [ORNL; Wen, Jianguo [Argonne National Laboratory (ANL); Poeppelmeier, Kenneth R [Northwestern University, Evanston; Marks, Laurence D [Northwestern University, Evanston

    2015-01-01

    Recent advances in heterogeneous catalysis have demonstrated that oxides supports with the same material but different shapes can result in metal catalysts with distinct catalytic properties. The shape-dependent catalysis was not well-understood owing to the lack of direct visualization of the atomic structures at metal-oxide interface. Herein, we utilized aberration-corrected electron microscopy and revealed the atomic structures of gold particles deposited on ceria nanocubes and nanorods with {100} or {111} facets exposed. For the ceria nanocube support, gold nanoparticles have extended atom layers at the metal-support interface. In contrast, regular gold nanoparticles and rafts are present on the ceria nanorod support. After hours of water gas shift reaction, the extended gold atom layers and rafts vanish, which is associated with the decrease of the catalytic activities. By understanding the atomic structures of the support surfaces, metal-support interfaces, and morphologies of the gold particles, a direct structure-property relationship is established.

  6. Influence of indium-tin oxide surface structure on the ordering and coverage of carboxylic acid and thiol monolayers

    International Nuclear Information System (INIS)

    Cerruti, Marta; Rhodes, Crissy; Losego, Mark; Efremenko, Alina; Maria, Jon-Paul; Fischer, Daniel; Franzen, Stefan; Genzer, Jan

    2007-01-01

    This paper analyses the variability of self-assembled monolayers (SAMs) formation on ITO depending on the substrate surface features. In particular, we report on the formation of carboxylic acid- and thiol-based SAMs on two lots of commercially prepared indium-tin oxide (ITO) thin films. Contact angle measurements, electrochemical experiments, and near-edge x-ray absorption fine structure (NEXAFS) spectroscopy showed that the quality of monolayers formed differed substantially between the two ITO batches. Only one of the two ITO substrates was capable of forming well-organized thiol- and carboxylic acid-based SAMs. In order to rationalize these observations, atomic force microscopy and x-ray diffraction analyses were carried out, and SAMs were prepared on ITO substrates fabricated by sputtering in our laboratories. An attempt was made to influence the film microstructure and surface morphology by varying substrate temperatures during ITO deposition. Good-quality thiol and carboxylic acid SAMs were obtained on one of the ITO substrates prepared in-house. While our characterization could not single out conclusively one specific parameter in ITO surface structure that could be responsible for good SAMs formation, we could point out homogeneous surface morphology as a relevant factor for the quality of the SAMs. Evidence was also found for ITO crystallographic orientation to be a parameter influencing SAMs organization

  7. Modulation of surface structure and catalytic properties of cerium oxide nanoparticles by thermal and microwave synthesis techniques

    Energy Technology Data Exchange (ETDEWEB)

    He, Jian [College of Pharmacy, Third Military Medical University, Chongqing 400038 (China); Zhou, Lan; Liu, Jie; Yang, Lu; Zou, Ling; Xiang, Junyu; Dong, Shiwu [School of Biomedical Engineering, Third Military Medical University, Chongqing 400038 (China); Yang, Xiaochao, E-mail: xcyang@tmmu.edu.cn [School of Biomedical Engineering, Third Military Medical University, Chongqing 400038 (China)

    2017-04-30

    Highlights: • The CNPs synthesized by microwave irradiation have more reactive hot spots than that synthesized by convective heating. • The CNPs synthesized by microwave irradiation exhibited higher SOD activity than that synthesized by convective heating. • The CNPs synthesized by microwave irradiation heating could better protect cells from oxidative stress. - Abstract: Cerium oxide nanoparticles (CNPs) have been intensively explored for biomedical applications in recent few years due to the versatile enzyme mimetic activities of the nanoparticles. However, the control of CNPs quality through the optimization of synthesis conditions remains largely unexplored as most of the previous studies only focus on utilizing the catalytic activities of the nanoparticles. In the present study, CNPs with size about 5 nm were synthesized by thermal decomposition method using traditional convective heating and recently developed microwave irradiation as heating source. The quality of CNPs synthesized by the two heating manner was evaluated. The CNPs synthesized by convective heating were slightly smaller than that synthesized by microwave irradiation heating. The cores of the CNPs synthesized by the two heating manner have similar crystal structure. While the surface subtle structures of the CNPs synthesized by two heating manner were different. The CNPs synthesized by microwave irradiation have more surface reactive hot spot than that synthesized by convective heating as the nanoparticles responded more actively to the redox environment variation. This difference resulted in the higher superoxide dismutase (SOD) mimetic activity of CNPs synthesized by microwave irradiation heating than that of the convective heating. Preliminary experiments indicated that the CNPs synthesized by microwave irradiation heating could better protect cells from oxidative stress due to the higher SOD mimetic activity of the nanoparticles.

  8. Modulation of surface structure and catalytic properties of cerium oxide nanoparticles by thermal and microwave synthesis techniques

    International Nuclear Information System (INIS)

    He, Jian; Zhou, Lan; Liu, Jie; Yang, Lu; Zou, Ling; Xiang, Junyu; Dong, Shiwu; Yang, Xiaochao

    2017-01-01

    Highlights: • The CNPs synthesized by microwave irradiation have more reactive hot spots than that synthesized by convective heating. • The CNPs synthesized by microwave irradiation exhibited higher SOD activity than that synthesized by convective heating. • The CNPs synthesized by microwave irradiation heating could better protect cells from oxidative stress. - Abstract: Cerium oxide nanoparticles (CNPs) have been intensively explored for biomedical applications in recent few years due to the versatile enzyme mimetic activities of the nanoparticles. However, the control of CNPs quality through the optimization of synthesis conditions remains largely unexplored as most of the previous studies only focus on utilizing the catalytic activities of the nanoparticles. In the present study, CNPs with size about 5 nm were synthesized by thermal decomposition method using traditional convective heating and recently developed microwave irradiation as heating source. The quality of CNPs synthesized by the two heating manner was evaluated. The CNPs synthesized by convective heating were slightly smaller than that synthesized by microwave irradiation heating. The cores of the CNPs synthesized by the two heating manner have similar crystal structure. While the surface subtle structures of the CNPs synthesized by two heating manner were different. The CNPs synthesized by microwave irradiation have more surface reactive hot spot than that synthesized by convective heating as the nanoparticles responded more actively to the redox environment variation. This difference resulted in the higher superoxide dismutase (SOD) mimetic activity of CNPs synthesized by microwave irradiation heating than that of the convective heating. Preliminary experiments indicated that the CNPs synthesized by microwave irradiation heating could better protect cells from oxidative stress due to the higher SOD mimetic activity of the nanoparticles.

  9. Bulk and Surface Structures of Palladium-Modified Copper-Zinc Oxides ex Hydroxycarbonate Precursors

    NARCIS (Netherlands)

    López Granados, M.; Melián-Cabrera, I.; Fierro, J.L.G.

    2002-01-01

    (Pd)-Cu-Zn ex hydroxycarbonate precursors were prepared and characterized by several bulk and surface techniques. A palladium-free Cu-Zn precursor (CZ) was prepared by coprecipitation. Two Pd-Cu-Zn samples were prepared by coprecipitation (PCZ-CP) and sequential precipitation (PCZ-SP). It is shown

  10. Femtosecond laser surface structuring and oxidation of chromium thin coatings: black chromium.

    CSIR Research Space (South Africa)

    Kotsedi, L

    2014-12-01

    Full Text Available -porous a-Cr(sub2)O(sub3) layer at the surface; higher is the input laser power, enhanced is the crystallinity of the a-Cr(sub2)O(sub3) layer. The a-Cr(sub2)O(sub3) layer with the Cr underneath it in addition to the photo-induced porosity acted as a...

  11. Surface Chemistry and Spectroscopy of Chromium in Inorganic Oxides

    NARCIS (Netherlands)

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

    1996-01-01

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

  12. Atomic profile imaging of ceramic oxide surfaces

    International Nuclear Information System (INIS)

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

    1989-01-01

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

  13. The Interface Structure of High-Temperature Oxidation-Resistant Aluminum-Based Coatings on Titanium Billet Surface

    Science.gov (United States)

    Xu, Zhefeng; Rong, Ju; Yu, Xiaohua; Kun, Meng; Zhan, Zhaolin; Wang, Xiao; Zhang, Yannan

    2017-10-01

    A new type of high-temperature oxidation-resistant aluminum-based coating, on a titanium billet surface, was fabricated by the cold spray method, at a high temperature of 1050°C, for 8 h, under atmospheric pressure. The microstructure of the exposed surface was analyzed via optical microscopy, the microstructure of the coating and elemental diffusion was analyzed via field emission scanning electron microscopy, and the interfacial phases were identified via x-ray diffraction. The Ti-Al binary phase diagram and Gibbs free energy of the stable phase were calculated by Thermo-calc. The results revealed that good oxidation resistant 50-μm-thick coatings were successfully obtained after 8 h at 1050°C. Two layers were obtained after the coating process: an Al2O3 oxidation layer and a TiAl3 transition layer on the Ti-based substrate. The large and brittle Al2O3 grains on the surface, which can be easily spalled off from the surface after thermal processing, protected the substrate against oxidation during processing. In addition, the thermodynamic calculation results were in good agreement with the experimental data.

  14. Morphology and grain structure evolution during epitaxial growth of Ag films on native-oxide-covered Si surface

    International Nuclear Information System (INIS)

    Hur, Tae-Bong; Kim, Hong Koo; Perello, David; Yun, Minhee; Kulovits, Andreas; Wiezorek, Joerg

    2008-01-01

    Epitaxial nanocrystalline Ag films were grown on initially native-oxide-covered Si(001) substrates using radio-frequency magnetron sputtering. Mechanisms of grain growth and morphology evolution were investigated. An epitaxially oriented Ag layer (∼5 nm thick) formed on the oxide-desorbed Si surface during the initial growth phase. After a period of growth instability, characterized as kinetic roughening, grain growth stagnation, and increase of step-edge density, a layer of nanocrystalline Ag grains with a uniform size distribution appeared on the quasi-two-dimensional layer. This hierarchical process of film formation is attributed to the dynamic interplay between incoming energetic Ag particles and native oxide. The cyclic interaction (desorption and migration) of the oxide with the growing Ag film is found to play a crucial role in the characteristic evolution of grain growth and morphology change involving an interval of grain growth stagnation

  15. Electronic Structure of the Perylene / Zinc Oxide Interface: A Computational Study of Photoinduced Electron Transfer and Impact of Surface Defects

    KAUST Repository

    Li, Jingrui

    2015-07-29

    The electronic properties of dye-sensitized semiconductor surfaces consisting of pery- lene chromophores chemisorbed on zinc oxide via different spacer-anchor groups, have been studied at the density-functional-theory level. The energy distributions of the donor states and the rates of photoinduced electron transfer from dye to surface are predicted. We evaluate in particular the impact of saturated versus unsaturated aliphatic spacer groups inserted between the perylene chromophore and the semiconductor as well as the influence of surface defects on the electron-injection rates.

  16. Electronic Structure of the Perylene / Zinc Oxide Interface: A Computational Study of Photoinduced Electron Transfer and Impact of Surface Defects

    KAUST Repository

    Li, Jingrui; Li, Hong; Winget, Paul; Bredas, Jean-Luc

    2015-01-01

    The electronic properties of dye-sensitized semiconductor surfaces consisting of pery- lene chromophores chemisorbed on zinc oxide via different spacer-anchor groups, have been studied at the density-functional-theory level. The energy distributions of the donor states and the rates of photoinduced electron transfer from dye to surface are predicted. We evaluate in particular the impact of saturated versus unsaturated aliphatic spacer groups inserted between the perylene chromophore and the semiconductor as well as the influence of surface defects on the electron-injection rates.

  17. Trimethylamine-N-oxide: its hydration structure, surface activity, and biological function, viewed by vibrational spectroscopy and molecular dynamics simulations.

    Science.gov (United States)

    Ohto, Tatsuhiko; Hunger, Johannes; Backus, Ellen H G; Mizukami, Wataru; Bonn, Mischa; Nagata, Yuki

    2017-03-08

    The osmolyte molecule trimethylamine-N-oxide (TMAO) stabilizes the structure of proteins. As functional proteins are generally found in aqueous solutions, an important aspect of this stabilization is the interaction of TMAO with water. Here, we review, using vibrational spectroscopy and molecular dynamics simulations, recent studies on the structure and dynamics of TMAO with its surrounding water molecules. This article ends with an outlook on the open questions on TMAO-protein and TMAO-urea interactions in aqueous environments.

  18. Self-assembled manganese oxide structures through direct oxidation

    KAUST Repository

    Zhao, Chao; Wang, Qingxiao; Yang, Yang; Zhang, Bei; Zhang, Xixiang

    2012-01-01

    The morphology and phase of self-assembled manganese oxides during different stages of thermal oxidation were studied. Very interesting morphological patterns of Mn oxide films were observed. At the initial oxidation stage, the surface was characterized by the formation of ring-shaped patterns. As the oxidation proceeded to the intermediate stage, concentric plates formed to relax the compressive stress. Our experimental results gave a clear picture of the evolution of the structures. We also examined the properties of the structures. © 2012 Elsevier B.V.

  19. Self-assembled manganese oxide structures through direct oxidation

    KAUST Repository

    Zhao, Chao

    2012-12-01

    The morphology and phase of self-assembled manganese oxides during different stages of thermal oxidation were studied. Very interesting morphological patterns of Mn oxide films were observed. At the initial oxidation stage, the surface was characterized by the formation of ring-shaped patterns. As the oxidation proceeded to the intermediate stage, concentric plates formed to relax the compressive stress. Our experimental results gave a clear picture of the evolution of the structures. We also examined the properties of the structures. © 2012 Elsevier B.V.

  20. Structural and spectroscopic characterisations of the surface oxide scales and inclusions present on edge-burst hot-rolled steel coils

    International Nuclear Information System (INIS)

    Chowdhury, Anirban; Iyyappan, Ramasamy; Majumdar, Dipanwita; Singha, Achintya

    2014-01-01

    Detailed structural and spectroscopic characterisations have been carried out on the inclusions and the surface oxides present on edge-burst hot-rolled steel coils. Surface scales were characterised through X-ray diffraction (XRD), scanning electron microscopy (SEM) and Raman spectroscopy. Evidence of different types of regular and non-stoichiometric Fe-oxides was found on the cracked surface of the steel wire. Along with the surface scales inclusions with calcium aluminate and spinel was characterized using Raman spectroscopy. The usefulness of Raman spectroscopy has been explored in detail for the characterisation of these inclusions; especially when XRD information ceases to be a limiting tool. The samples collected from the clogged nozzle area were found to be of grossite (CaO·2Al 2 O 3 ) phase and this was also observed in the inclusions in the finished coils. It was found that this particular calcium aluminate phase has a detrimental effect on casting and final finished steel products. - Highlights: • First investigation and surface study report on edge-bursting issue of steel coils. • Detailed characterisations of the inclusions and surface oxide scales in steel. • Influence of a particular type of calcium aluminate phase on process chemistry

  1. Effects of synthesis conditions on structure and surface properties of SmMn{sub 2}O{sub 5} mullite-type oxide

    Energy Technology Data Exchange (ETDEWEB)

    Thampy, Sampreetha; Ibarra, Venessa; Lee, Yun-Ju [Department of Materials Science and Engineering, University of Texas at Dallas, Richardson, TX 75080 (United States); McCool, Geoffrey [Nanostellar Inc., 3696 Haven Avenue, Redwood City, CA 94063 (United States); Cho, Kyeongjae [Department of Materials Science and Engineering, University of Texas at Dallas, Richardson, TX 75080 (United States); Hsu, Julia W.P., E-mail: jwhsu@utdallas.edu [Department of Materials Science and Engineering, University of Texas at Dallas, Richardson, TX 75080 (United States)

    2016-11-01

    Highlights: • Investigate the effects of calcination temperature and precipitation pH on crystallinity, phase purity, particle size, surface composition, and NO adsorption capacity of SmMn{sub 2}O{sub 5}. • High calcination temperature increases mullite phase purity but decreases specific surface area (SSA). • Mullite phase purity is independent of pH while SSA monotonically increases. • SSA and surface Mn/Sm ratio determine NO uptake. - Abstract: A mixed-phase compound that contains SmMn{sub 2}O{sub 5} mullite-type oxides has been reported to display excellent catalytic activity for nitric oxide (NO) oxidation. Here we investigate the effects of calcination temperature and precipitation pH on structural, physical, chemical, and surface properties of SmMn{sub 2}O{sub 5}. As the calcination temperature increases from 750 °C to 1000 °C, mullite phase purity increases from 74% to 100%, while specific surface area (SSA) decreases from 23.6 m{sup 2}/g to 5.1 m{sup 2}/g with particle size increases correspondingly. Mullite phase purity (87%) is independent of pH between 8.5–10.4, whereas SSA monotonically increases from 12.5 m{sup 2}/g at pH 8.1 to 27.4 m{sup 2}/g at pH 13. X-ray photoelectron spectroscopy (XPS) studies reveal that the surface Mn/Sm ratio is similar to the bulk value and is unaffected by calcination temperature and pH values up to 10.4, whereas sample precipitated at pH 13 is surface-rich in Sm. NO chemisorption studies show that the SSA and surface Mn/Sm ratio determine NO uptake by SmMn{sub 2}O{sub 5} mullite oxides.

  2. Hydrous ferric oxide: evaluation of Cd-HFO surface complexation models combining Cd(K) EXAFS data, potentiometric titration results, and surface site structures identified from mineralogical knowledge.

    Science.gov (United States)

    Spadini, Lorenzo; Schindler, Paul W; Charlet, Laurent; Manceau, Alain; Vala Ragnarsdottir, K

    2003-10-01

    The surface properties of ferrihydrite were studied by combining wet chemical data, Cd(K) EXAFS data, and a surface structure and protonation model of the ferrihydrite surface. Acid-base titration experiments and Cd(II)-ferrihydrite sorption experiments were performed within 3titration data could be adequately modeled by triple bond Fe- OH(2)(+1/2)-H(+)triple bond Fe-OH(-1/2),logk((int))=-8.29, assuming the existence of a unique intrinsic microscopic constant, logk((int)), and consequently the existence of a single significant type of acid-base reactive functional groups. The surface structure model indicates that these groups are terminal water groups. The Cd(II) data were modeled assuming the existence of a single reactive site. The model fits the data set at low Cd(II) concentration and up to 50% surface coverage. At high coverage more Cd(II) ions than predicted are adsorbed, which is indicative of the existence of a second type of site of lower affinity. This agrees with the surface structure and protonation model developed, which indicates comparable concentrations of high- and low-affinity sites. The model further shows that for each class of low- and high-affinity sites there exists a variety of corresponding Cd surface complex structure, depending on the model crystal faces on which the complexes develop. Generally, high-affinity surface structures have surface coordinations of 3 and 4, as compared to 1 and 2 for low-affinity surface structures.

  3. Nanoscale Structural/Chemical Characterization of Manganese Oxide Surface Layers and Nanoparticles, and the Associated Implications for Drinking Water

    Science.gov (United States)

    Michel Eduardo Vargas Vallejo

    Water treatment facilities commonly reduce soluble contaminants, such as soluble manganese (Mn2+), in water by oxidation and subsequent filtration. Previous studies have shown that conventional porous filter system removes Mn2+ from drinking water by developing Mn-oxides (MnO x(s)) bearing coating layers on the surface of filter media. Multiple models have been developed to explain this Mn2+ removal process and the formation mechanism of MnOx(s) coatings. Both, experimental and theoretical studies to date have been largely focused on the micrometer to millimeter scale range; whereas, coating layers are composed of nanoscale particles and films. Hence, understanding the nanoscale particle and film formation mechanisms is essential to comprehend the complexity of soluble contaminant removal processes. The primary objective of this study was to understand the initial MnOx(s) coating formation mechanisms and evaluate the influence of filter media characteristics on these processes. We pursued this objective by characterizing at the micro and nanoscale MnO x(s) coatings developed on different filter media by bench-scale column tests with simulating inorganic aqueous chemistry of a typical coagulation fresh water treatment plant, where free chlorine is present across filter bed. Analytical SEM and TEM, powder and synchrotron-based XRD, XPS, and ICPMS were used for characterization of coatings, filter media and water solution elemental chemistry. A secondary objective was to model how surface coating formation occurred and its correlation with experimentally observed physical characteristics. This modeling exercise indicates that surface roughness and morphology of filtering media are the major contributing factors in surface coating formation process. Contrary to previous models that assumed a uniform distribution and growth of surface coating, the experimental results showed that greater amounts of coating were developed in rougher areas. At the very early stage of

  4. Effect of the chemistry and structure of the native oxide surface film on the corrosion properties of commercial AZ31 and AZ61 alloys

    Energy Technology Data Exchange (ETDEWEB)

    Feliu, Sebastian, E-mail: sfeliu@cenim.csic.es [Centro Nacional de Investigaciones Metalurgicas CSIC, Avda. Gregorio del Amo 8, 28040 Madrid (Spain); Maffiotte, C. [CIEMAT-DT edificio 30, Avda. Complutense, 22, 28040 Madrid (Spain); Samaniego, A.; Galvan, Juan Carlos [Centro Nacional de Investigaciones Metalurgicas CSIC, Avda. Gregorio del Amo 8, 28040 Madrid (Spain); Barranco, Violeta [Centro Nacional de Investigaciones Metalurgicas CSIC, Avda. Gregorio del Amo 8, 28040 Madrid (Spain); Instituto de Ciencias de Materiales de Madrid, ICMM, Consejo Superior de Investigaciones Cientificas, CSIC, Sor Juana Ines de la Cruz, 3, Cantoblanco, 28049, Madrid (Spain)

    2011-08-01

    The purpose of this study has been to advance in knowledge of the chemical composition, structure and thickness of the thin native oxide film formed spontaneously in contact with the laboratory atmosphere on the surface of freshly polished commercial AZ31 and AZ61 alloys with a view to furthering the understanding of protection mechanisms. For comparative purposes, and to more fully describe the behaviour of the native oxide film, the external oxide films formed as a result of the manufacturing process (as-received condition) have been characterised. The technique applied in this research to study the thin oxide films (thickness of just a few nanometres) present on the surface of the alloys has basically been XPS (X-ray photoelectron spectroscopy) in combination with ion sputtering. Corrosion properties of the alloys were studied in 0.6 M NaCl by measuring charge transfer resistance values, which are deduced from EIS (electrochemical impedance spectroscopy) measurements after 1 h of exposure. Alloy AZ61 generally showed better corrosion resistance than AZ31, and the freshly polished alloys showed better corrosion resistance than the alloys in as-received condition. This is attributed to a combination of (1) higher thickness of the native oxide film on the AZ61 alloy and (2) greater uniformity of the oxide film in the polished condition. The formation of an additional oxide layer composed by a mixture of spinel (MgAl{sub 2}O{sub 4}) and MgO seems to diminish the protective properties of the passive layer on the surface of the alloys in as-received condition.

  5. Effect of the chemistry and structure of the native oxide surface film on the corrosion properties of commercial AZ31 and AZ61 alloys

    International Nuclear Information System (INIS)

    Feliu, Sebastian; Maffiotte, C.; Samaniego, A.; Galvan, Juan Carlos; Barranco, Violeta

    2011-01-01

    The purpose of this study has been to advance in knowledge of the chemical composition, structure and thickness of the thin native oxide film formed spontaneously in contact with the laboratory atmosphere on the surface of freshly polished commercial AZ31 and AZ61 alloys with a view to furthering the understanding of protection mechanisms. For comparative purposes, and to more fully describe the behaviour of the native oxide film, the external oxide films formed as a result of the manufacturing process (as-received condition) have been characterised. The technique applied in this research to study the thin oxide films (thickness of just a few nanometres) present on the surface of the alloys has basically been XPS (X-ray photoelectron spectroscopy) in combination with ion sputtering. Corrosion properties of the alloys were studied in 0.6 M NaCl by measuring charge transfer resistance values, which are deduced from EIS (electrochemical impedance spectroscopy) measurements after 1 h of exposure. Alloy AZ61 generally showed better corrosion resistance than AZ31, and the freshly polished alloys showed better corrosion resistance than the alloys in as-received condition. This is attributed to a combination of (1) higher thickness of the native oxide film on the AZ61 alloy and (2) greater uniformity of the oxide film in the polished condition. The formation of an additional oxide layer composed by a mixture of spinel (MgAl 2 O 4 ) and MgO seems to diminish the protective properties of the passive layer on the surface of the alloys in as-received condition.

  6. Impact on electronic structure of donor/acceptor blend in organic photovoltaics by decontamination of molybdenum-oxide surface

    Science.gov (United States)

    Ito, Yuta; Akaike, Kouki; Fukuda, Takeshi; Sato, Daisuke; Fuse, Takuya; Iwahashi, Takashi; Ouchi, Yukio; Kanai, Kaname

    2018-05-01

    Molybdenum oxide (MoOx) is widely used as the hole-transport layer in bulk-heterojunction organic photovoltaics (BHJ-OPVs). During the fabrication of solution-processed BHJ-OPVs on vacuum-deposited MoOx film, the film must be exposed to N2 atmosphere in a glove box, where the donor/acceptor blends are spin-coated from a mixed solution. Employing photoelectron spectroscopy, we reveal that the exposure of the MoOx film to such atmosphere contaminates the MoOx surface. Annealing the contaminated MoOx film at 160 °C for 5 min, prior to spin-coating the blend film, can partially remove the carbon and oxygen adsorbed on the MoOx surface during the exposure of MoOx. However, the contamination layer on the MoOx surface does not affect the energy-level alignment at the interface between MoOx and the donor/acceptor blend. Hence, significant improvement in the performance of BHJ-OPVs by mildly annealing the MoOx layer, which was previously reported, can be explained by the reduction of undesired contamination.

  7. Solvothermal growth of a ruthenium metal-organic framework featuring HKUST-1 structure type as thin films on oxide surfaces.

    Science.gov (United States)

    Kozachuk, Olesia; Yusenko, Kirill; Noei, Heshmat; Wang, Yuemin; Walleck, Stephan; Glaser, Thorsten; Fischer, Roland A

    2011-08-14

    Phase-pure crystalline thin films of a mixed-valence Ru(2)(II,III) metal-organic framework with 1,3,5-benzenetricarboxylate (btc) as a linker were solvothermally grown on amorphous alumina and silica surfaces. Based on the Rietveld refinement, the structure of Ru-MOF was assigned to be analogous to [Cu(3)(btc)(2)] (HKUST-1). This journal is © The Royal Society of Chemistry 2011

  8. Investigation of 'surface donors' in Al2O3/AlGaN/GaN metal-oxide-semiconductor heterostructures: Correlation of electrical, structural, and chemical properties

    Science.gov (United States)

    Ťapajna, M.; Stoklas, R.; Gregušová, D.; Gucmann, F.; Hušeková, K.; Haščík, Š.; Fröhlich, K.; Tóth, L.; Pécz, B.; Brunner, F.; Kuzmík, J.

    2017-12-01

    III-N surface polarization compensating charge referred here to as 'surface donors' (SD) was analyzed in Al2O3/AlGaN/GaN metal-oxide-semiconductor (MOS) heterojunctions using scaled oxide films grown by metal-organic chemical vapor deposition at 600 °C. We systematically investigated impact of HCl pre-treatment prior to oxide deposition and post-deposition annealing (PDA) at 700 °C. SD density was reduced down to 1.9 × 1013 cm-2 by skipping HCl pre-treatment step as compared to 3.3 × 1013 cm-2 for structures with HCl pre-treatment followed by PDA. The nature and origin of SD was then analyzed based on the correlation between electrical, micro-structural, and chemical properties of the Al2O3/GaN interfaces with different SD density (NSD). From the comparison between distributions of interface traps of MOS heterojunction with different NSD, it is demonstrated that SD cannot be attributed to interface trapped charge. Instead, variation in the integrity of the GaOx interlayer confirmed by X-ray photoelectron spectroscopy is well correlated with NSD, indicating SD may be formed by border traps at the Al2O3/GaOx interface.

  9. Structural changes during oxidation of Au(110)

    International Nuclear Information System (INIS)

    Hale, P.; Thurgate, S.; Wilkie, P.; Parker, A.J.

    2000-01-01

    Full text: We have constructed an Ultra High vacuum (UHV) system interfaced to an electro-chemical cell. The UHV system is equipped with Low Energy Electron Diffraction (LEED) and X-ray Photoelectron Spectroscopy (XPS). We have used these techniques to examine the oxidation of the Au(110) surface. The gold (110) single crystal exhibits a (2x1) surface structure when clean, but when immersed in 0.01 M HCIO 4 under potential control, the structure has been found to change. Throughout the double layer region the structure remains as (2x1) but when the potential is increased above 0.9-1.0V vs Ag/AgCI, (the pre-oxidation region) the surface structure changes to a centred rectangular structure found to represent a c(2x2) over-layer. This structure is fairly stable and reproducible. After the initial oxidation the structure prevails until 1.2-1.3V whereupon oxidation occurs on a larger scale and the surface structure becomes (1x1). These structures return to (2x1) after the reduction of the oxide, proving that the structural changes are reversible. XPS of these regions has shown a difference in the chemical state of the oxygen. Adsorbed perchlorate ion is initially the only oxygen component but as the potential increases the peak shifts into the hydroxide region and finally it splits into a hydroxide peak and a metal oxide peak. This study indicates a new way of looking at the structure and composition of the gold surface and provides insight into the nature of the interaction between the surface and the solution

  10. Surface electronic structure-catalytic activity correlation of partially reduced molybdenum oxide(s) for the isomerization of light alkenes and alkanes

    International Nuclear Information System (INIS)

    Al-Kandari, S; Al-Kandari, H; Al-Kharafi, F; Katrib, A

    2008-01-01

    Catalytic activity-surface electronic structure correlation was carried out using surface XPS-UPS techniques. In situ reduction by hydrogen, were carried out at similar experimental conditions to those employed for the catalytic reactions. In the case of MoO 3 deposited on TiO 2 , the reduction to MoO 2 state with the bifunctional MoO 2 (H x ) ac phase on its surface starts at 573 K and reaches a stable state at temperatures between 653-673 K. In the case of alumina support, a strong metal-support interaction takes place during the catalyst preparation, leading to Al 2 (MoO 4 ) 3 complex formation as characterized by XRD. The reduction process(s) of this complex by hydrogen as a function of temperature is different from what is observed in the case of titania support. The changes in the chemical structure of the sample surface in both systems were tested for the catalytic reactions of 1-pentene and n-pentane

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-11-15

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

  12. Significance of porous structure on degradatin of 2 2' dichloro diethyl sulphide and 2 chloroethyl ethyl sulphide on the surface of vanadium oxide nanostructure

    International Nuclear Information System (INIS)

    Singh, Beer; Mahato, T.H.; Srivastava, A.K.; Prasad, G.K.; Ganesan, K.; Vijayaraghavan, R.; Jain, Rajeev

    2011-01-01

    Degradation of the king of chemical warfare agent, 2 2' dichloro diethyl sulphide (HD), and its simulant 2 chloroethyl ethyl sulphide (CEES) were investigated on the surface of porous vanadium oxide nanotubes at room temperature (30 ± 2 ° C ). Reaction kinetics was monitored by GC-FID technique and the reaction products were characterized by GC-MS. Data indicates that HD degraded faster relative to CEES inside the solid decontaminant compared to the reported liquid phase degradation of CEES and HD. Data explores the role of hydrolysis, elimination and oxidation reactions in the detoxification of HD and CEES and the first order rate constant and t 1/2 were calculated to be 0.026 h -1 , 26.6 h for CEES and 0.052 h -1 , 13.24 h for HD. In this report faster degradation of HD compared to CEES was explained on the basis of porous structure.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-07-28

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

  14. N-doped structures and surface functional groups of reduced graphene oxide and their effect on the electrochemical performance of supercapacitor with organic electrolyte

    Science.gov (United States)

    Li, Shin-Ming; Yang, Shin-Yi; Wang, Yu-Sheng; Tsai, Hsiu-Ping; Tien, Hsi-Wen; Hsiao, Sheng-Tsung; Liao, Wei-Hao; Chang, Chien-Liang; Ma, Chen-Chi M.; Hu, Chi-Chang

    2015-03-01

    Nitrogen-doped reduced graphene oxide (N-rGO) has been synthesized using a simple, efficient method combining instant thermal exfoliation and covalent bond transformation from a melamine-graphene oxide mixture. The capacitive performance of N-rGO has been tested in both aqueous (0.5 M H2SO4) and organic (1 M tetraethyl-ammonium tetrafluoroborate (TEABF4) in propylene carbonate (PC)) electrolytes, which are compared with those obtained from thermal-reduced graphene oxide (T-rGO) and chemical-reduced graphene oxide (C-rGO). The contributions of scan-rate-independent (double-layer-like) and scan-rate-dependent (pseudo-capacitance-like) capacitance of all reduced graphene oxides in both aqueous and organic electrolytes were evaluated and compared. The results show that relatively rich oxygen-containing functional groups on C-rGO form significant ion-diffusion barrier, resulting in worse electrochemical responses in organic electrolyte. By contrast, the N-doped structures, large surface area, and lower density of oxygen-containing groups make N-rGO become a promising electrode material for organic electric double-layer capacitors (EDLCs). The capacitance rate-retention of N-rGO reaches 71.1% in 1 M TEABF4/PC electrolyte when the scan rate is elevated to 200 mVs-1, demonstrating that N-rGO improves the relatively low-power drawback of EDLCs in organic electrolytes. The specific energy and power of a symmetric N-rGO cell in the organic electrolyte reach 25 Wh kg-1 and 10 kW kg-1, respectively.

  15. Textured surface structures formed using new techniques on transparent conducting Al-doped zinc oxide films prepared by magnetron sputtering

    International Nuclear Information System (INIS)

    Minami, Tadatsugu; Miyata, Toshihiro; Uozaki, Ryousuke; Sai, Hitoshi; Koida, Takashi

    2016-01-01

    Surface-textured Al-doped ZnO (AZO) films formed using two new techniques based on magnetron sputtering deposition were developed by optimizing the light scattering properties to be suitable for transparent electrode applications in thin-film silicon solar cells. Scrambled egg-like surface-textured AZO films were prepared using a new texture formation technique that post-etched pyramidal surface-textured AZO films prepared under deposition conditions suppressing c-axis orientation. In addition, double surface-textured AZO films were prepared using another new texture formation technique that completely removed, by post-etching, the pyramidal surface-textured AZO films previously prepared onto the initially deposited low resistivity AZO films; simultaneously, the surface of the low resistivity films was slightly etched. However, the obtained very high haze value in the range from the near ultraviolet to visible light in the scrambled egg-like surface-textured AZO films did not contribute significantly to the obtainable photovoltaic properties in the solar cells fabricated using the films. Significant light scattering properties as well as a low sheet resistance could be achieved in the double surface-textured AZO films. In addition, a significant improvement of external quantum efficiency in the range from the near ultraviolet to visible light was achieved in superstrate-type n-i-p μc-Si:H solar cells fabricated using a double surface-textured AZO film prepared under optimized conditions as the transparent electrode. - Highlights: • Double surface-textured AZO films prepared using a new texture formation technique • Extensive light scattering properties with low sheet resistance achieved in the double surface-textured AZO films • Improved external quantum efficiency of μc-Si:H solar cells using a double surface-textured AZO film

  16. Textured surface structures formed using new techniques on transparent conducting Al-doped zinc oxide films prepared by magnetron sputtering

    Energy Technology Data Exchange (ETDEWEB)

    Minami, Tadatsugu [Optoelectronic Device System R& D Center, Kanazawa Institute of Technology, Nonoichi, Ishikawa 921-8501 (Japan); Miyata, Toshihiro, E-mail: tmiyata@neptune.kanazawa-it.ac.jp [Optoelectronic Device System R& D Center, Kanazawa Institute of Technology, Nonoichi, Ishikawa 921-8501 (Japan); Uozaki, Ryousuke [Optoelectronic Device System R& D Center, Kanazawa Institute of Technology, Nonoichi, Ishikawa 921-8501 (Japan); Sai, Hitoshi; Koida, Takashi [Research Center for Photovoltaics, National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba, Ibaraki 305-8568 (Japan)

    2016-09-01

    Surface-textured Al-doped ZnO (AZO) films formed using two new techniques based on magnetron sputtering deposition were developed by optimizing the light scattering properties to be suitable for transparent electrode applications in thin-film silicon solar cells. Scrambled egg-like surface-textured AZO films were prepared using a new texture formation technique that post-etched pyramidal surface-textured AZO films prepared under deposition conditions suppressing c-axis orientation. In addition, double surface-textured AZO films were prepared using another new texture formation technique that completely removed, by post-etching, the pyramidal surface-textured AZO films previously prepared onto the initially deposited low resistivity AZO films; simultaneously, the surface of the low resistivity films was slightly etched. However, the obtained very high haze value in the range from the near ultraviolet to visible light in the scrambled egg-like surface-textured AZO films did not contribute significantly to the obtainable photovoltaic properties in the solar cells fabricated using the films. Significant light scattering properties as well as a low sheet resistance could be achieved in the double surface-textured AZO films. In addition, a significant improvement of external quantum efficiency in the range from the near ultraviolet to visible light was achieved in superstrate-type n-i-p μc-Si:H solar cells fabricated using a double surface-textured AZO film prepared under optimized conditions as the transparent electrode. - Highlights: • Double surface-textured AZO films prepared using a new texture formation technique • Extensive light scattering properties with low sheet resistance achieved in the double surface-textured AZO films • Improved external quantum efficiency of μc-Si:H solar cells using a double surface-textured AZO film.

  17. Oxidation of Ethylene Carbonate on Li Metal Oxide Surfaces

    DEFF Research Database (Denmark)

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

    2018-01-01

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

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

    Science.gov (United States)

    Renaud, Gilles

    Experimental determinations of the atomic structure of insulating oxide surfaces and metal/oxide interfaces are scarce, because surface science techniques are often limited by the insulating character of the substrate. Grazing incidence X-ray scattering (GIXS), which is not subject to charge effects, can provide very precise information on the atomic structure of oxide surfaces: roughness, relaxation and reconstruction. It is also well adapted to analyze the atomic structure, the registry, the misfit relaxation, elastic or plastic, the growth mode and the morphology of metal/oxide interfaces during their growth, performed in situ. GIXS also allows the analysis of thin films and buried interfaces, in a non-destructive way, yielding the epitaxial relationships, and, by variation of the grazing incidence angle, the lattice parameter relaxation along the growth direction. On semi-coherent interfaces, the existence of an ordered network of interfacial misfit dislocations can be demonstrated, its Burger's vector determined, its ordering during in situ annealing cycles followed, and sometimes even its atomic structure can be addressed. Careful analysis during growth allows the modeling of the dislocation nucleation process. This review emphasizes the new information that GIXS can bring to oxide surfaces and metal/oxide interfaces by comparison with other surface science techniques. The principles of X-ray diffraction by surfaces and interfaces are recalled, together with the advantages and properties of grazing angles. The specific experimental requirements are discussed. Recent results are presented on the determination of the atomic structure of relaxed or reconstructed oxide surfaces. A description of results obtained during the in situ growth of metal on oxide surfaces is also given, as well as investigations of thick metal films on oxide surfaces, with lattice parameter misfit relaxed by an array of dislocations. Recent work performed on oxide thin films having

  19. Spectroscopic investigation of oxidized solder surfaces

    International Nuclear Information System (INIS)

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

    2011-01-01

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

  20. Electrolysis of water on (oxidized) metal surfaces

    DEFF Research Database (Denmark)

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

    2005-01-01

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

  1. Significance of porous structure on degradatin of 2 2' dichloro diethyl sulphide and 2 chloroethyl ethyl sulphide on the surface of vanadium oxide nanostructure

    Energy Technology Data Exchange (ETDEWEB)

    Singh, Beer, E-mail: beerbs5@rediffmail.com [Defence R and D Establishment, Jhansi Road, Gwalior, M.P 474002 (India); Mahato, T.H.; Srivastava, A.K.; Prasad, G.K.; Ganesan, K.; Vijayaraghavan, R. [Defence R and D Establishment, Jhansi Road, Gwalior, M.P 474002 (India); Jain, Rajeev [School of Studies in Chemistry, Jiwaji University, Gwalior, M.P. 474011 (India)

    2011-06-15

    Degradation of the king of chemical warfare agent, 2 2' dichloro diethyl sulphide (HD), and its simulant 2 chloroethyl ethyl sulphide (CEES) were investigated on the surface of porous vanadium oxide nanotubes at room temperature (30 {+-} 2{sup Degree-Sign }C ). Reaction kinetics was monitored by GC-FID technique and the reaction products were characterized by GC-MS. Data indicates that HD degraded faster relative to CEES inside the solid decontaminant compared to the reported liquid phase degradation of CEES and HD. Data explores the role of hydrolysis, elimination and oxidation reactions in the detoxification of HD and CEES and the first order rate constant and t{sub 1/2} were calculated to be 0.026 h{sup -1}, 26.6 h for CEES and 0.052 h{sup -1}, 13.24 h for HD. In this report faster degradation of HD compared to CEES was explained on the basis of porous structure.

  2. Structure and catalytic reactivity of Rh oxides

    DEFF Research Database (Denmark)

    Gustafson, J.; Westerström, R.; Resta, A.

    2009-01-01

    Using a combination of experimental and theoretical techniques, we show that a thin RhO2 surface oxide film forms prior to the bulk Rh2O3 corundum oxide on all close-packed single crystal Rh surfaces. Based on previous reports, we argue that the RhO2 surface oxide also forms on vicinal Rh surface...

  3. Photocatalysis of Modified Transition Metal Oxide Surfaces

    Energy Technology Data Exchange (ETDEWEB)

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

    2018-02-28

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

  4. Onset and evolution of laser induced periodic surface structures on indium tin oxide thin films for clean ablation using a repetitively pulsed picosecond laser at low fluence

    Science.gov (United States)

    Farid, N.; Dasgupta, P.; O’Connor, G. M.

    2018-04-01

    The onset and evolution of laser induced periodic surface structures (LIPSS) is of key importance to obtain clean ablated features on indium tin oxide (ITO) thin films at low fluences. The evolution of subwavelength periodic nanostructures on a 175 nm thick ITO film, using 10 ps laser pulses at a wavelength of 1032 nm, operating at 400 kHz, is investigated. Initially nanoblisters are observed when a single pulse is applied below the damage threshold fluence (0.45 J cm‑2) the size and distribution of nanoblisters are found to depend on fluence. Finite difference time domain (FDTD) simulations support the hypothesis that conductive nanoblisters can enhance the local intensity of the applied electromagnetic field. The LIPSS are observed to evolve from regions where the electric field enhancement has occurred; LIPSS has a perpendicular orientation relative to the laser polarization for a small number (5) pulses, the orientation of the periodic structures appears to rotate and evolve to become aligned in parallel with the laser polarization at approximately the same periodicity. These orientation effects are not observed at higher fluence—due to the absence of the nanoblister-like structures; this apparent rotation is interpreted to be due to stress-induced fragmentation of the LIPSS structure. The application of subsequent pulses leads to clean ablation. LIPSS are further modified into features of a shorter period when laser scanning is used. Results provide evidence that the formation of conductive nanoblisters leads to the enhancement of the applied electromagnetic field and thereby can be used to precisely control laser ablation on ITO thin films.

  5. CO oxidation on PdO surfaces

    DEFF Research Database (Denmark)

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

    2010-01-01

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

  6. Structural/surface characterization and catalytic evaluation of rare-earth (Y, Sm and La) doped ceria composite oxides for CH{sub 3}SH catalytic decomposition

    Energy Technology Data Exchange (ETDEWEB)

    He, Dedong; Chen, Dingkai; Hao, Husheng; Yu, Jie; Liu, Jiangping; Lu, Jichang; Liu, Feng [Faculty of Environmental Science and Engineering, Kunming University of Science and Technology, Kunming, 650500 (China); Wan, Gengping [Faculty of Environmental Science and Engineering, Kunming University of Science and Technology, Kunming, 650500 (China); Research Center for Analysis and Measurement, Hainan University, Haikou, 570228 (China); He, Sufang [Research Center for Analysis and Measurement, Kunming University of Science and Technology, Kunming, 650093 (China); Luo, Yongming, E-mail: environcatalysis222@yahoo.com [Faculty of Environmental Science and Engineering, Kunming University of Science and Technology, Kunming, 650500 (China)

    2016-12-30

    Highlights: • Ce{sub 0.75}RE{sub 0.25}O{sub 2-δ} (RE = Y, Sm and La) were synthesized by citrate complexation method. • Ce{sub 0.75}Y{sub 0.25}O{sub 2-δ} exhibited the best stability for the decomposition of CH{sub 3}SH. • Cation radius played a key role in determining structure and surface characteristics. • Catalytic behavior depended on synergistic role of oxygen vacancies and basic sites. • Ce{sub 2}S{sub 3} accumulation on the surface was responsible for the deactivation of catalyst. - Abstract: A series of rare earth (Y, Sm and La) doped ceria composite oxides and pure CeO{sub 2} were synthesized and evaluated by conducting CH{sub 3}SH catalytic decomposition test. Several characterization studies, including XRD, BET, Raman, H{sub 2}-TPR, XPS, FT-IR, CO{sub 2}-TPD and CH{sub 3}SH-TPD, were undertaken to correlate structural and surface properties of the obtained ceria-based catalysts with their catalytic performance for CH{sub 3}SH decomposition. More oxygen vacancies and increased basic sites exhibited in the rare earth doped ceria catalysts. Y doped ceria sample (Ce{sub 0.75}Y{sub 0.25}O{sub 2-δ}), with a moderate increase in basic sites, contained more oxygen vacancies. More structural defects and active sites could be provided, and a relatively small amount of sulfur would accumulate, which resulted in better catalytic performance. The developed catalyst presented good catalytic behavior with stability very similar to that of typical zeolite-based catalysts reported previously. However, La doped ceria catalyst (Ce{sub 0.75}La{sub 0.25}O{sub 2-δ}) with the highest alkalinity was not the most active one. More sulfur species would be adsorbed and a large amount of cerium sulfide species (Ce{sub 2}S{sub 3}) would accumulate, which caused deactivation of the catalysts. The combined effect of increased oxygen vacancies and alkalinity led to the catalytic stability of Ce{sub 0.75}Sm{sub 0.25}O{sub 2-δ} sample was comparable to that of pure Ce

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

    DEFF Research Database (Denmark)

    Levi, Gianluca; Causà, Mauro; Lacovig, Paolo

    2017-01-01

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

  8. Surface and mineral structure of ferrihydrite

    NARCIS (Netherlands)

    Hiemstra, T.

    2013-01-01

    Ferrihydrite (Fh) is an yet enigmatic nano Fe(III)-oxide material, omnipresent in nature that can bind ions in large quantities, regulating bioavailability and ion mobility. Although extensively studied, to date no proper view exists on the surface structure and composition, while it is of vital

  9. Quasiparticle Interference on Cubic Perovskite Oxide Surfaces.

    Science.gov (United States)

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

    2017-08-25

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

  10. Surface chemistry on interstellar oxide grains

    International Nuclear Information System (INIS)

    Denison, P.; Williams, D.A.

    1981-01-01

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

  11. Modification of polycarbonate surface in oxidizing plasma

    Science.gov (United States)

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

    2017-11-01

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

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

    Institute of Scientific and Technical Information of China (English)

    Yu-qing Song; Xiao-ping Wang

    2017-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-10-15

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

  14. The structure of reconstructed chalcopyrite surfaces

    Science.gov (United States)

    Thinius, Sascha; Islam, Mazharul M.; Bredow, Thomas

    2018-03-01

    Chalcopyrite (CuFeS2) surfaces are of major interest for copper exploitation in aqueous solution, called leaching. Since leaching is a surface process knowledge of the surface structure, bonding pattern and oxidation states is important for improving the efficiency. At present such information is not available from experimental studies. Therefore a detailed computational study of chalcopyrite surfaces is performed. The structures of low-index stoichiometric chalcopyrite surfaces {hkl} h, k, l ∈ {0, 1, 2} have been studied with density functional theory (DFT) and global optimization strategies. We have applied ab initio molecular dynamics (MD) in combination with simulated annealing (SA) in order to explore possible reconstructions via a minima hopping (MH) algorithm. In almost all cases reconstruction involving substantial rearrangement has occurred accompanied by reduction of the surface energy. The analysis of the change in the coordination sphere and migration during reconstruction reveals that S-S dimers are formed on the surface. Further it was observed that metal atoms near the surface move toward the bulk forming metal alloys passivated by sulfur. The obtained surface energies of reconstructed surfaces are in the range of 0.53-0.95 J/m2.

  15. Oxide Interfaces: emergent structure and dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Clarke, Roy [Univ. of Michigan, Ann Arbor, MI (United States)

    2016-08-16

    This Final Report describes the scientific accomplishments that have been achieved with support from grant DE-FG02-06ER46273 during the period 6/1/2012– 5/31/2016. The overall goals of this program were focused on the behavior of epitaxial oxide heterostructures at atomic length scales (Ångstroms), and correspondingly short time-scales (fs -ns). The results contributed fundamentally to one of the currently most active frontiers in condensed matter physics research, namely to better understand the intricate relationship between charge, lattice, orbital and spin degrees of freedom that are exhibited by complex oxide heterostructures. The findings also contributed towards an important technological goal which was to achieve a better basic understanding of structural and electronic correlations so that the unusual properties of complex oxides can be exploited for energy-critical applications. Specific research directions included: probing the microscopic behavior of epitaxial interfaces and buried layers; novel materials structures that emerge from ionic and electronic reconfiguration at epitaxial interfaces; ultrahigh-resolution mapping of the atomic structure of heterointerfaces using synchrotron-based x-ray surface scattering, including direct methods of phase retrieval; using ultrafast lasers to study the effects of transient strain on coherent manipulation of multi-ferroic order parameters; and investigating structural ordering and relaxation processes in real-time.

  16. Surface Passivation of CIGS Solar Cells Using Gallium Oxide

    KAUST Repository

    Garud, Siddhartha

    2018-02-27

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

  17. The effect of Pd ensemble structure on the O2 dissociation and CO oxidation mechanisms on Au—Pd(100) surface alloys

    Science.gov (United States)

    Oǧuz, Ismail-Can; Mineva, Tzonka; Guesmi, Hazar

    2018-01-01

    The reactivity of various Pd ensembles on the Au—Pd(100) alloy catalyst toward CO oxidation was investigated by using density functional theory (DFT). This study was prompted by the search for efficient catalysts operating at low temperature for the CO oxidation reaction that is of primary environmental importance. To this aim, we considered Pd modified Au(100) surfaces including Pd monomers, Pd dimers, second neighboring Pd atoms, and Pd chains in a comparative study of the minimum energy reaction pathways. The effect of dispersion interactions was included in the calculations of the O2 dissociation reaction pathway by using the DFT-D3 scheme. The addition of the dispersion interaction strongly improves the adsorption ability of O2 on the Au—Pd surface but does not affect the activation energy barriers of the Transitions States (TSs). As for O2 to dissociate, it is imperative that the TS has lower activation energy than the O2 desorption energy. DFT-D3 is found to favor, in some cases, O2 dissociation on configurations being identified from uncorrected DFT calculations as inactive. This is the case of the second neighboring Pd configuration for which uncorrected DFT predicts positive Gibbs free energy (ΔG) of the O2 adsorption, therefore an endergonic reaction. With the addition of D3 correction, ΔG becomes negative that reveals a spontaneous O2 adsorption. Among the investigated Au—Pd (100) ensembles, the Pd chain dissociates most easily O2 and highly stabilizes the dissociated O atoms; however, it has an inferior reactivity toward CO oxidation and CO2 formation. Indeed, CO strongly adsorbs on the palladium bridge sites and therefore poisoning the surface Pd chain. By contrast, the second neighboring Pd configuration that shows somewhat lower ability to dissociate O2 turns out to be more reactive in the CO2 formation step. These results evidence the complex effect of Pd ensembles on the CO oxidation reaction. Associative CO oxidation proceeds with high

  18. Thin films of metal oxides on metal single crystals: Structure and growth by scanning tunneling microscopy

    International Nuclear Information System (INIS)

    Galloway, H.C.

    1995-12-01

    Detailed studies of the growth and structure of thin films of metal oxides grown on metal single crystal surfaces using Scanning Tunneling Microscopy (STM) are presented. The oxide overlayer systems studied are iron oxide and titanium oxide on the Pt(III) surface. The complexity of the metal oxides and large lattice mismatches often lead to surface structures with large unit cells. These are particularly suited to a local real space technique such as scanning tunneling microscopy. In particular, the symmetry that is directly observed with the STM elucidates the relationship of the oxide overlayers to the substrate as well as distinguishing, the structures of different oxides

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

    Science.gov (United States)

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

    2014-06-01

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

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

    International Nuclear Information System (INIS)

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

    2014-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-06-01

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

  2. Control of magnetism by electrical charge doping or redox reactions in a surface-oxidized Co thin film with a solid-state capacitor structure

    Science.gov (United States)

    Hirai, T.; Koyama, T.; Chiba, D.

    2018-03-01

    We have investigated the electric field (EF) effect on magnetism in a Co thin film with a naturally oxidized surface. The EF was applied to the oxidized Co surface through a gate insulator layer made of HfO2, which was formed using atomic layer deposition (ALD). The efficiency of the EF effect on the magnetic anisotropy in the sample with the HfO2 layer deposited at the appropriate temperature for the ALD process was relatively large compared to the previously reported values with an unoxidized Co film. The coercivity promptly and reversibly followed the variation in gate voltage. The modulation of the channel resistance was at most ˜0.02%. In contrast, a dramatic change in the magnetic properties including the large change in the saturation magnetic moment and a much larger EF-induced modulation of the channel resistance (˜10%) were observed in the sample with a HfO2 layer deposited at a temperature far below the appropriate temperature range. The response of these properties to the gate voltage was very slow, suggesting that a redox reaction dominated the EF effect on the magnetism in this sample. The frequency response for the capacitive properties was examined to discuss the difference in the mechanism of the EF effect observed here.

  3. Mechanical tearing of graphene on an oxidizing metal surface

    International Nuclear Information System (INIS)

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

    2015-01-01

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

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

    Science.gov (United States)

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

    2015-12-11

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

  5. Patterning pentacene surfaces by local oxidation nanolithography

    International Nuclear Information System (INIS)

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

    2010-01-01

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

  6. Temperature effect on surface oxidation of titanium

    International Nuclear Information System (INIS)

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

    1990-01-01

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

  7. Negative secondary ion emission from oxidized surfaces

    International Nuclear Information System (INIS)

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

    1984-01-01

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

  8. Thermal Oxidation of Structured Silicon Dioxide

    DEFF Research Database (Denmark)

    Christiansen, Thomas Lehrmann; Hansen, Ole; Jensen, Jørgen Arendt

    2014-01-01

    The topography of thermally oxidized, structured silicon dioxide is investigated through simulations, atomic force microscopy, and a proposed analytical model. A 357 nm thick oxide is structured by removing regions of the oxide in a masked etch with either reactive ion etching or hydrofluoric acid....... Subsequent thermal oxidation is performed in both dry and wet ambients in the temperature range 950◦C to 1100◦C growing a 205 ± 12 nm thick oxide in the etched mask windows. Lifting of the original oxide near the edge of the mask in the range 6 nm to 37 nm is seen with increased lifting for increasing...

  9. Uniform superhydrophobic surfaces using micro/nano complex structures formed spontaneously by a simple and cost-effective nonlithographic process based on anodic aluminum oxide technology

    International Nuclear Information System (INIS)

    Kim, Dae-Ho; Cho, Chae-Ryong; Kim, Jong-Man; Kim, Yongsung; Kim, Byung Min; Ko, Jong Soo

    2011-01-01

    This paper presents a uniform micro/nano double-roughened superhydrophobic surface with a high static contact angle (CA) and low contact angle hysteresis (CAH). The proposed micro/nano complex structured surfaces were self-fabricated simply and efficiently using a very simple and low-cost nonlithographic sequential process, which consists of aluminum (Al) sputtering, anodization of the Al layer and pore widening, without specific equipment and additional subsequent processes. The wetting properties of the fabricated surfaces were characterized by measuring the static CAs and the CAHs after plasma polymerized fluorocarbon coating with a low surface energy. The measured static CA and CAH were 154 ± 2.3° and 5.7 ± 0.8°, respectively, showing that the fabricated double-roughened surfaces exhibit superhydrophobic behaviors clearly. In addition, the proposed double-scaled surfaces at a wafer-level exhibited uniform superhydrophobic behaviors across the wafer with an apparent CA and CAH of 153.9 ± 0.8° and 4.9 ± 1.3°, respectively.

  10. Studies on surface structures and mechanism of photocatalytic action of semiconductor oxides; Handotai hikari shokubai no hyomen kozo seigyo to sayo kiko kaimei ni kansuru kenkyu

    Energy Technology Data Exchange (ETDEWEB)

    Takeuchi, H; Sona, S; Koike, H; Hori, H; Negishi, N; Kohara, H; Ibusuki, A [National Institute for Resources and Environment, Tsukuba (Japan); Vakhtin, A; Borovkov, V [New Energy and Industrial Technology Development Organization, Tokyo, (Japan)

    1997-02-01

    Studies are made to define the working mechanism of semiconductor photocatalysts such as TiO2 and to establish designing guidelines for improving on their activity and functions. TiO2 in the air actively produces oxygen seeds for the oxidation and removal of NOx, etc. It is desired that a catalyst have a specific surface area large enough to retain the product of its action. To meet the need, a thin-film photocatalyst which is an aggregate of TiO2 crystals is produced by burning a film of a sol/gel system of reaction doped with macromolecules. This product has a larger specific surface area and is higher in pollutant-removing performance, and may be put into practical use. In another experiment, metal-carrying particles TiO2 suspended in water are employed for the reduction of CO2. Though the main product of catalysts carrying Pt or Pd is methane, a photocatalyst carrying RuO2 produces acetic acid mainly and loses less activity with the passage of time. A hybrid photocatalyst is composed of an organic pigment and inorganic semiconductor, synthesized through a covalent bond between a sililated-surface thin TiO2 film and porphyrin. It is confirmed that the newly developed process brings about an increase in electron migration efficiency. 3 figs.

  11. Structural evolution in nanoporous anodic aluminium oxide

    International Nuclear Information System (INIS)

    Rocca, Emmanuel; Vantelon, Delphine; Reguer, Solenn; Mirambet, François

    2012-01-01

    Nanoporous and self-organized layers of aluminium alloys are used in many applications as membranes, templates for nanometric objects or corrosion protection for aluminium alloys. The use of this nanometric structure widely remains empirical, especially in the case of very small pores ( 4 into AlO 6 cluster and a partial release of sulphate ions are an important chemical transformation of the amorphous structure. This structural transformation defines the chemistry (pH and surface charge) inside the nanopores, the ageing behaviour and the possible incorporation or diffusion of chemical species in the nanostructure. Highlights: ► Investigations of local chemical environment of aluminium atoms in anodic aluminium oxide. ► The oxide structure is constituted by 2/3 of aluminium in tetrahedral coordination 1/3 in octahedral coordination. ► In contact with water, AlO 4 clusters are transformed into AlO 6 cluster and the aluminium sulphate bonds are hydrolysed. ► These transformations induce a pH decrease inside the nanostructure.

  12. Band energy control of molybdenum oxide by surface hydration

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-12-07

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

  13. Effects of hydrophilic solvent and oxidation resistance post surface treatment on molecular structure and forward osmosis performance of polyamide thin-film composite (TFC) membranes

    Energy Technology Data Exchange (ETDEWEB)

    Jia, Qibo; Xu, Yangyu [School of Environment, Tsinghua University, Beijing 100084 (China); Shen, Jianquan [Beijing National Laboratory for Molecular Sciences (BNLMS), Key Laboratory of Green Printing, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); Yang, Haijun, E-mail: yanghj@iccas.ac.cn [Beijing National Laboratory for Molecular Sciences (BNLMS), Key Laboratory of Green Printing, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); Zhou, Lu, E-mail: zhoulu@tsinghua.edu.cn [School of Environment, Tsinghua University, Beijing 100084 (China)

    2015-11-30

    Graphical abstract: - Highlights: • NMP promotes swelling of polyamide, which enhances the TFC FO membrane water flux. • Electron-withdrawing carboxyl groups reduce the activity of polyamide molecules. • TMC and oxalic acid can improve the oxidation resistance properties of the FO membrane. • Oxalic acid and EDC improve the FO membrane separation performance significantly. - Abstract: In this article, novel hydrophilic solvents and antioxidants were used to post-treat aromatic polyamide thin-film composite (TFC) hollow fiber forward osmosis (FO) membranes. The effects of trimesoyl chloride (TMC) and oxalic acid on the structure of polyamide skin layer were investigated using ATR-FTIR and XPS analyses. Pure water flux and rejection of salts were detected using 2 M NaCl solution as draw solutions in FO processes. The results demonstrated that hydrophilic solvent N-methyl pyrrolidone (NMP) enhanced the water flux and kept a high salt retention of the TFC FO membrane. TMC and oxalic acid were both found to improve the oxidation resistance properties of the skin layer of TFC membrane because the electron-withdrawing carboxyl groups reduced the activity of polyamide molecular. The effects of the oxalic acid and carbodiimide on the molecular structures and the FO water flux of the polyamide TFC membranes were more marked than those of TMC. The novel TFC FO membrane treated by oxalic acid and 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride (EDC) exhibited a high level of water flux (20.33 L m{sup −2} h{sup −1}), and the rates of salt rejection and salt reverse rejection were higher by 50% and 83%, respectively.

  14. Reversible structural modulation of Fe-Pt bimetallic surfaces and its effect on reactivity.

    Science.gov (United States)

    Ma, Teng; Fu, Qiang; Su, Hai-Yan; Liu, Hong-Yang; Cui, Yi; Wang, Zhen; Mu, Ren-Tao; Li, Wei-Xue; Bao, Xin-He

    2009-05-11

    Tunable surface: The surface structure of the Fe-Pt bimetallic catalyst can be reversibly modulated between the iron-oxide-rich Pt surface and the Pt-skin structure with subsurface Fe via alternating reduction and oxidation treatments (see figure). The regenerated active Pt-skin structure is active in reactions involving CO and/or O.

  15. The structure of stepped surfaces

    International Nuclear Information System (INIS)

    Algra, A.J.

    1981-01-01

    The state-of-the-art of Low Energy Ion Scattering (LEIS) as far as multiple scattering effects are concerned, is discussed. The ion fractions of lithium, sodium and potassium scattered from a copper (100) surface have been measured as a function of several experimental parameters. The ratio of the intensities of the single and double scattering peaks observed in ion scattering spectroscopy has been determined and ion scattering spectroscopy applied in the multiple scattering mode is used to determine the structure of a stepped Cu(410) surface. The average relaxation of the (100) terraces of this surface appears to be very small. The adsorption of oxygen on this surface has been studied with LEIS and it is indicated that oxygen absorbs dissociatively. (C.F.)

  16. Ni-doped (CeO{sub 2−δ})–YSZ mesoarchitectured with nanocrystalline framework: the effect of thermal treatment on structure, surface chemistry and catalytic properties in the partial oxidation of methane (CPOM)

    Energy Technology Data Exchange (ETDEWEB)

    Somacescu, Simona, E-mail: ssimona@icf.ro [Romanian Academy, “Ilie Murgulescu” Institute of Physical Chemistry (Romania); Florea, Mihaela [University of Bucharest, Department of Organic Chemistry, Biochemistry and Catalysis, Faculty of Chemistry (Romania); Osiceanu, Petre; Calderon-Moreno, Jose Maria [Romanian Academy, “Ilie Murgulescu” Institute of Physical Chemistry (Romania); Ghica, Corneliu [National Institute of Materials Physics (Romania); Serra, Jose Manuel [Universidad Politécnica de Valencia - Consejo Superior de Investigaciones Científicas, Instituto de Tecnología Química (Spain)

    2015-11-15

    Ni-doped (CeO{sub 2−δ})–YSZ (5 mol% Ni oxide, 10 mol% ceria) mesoarchitectures (MA) with nanocrystalline framework have been synthesized by an original, facile and cheap approach based on Triton X100 nonionic surfactant as template and water as solvent at a strong basic pH value. Following the hydrothermal treatment under autogenous pressure (∼18 bars), Ni, Ce, Y, and Zr were well ordered as MA with nanocrystalline framework, assuring thermal stability. A comprehensive investigation of structure, texture, morphology, and surface chemistry was performed by means of a variety of complementary techniques (X-Ray Diffraction, XRD; Raman Spectroscopy, RS; Brunauer—Emmett—Teller, BET; Temperature—Programmed Reduction, TPR; Transmission Electron Microscopy, TEM and DF-STEM; X-ray Photoelectron Spectroscopy, XPS; Catalytic activity and selectivity). N{sub 2} sorption measurements highlighted that the mesoporous structure is formed at 600 °C and remains stable at 800 °C. At 900 °C, the MA collapses, favoring the formation of macropores. The XRD and Raman Spectroscopy of all samples showed the presence of a pure, single phase with fluorite-type structure. At 900 °C, an increased tetragonal distortion of the cubic lattice was observed. The surface chemistry probed by XPS exhibits a mixture of oxidation states (Ce{sup 3+} + Ce{sup 4+}) with high percentage of Ce{sup 3+} valence state ∼35 % and (Ni{sup 3+} and Ni{sup 2+}) oxidation states induced by the thermal treatment. These nanoparticles assembled into MA show high stability and selectivity over time in catalytic partial oxidation of methane (CPOM). These promising performances suggest an interesting prospect for introduction as anode within IT-SOFC assemblies.Graphical Abstract.

  17. Ni-doped (CeO2−δ)–YSZ mesoarchitectured with nanocrystalline framework: the effect of thermal treatment on structure, surface chemistry and catalytic properties in the partial oxidation of methane (CPOM)

    International Nuclear Information System (INIS)

    Somacescu, Simona; Florea, Mihaela; Osiceanu, Petre; Calderon-Moreno, Jose Maria; Ghica, Corneliu; Serra, Jose Manuel

    2015-01-01

    Ni-doped (CeO 2−δ )–YSZ (5 mol% Ni oxide, 10 mol% ceria) mesoarchitectures (MA) with nanocrystalline framework have been synthesized by an original, facile and cheap approach based on Triton X100 nonionic surfactant as template and water as solvent at a strong basic pH value. Following the hydrothermal treatment under autogenous pressure (∼18 bars), Ni, Ce, Y, and Zr were well ordered as MA with nanocrystalline framework, assuring thermal stability. A comprehensive investigation of structure, texture, morphology, and surface chemistry was performed by means of a variety of complementary techniques (X-Ray Diffraction, XRD; Raman Spectroscopy, RS; Brunauer—Emmett—Teller, BET; Temperature—Programmed Reduction, TPR; Transmission Electron Microscopy, TEM and DF-STEM; X-ray Photoelectron Spectroscopy, XPS; Catalytic activity and selectivity). N 2 sorption measurements highlighted that the mesoporous structure is formed at 600 °C and remains stable at 800 °C. At 900 °C, the MA collapses, favoring the formation of macropores. The XRD and Raman Spectroscopy of all samples showed the presence of a pure, single phase with fluorite-type structure. At 900 °C, an increased tetragonal distortion of the cubic lattice was observed. The surface chemistry probed by XPS exhibits a mixture of oxidation states (Ce 3+  + Ce 4+ ) with high percentage of Ce 3+ valence state ∼35 % and (Ni 3+ and Ni 2+ ) oxidation states induced by the thermal treatment. These nanoparticles assembled into MA show high stability and selectivity over time in catalytic partial oxidation of methane (CPOM). These promising performances suggest an interesting prospect for introduction as anode within IT-SOFC assemblies.Graphical Abstract

  18. Oxidation of scandium thin films on tungsten surface

    International Nuclear Information System (INIS)

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

    1988-01-01

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

  19. Structure of the moon's surface

    CERN Document Server

    Fielder, Gilbert

    1961-01-01

    Structure of the Moon's Surface aims to assemble and marshal relevant matter, and to produce a largely unprejudiced text which brings lunar studies up to date and stresses the importance of certain features of the Moon which have frequently been disregarded in the past, largely because of lack of knowledge about them. The book contains 14 chapters organized into two parts. Part I reviews and summarizes important physical problems. These include the liberations of the moon; height determinations of points of the moon's surface; the figure of the moon; and the moon's temperature and atmosphere.

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

    Science.gov (United States)

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

    2011-01-01

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

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

    Science.gov (United States)

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

    2016-02-01

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

  2. Structural and electronic properties of hydrosilylated silicon surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Baumer, A.

    2005-11-15

    The structural and electronic properties of alkyl-terminated Si surfaces prepared by thermallyinduced hydrosilylation have been studied in detail in the preceding chapters. Various surfaces have been used for the functionalization ranging from crystalline Si over amorphous hydrogenated Si to nanoscaled materials such as Si nanowires and nanoparticles. In each case, the alkyl-terminated surfaces have been compared to the native oxidized and H-terminated surfaces. (orig.)

  3. Oxide nano-rod array structure via a simple metallurgical process

    International Nuclear Information System (INIS)

    Nanko, M; Do, D T M

    2011-01-01

    A simple method for fabricating oxide nano-rod array structure via metallurgical process is reported. Some dilute alloys such as Ni(Al) solid solution shows internal oxidation with rod-like oxide precipices during high-temperature oxidation with low oxygen partial pressure. By removing a metal part in internal oxidation zone, oxide nano-rod array structure can be developed on the surface of metallic components. In this report, Al 2 O 3 or NiAl 2 O 4 nano-rod array structures were prepared by using Ni(Al) solid solution. Effects of Cr addition into Ni(Al) solid solution on internal oxidation were also reported. Pack cementation process for aluminizing of Ni surface was applied to prepare nano-rod array components with desired shape. Near-net shape Ni components with oxide nano-rod array structure on their surface can be prepared by using the pack cementation process and internal oxidation,

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

    International Nuclear Information System (INIS)

    Wang Xiaoling; Fu Yibei; Xie Renshou

    1996-03-01

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

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

    Directory of Open Access Journals (Sweden)

    Variola F

    2014-05-01

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

  6. Structural behaviour of nitrogen in oxide ceramics

    International Nuclear Information System (INIS)

    Ghauri, K.M.

    1997-01-01

    The solubility of nitrogen in molten oxides has significant consideration for two quite different types of engineering materials. The implication of a knowledge of the role of nitrogen in these oxides for refining high nitrogen steels in obvious but similar nitrogen-bearing oxide melts are of critical importance in the densification of silicon nitride ceramics. Present paper discusses structural behaviour and phase equilibria qualitatively in the light of knowledge available on slag structure through infrared and x-ray diffraction. Nitrogen solubility in glasses and related sialon based ceramics may be of paramount importance to understand the role of nitrogen in these materials as these oxides are similar in composition, structure and characteristics to sintering glasses in nitrogen ceramics. It is quite logical to infer that the same oxide model can be applied in order to massively produce nitrogen alloyed steels which are actively competing to be the materials of the next century. (author)

  7. FY1995 studies on surface structures and mechanism of photocatalytic action of semiconductor oxides; 1995 nendo handotai hikari shokubai no hyomen kozo seigyo to sayo kiko kaimei ni kansuru kenkyu

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1997-03-01

    Development of the semiconductor photocatalyst such as titanium dioxide is important for photo-energy conversion and purification of the environment. We make clear that the mechanism of the photocatalysis using a spectroscopic or physico-chemical methods, and we developed the new photocatalyst with the control of the surface area, porosity, infinitesimal content, and surface modification of the catalyst surface. Titanium dioxide thin film photocatalysts were prepared by the dip coating method. Surface structure of the thin film was formed by the aggregated TiO{sub 2} anatase particle, its size was around 5 nm. This thin films effectively oxidazed NO, its photocatalytic activity is higher than that of commercial photocatalyst. Metal oxide anchored TiO{sub 2} photocatalysts (RuO{sub 2}/TiO{sub 2}) were prepared by the co-precipitation method. Effective charge separation of the RuO{sub 2}/TiO{sub 2} were confirmed by the measurement of ESR. The RuO{sub 2}/TiO{sub 2} photocatalyst successfully reduced CO{sub 2} and preserved its activity for much longer period than metal loaded catalyst. Hybrid photofunctionalized material was prepared by anchoring porphyrin moieties on the titanium dioxide surface. The relative quantum yield of electron transfer from porphyrin to the titanium dioxide conduction band has been markedly increased by water treatment of quanternized porphyrin-titanium dioxide covalently linked systems owing to removal of adsorbed porphyrin domains. (NEDO)

  8. First principles studies of complex oxide surfaces and interfaces

    International Nuclear Information System (INIS)

    Noguera, Claudine; Finocchi, Fabio; Goniakowski, Jacek

    2004-01-01

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

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

    Directory of Open Access Journals (Sweden)

    ROLF-JÜRGEN BEHM

    2001-02-01

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

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

    International Nuclear Information System (INIS)

    Wang Xiaoling; Fu Yibei; Xie Renshou; Huang Ruiliang

    1996-09-01

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

  11. Perovskite oxides: Oxygen electrocatalysis and bulk structure

    Science.gov (United States)

    Carbonio, R. E.; Fierro, C.; Tryk, D.; Scherson, D.; Yeager, Ernest

    1987-01-01

    Perovskite type oxides were considered for use as oxygen reduction and generation electrocatalysts in alkaline electrolytes. Perovskite stability and electrocatalytic activity are studied along with possible relationships of the latter with the bulk solid state properties. A series of compounds of the type LaFe(x)Ni1(-x)O3 was used as a model system to gain information on the possible relationships between surface catalytic activity and bulk structure. Hydrogen peroxide decomposition rate constants were measured for these compounds. Ex situ Mossbauer effect spectroscopy (MES), and magnetic susceptibility measurements were used to study the solid state properties. X ray photoelectron spectroscopy (XPS) was used to examine the surface. MES has indicated the presence of a paramagnetic to magnetically ordered phase transition for values of x between 0.4 and 0.5. A correlation was found between the values of the MES isomer shift and the catalytic activity for peroxide decomposition. Thus, the catalytic activity can be correlated to the d-electron density for the transition metal cations.

  12. Control of Surface and Edge Oxidation on Phosphorene.

    Science.gov (United States)

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

    2017-03-15

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

  13. An ab initio study of plutonium oxides surfaces

    International Nuclear Information System (INIS)

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

    2007-01-01

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

  14. Surfaces and Interfaces of Magnetoelectric Oxide Systems

    Science.gov (United States)

    Cao, Shi

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

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

    International Nuclear Information System (INIS)

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

    2013-01-01

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

  16. Effect of CO on surface oxidation of uranium metal

    International Nuclear Information System (INIS)

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

    1997-01-01

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

  17. Generation of laser-induced periodic surface structures in indium-tin-oxide thin films and two-photon lithography of ma-N photoresist by sub-15 femtosecond laser microscopy for liquid crystal cell application

    Science.gov (United States)

    Klötzer, Madlen; Afshar, Maziar; Feili, Dara; Seidel, Helmut; König, Karsten; Straub, Martin

    2015-03-01

    Indium-tin-oxide (ITO) is a widely used electrode material for liquid crystal cell applications because of its transparency in the visible spectral range and its high electrical conductivity. Important examples of applications are displays and optical phase modulators. We report on subwavelength periodic structuring and precise laser cutting of 150 nm thick indium-tin-oxide films on glass substrates, which were deposited by magnetron reactive DC-sputtering from an indiumtin target in a low-pressure oxygen atmosphere. In order to obtain nanostructured electrodes laser-induced periodic surface structures with a period of approximately 100 nm were generated using tightly focused high-repetition rate sub-15 femtosecond pulsed Ti:sapphire laser light, which was scanned across the sample by galvanometric mirrors. Three-dimensional spacers were produced by multiphoton photopolymerization in ma-N 2410 negative-tone photoresist spin-coated on top of the ITO layers. The nanostructured electrodes were aligned in parallel to set up an electrically switchable nematic liquid crystal cell.

  18. Surface structure of AU3Cu(001)

    DEFF Research Database (Denmark)

    Eckstein, G.A.; Maupai, S.; Dakkouri, A.S.

    1999-01-01

    The surface morphology, composition, and structure of Au3Cu(001) as determined by scanning tunneling microscopy and surface x-ray diffraction are presented. Atomic resolution STM images reveal distinctive geometric features. The analysis of the surface x-ray diffraction data provides clear evidence...... for the surface structure. [S0163-1829(99)04535-X]....

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-09-29

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

  20. Size of oxide vacancies in fluorite and perovskite structured oxides

    DEFF Research Database (Denmark)

    Chatzichristodoulou, Christodoulos; Norby, Poul; Hendriksen, Peter Vang

    2015-01-01

    An analysis of the effective radii of vacancies and the stoichiometric expansion coefficient is performed on metal oxides with fluorite and perovskite structures. Using the hard sphere model with Shannon ion radii we find that the effective radius of the oxide vacancy in fluorites increases...... with increasing ion radius of the host cation and that it is significantly smaller than the radius of the oxide ion in all cases, from 37% smaller for HfO2 to 13 % smaller for ThO2. The perovskite structured LaGaO3 doped with Sr or Mg or both is analyzed in some detail. The results show that the effective radius...... of an oxide vacancy in doped LaGaO3 is only about 6 % smaller than the oxide ion. In spite of this the stoichiometric expansion coefficient (a kind of chemical expansion coefficient) of the similar perovskite, LaCrO3, is significantly smaller than the stoichiometric expansion coefficient of the fluorite...

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

    International Nuclear Information System (INIS)

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

    2015-01-01

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

  2. Structure and growth of oxide on iron-chromium alloys

    International Nuclear Information System (INIS)

    Cox, M.G.C.; McEnaney, B.; Scott, V.D.

    1974-01-01

    Several oxides form during the initial stages of oxidation of iron-chromium alloys at 400 to 600 0 C in CO 2 -1%CO gas. The nature of the oxidation product depends upon crystallographic orientation and composition of the substrate, and can be explained by considering the maximum solubility of chromium in different oxide phases together with interfacial and strain energy factors. Kinetics of oxidation together with micrographic observations indicate that, as oxidation proceeds spinel oxide M 3 O 4 nucleates at sites on the substrate surface associated with asperities. The spinel nuclei grow laterally and vertically until they coalesce and the scale subsequently thickens according to a parabolic rate law. The duplex structure of scales is interpreted in terms of an outward diffusion of cations together with simultaneous growth of an inner layer in the space created by this outward movement. Scale porosity provides a route for gas-phase transport of oxidant to support the growth of the inner layer. Regularly spaced lamellar voids which may form in the inner layer are believed to be associated with a cyclic vacancy condensation process. Enrichment of the inner layer in chromium is explained by analysis of the possible diffusion path networks in close-packed oxides. Some comments are made concerning possible practical applications of these data. (author)

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

    DEFF Research Database (Denmark)

    Minzari, Daniel; Møller, Per; Kingshott, Peter

    2008-01-01

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

  4. Computational predictions of zinc oxide hollow structures

    Science.gov (United States)

    Tuoc, Vu Ngoc; Huan, Tran Doan; Thao, Nguyen Thi

    2018-03-01

    Nanoporous materials are emerging as potential candidates for a wide range of technological applications in environment, electronic, and optoelectronics, to name just a few. Within this active research area, experimental works are predominant while theoretical/computational prediction and study of these materials face some intrinsic challenges, one of them is how to predict porous structures. We propose a computationally and technically feasible approach for predicting zinc oxide structures with hollows at the nano scale. The designed zinc oxide hollow structures are studied with computations using the density functional tight binding and conventional density functional theory methods, revealing a variety of promising mechanical and electronic properties, which can potentially find future realistic applications.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2011-07-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2013-01-01

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

  7. On real structures on rigid surfaces

    International Nuclear Information System (INIS)

    Kulikov, Vik S; Kharlamov, V M

    2002-01-01

    We construct examples of rigid surfaces (that is, surfaces whose deformation class consists of a unique surface) with a particular behaviour with respect to real structures. In one example the surface has no real structure. In another it has a unique real structure, which is not maximal with respect to the Smith-Thom inequality. These examples give negative answers to the following problems: the existence of real surfaces in each deformation class of complex surfaces, and the existence of maximal real surfaces in every complex deformation class that contains real surfaces. Moreover, we prove that there are no real surfaces among surfaces of general type with p g =q=0 and K 2 =9. These surfaces also provide new counterexamples to the 'Dif = Def' problem

  8. On real structures on rigid surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Kulikov, Vik S [Steklov Mathematical Institute, Russian Academy of Sciences (Russian Federation); Kharlamov, V M [Institut de Recherche Matematique Avanee Universite Louis Pasteur et CNRS 7 rue Rene Descartes (France)

    2002-02-28

    We construct examples of rigid surfaces (that is, surfaces whose deformation class consists of a unique surface) with a particular behaviour with respect to real structures. In one example the surface has no real structure. In another it has a unique real structure, which is not maximal with respect to the Smith-Thom inequality. These examples give negative answers to the following problems: the existence of real surfaces in each deformation class of complex surfaces, and the existence of maximal real surfaces in every complex deformation class that contains real surfaces. Moreover, we prove that there are no real surfaces among surfaces of general type with p{sub g}=q=0 and K{sup 2}=9. These surfaces also provide new counterexamples to the 'Dif = Def' problem.

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

    International Nuclear Information System (INIS)

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

    2005-01-01

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

  10. Effect of Ge surface termination on oxidation behavior

    Science.gov (United States)

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

    2008-09-01

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

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

    International Nuclear Information System (INIS)

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

    2012-01-01

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

  12. Exploring the Structure of Nitrogen-Rich Ionic Liquids and Their Binding to the Surface of Oxide-Free Boron Nanoparticles

    Science.gov (United States)

    2013-01-29

    results have to be interpreted with caution. Lovelock et al.61 have shown that clean surfaces can be obtained by sputtering for the [CnC1Im][Tf2N] IL...Licence, P. Langmuir 2006, 22, 9386−9392. (58) Hurisso, B. B.; Lovelock , K. R.; Licence, P. Phys. Chem. Chem. Phys. 2011, 13, 17737−48. (59) Zhang, H.; Cui...H. Langmuir 2009, 25, 2604−2612. (60) Zhang, Q.; Ma, X.; Liu, S.; Yang, B.; Lu, L.; He, Y.; Deng, Y. J. Mater. Chem. 2011, 21, 6864. (61) Lovelock , K

  13. MR imaging of brain surface structures: Surface anatomy scanning

    International Nuclear Information System (INIS)

    Katada, K.; Koga, S.; Asahina, M.; Kanno, T.; Asahina, K.

    1987-01-01

    Preoperative evaluation of brain surface anatomy, including cortical sulci and veins, relative to cerebral and cerebellar lesions is an important subject for surgeons. Until now, no imaging modality existed that allowed direct visualization of brain surface anatomy. A new MR imaging technique (surface anatomy scanning) was developed to visualize brain surface structures. The technique uses a spin-echo pulse sequence with long repetition and echo times, thick sections and a surface coil. Cortical sulci, fissures, veins, and intracranial lesions were clearly identified with this technique. Initial clinical results indicate that surface anatomy scanning is useful for lesion localization and for detailed evaluation of cortical and subcortical lesions

  14. Surface magnetic structures in amorphous ferromagnetic microwires

    Energy Technology Data Exchange (ETDEWEB)

    Usov, N.A., E-mail: usov@obninsk.ru [National University of Science and Technology «MISIS», 119049 Moscow (Russian Federation); Pushkov Institute of Terrestrial Magnetism, Ionosphere and Radio Wave Propagation, Russian Academy of Sciences, IZMIRAN, 108840 Troitsk, Moscow (Russian Federation); Serebryakova, O.N.; Gudoshnikov, S.A. [National University of Science and Technology «MISIS», 119049 Moscow (Russian Federation); Pushkov Institute of Terrestrial Magnetism, Ionosphere and Radio Wave Propagation, Russian Academy of Sciences, IZMIRAN, 108840 Troitsk, Moscow (Russian Federation); Tarasov, V.P. [National University of Science and Technology «MISIS», 119049 Moscow (Russian Federation)

    2017-05-01

    The spatial period of magnetization perturbations that occur near the surface of magnetic nanotube or nanowire under the influence of surface magnetic anisotropy is determined by means of numerical simulation as a function of the sample geometry and material parameters. The surface magnetization distribution obtained is then used to estimate the period of the surface magnetic texture in amorphous microwire of several micrometers in diameter by means of appropriate variational procedure. The period of the surface magnetic texture in amorphous microwire is found to be significantly smaller than the wire diameter. - Highlights: • Magnetic structure may arise near the magnetic nanotube surface under the influence of surface magnetic anisotropy. • The period of the surface magnetization pattern is calculated as a function of the sample geometry. • Similar magnetic structure may exist in amorphous microwire of several micrometers in diameter. • The period of the surface magnetic structure in amorphous wire is found to be significantly smaller than the wire diameter.

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

    DEFF Research Database (Denmark)

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

    2008-01-01

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

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

    Science.gov (United States)

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

    2012-02-01

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

  17. Wide-spectral/dynamic-range skin-compatible phototransistors enabled by floated heterojunction structures with surface functionalized SWCNTs and amorphous oxide semiconductors.

    Science.gov (United States)

    Hwang, Insik; Kim, Jaehyun; Lee, Minkyung; Lee, Min-Wook; Kim, Hee-Joong; Kwon, Hyuck-In; Hwang, Do Kyung; Kim, Myunggil; Yoon, Haeyoung; Kim, Yong-Hoon; Park, Sung Kyu

    2017-11-09

    Purified semiconducting single-walled carbon nanotubes (sc-SWCNTs) have been researched for optoelectronic applications due to their high absorption coefficient from the visible to even the near-infrared (NIR) region. Nevertheless, the insufficient electrical characteristics and incompatibility with conventional CMOS processing have limited their wide utilization in this emerging field. Here, we demonstrate highly detective and wide spectral/dynamic range phototransistors incorporating floated heterojunction active layers which are composed of low-temperature sol-gel processed n-type amorphous indium gallium zinc oxide (a-IGZO) stacked with a purified p-type sc-SWCNT layer. To achieve a high and broad spectral/dynamic range photo-response of the heterogeneous transistors, photochemically functionalized sc-SWCNT layers were carefully implemented onto the a-IGZO channel area with a floating p-n heterojunction active layer, resulting in the suppression of parasitic charge leakage and good bias driven opto-electrical properties. The highest photosensitivity (R) of 9.6 × 10 2 A W -1 and a photodetectivity (D*) of 4 × 10 14 Jones along with a dynamic range of 100-180 dB were achieved for our phototransistor in the spectral range of 400-780 nm including continuous and minimal frequency independent behaviors. More importantly, to demonstrate the diverse application of the ultra-flexible hybrid photosensor platform as skin compatible electronics, the sc-SWCNT/a-IGZO phototransistors were fabricated on an ultra-thin (∼1 μm) polyimide film along with a severe static and dynamic electro-mechanical test. The skin-like phototransistors showed excellent mechanical stability such as sustainable good electrical performance and high photosensitivity in a wide dynamic range without any visible cracks or damage and little noise interference after being rolled-up on the 150 μm-thick optical fiber as well as more than 1000 times cycling.

  18. Modelling of low energy ion sputtering from oxide surfaces

    International Nuclear Information System (INIS)

    Kubart, T; Nyberg, T; Berg, S

    2010-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-04-07

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

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

    Science.gov (United States)

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

    2018-06-01

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

  1. Variation on wettability of anodic zirconium oxide nanotube surface

    International Nuclear Information System (INIS)

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

    2013-01-01

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

  2. Topological Oxide Insulator in Cubic Perovskite Structure

    Science.gov (United States)

    Jin, Hosub; Rhim, Sonny H.; Im, Jino; Freeman, Arthur J.

    2013-01-01

    The emergence of topologically protected conducting states with the chiral spin texture is the most prominent feature at the surface of topological insulators. On the application side, large band gap and high resistivity to distinguish surface from bulk degrees of freedom should be guaranteed for the full usage of the surface states. Here, we suggest that the oxide cubic perovskite YBiO3, more than just an oxide, defines itself as a new three-dimensional topological insulator exhibiting both a large bulk band gap and a high resistivity. Based on first-principles calculations varying the spin-orbit coupling strength, the non-trivial band topology of YBiO3 is investigated, where the spin-orbit coupling of the Bi 6p orbital plays a crucial role. Taking the exquisite synthesis techniques in oxide electronics into account, YBiO3 can also be used to provide various interface configurations hosting exotic topological phenomena combined with other quantum phases. PMID:23575973

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-11-30

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

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

    International Nuclear Information System (INIS)

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

    2014-01-01

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

  5. Surface-Controlled Metal Oxide Resistive Memory

    KAUST Repository

    Ke, Jr-Jian

    2015-10-28

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

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

    DEFF Research Database (Denmark)

    Tritsaris, G. A.; Rossmeisl, J.

    2012-01-01

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

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

    DEFF Research Database (Denmark)

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

    2015-01-01

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

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

    International Nuclear Information System (INIS)

    Lee, Younghwan; Park, Kibyung; Lim, Sangwoo

    2008-01-01

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

  9. 850-nm Zn-diffusion vertical-cavity surface-emitting lasers with with oxide-relief structure for high-speed and energy-efficient optical interconnects from very-short to medium (2km) reaches

    Science.gov (United States)

    Shi, Jin-Wei; Wei, Chia-Chien; Chen, Jason (Jyehong); Yang, Ying-Jay

    2015-03-01

    High-speed and "green" ~850 nm vertical-cavity surface-emitting lasers (VCSELs) have lately attracted lots of attention due to their suitability for applications in optical interconnects (OIs). To further enhance the speed and its maximum allowable linking distance of VCSELs are two major trends to meet the requirement of OI in next generation data centers. Recently, by use of the advanced 850 nm VCSEL technique, data rate as high as 64 Gbit/sec over 57m and 20 Gbit/sec over 2km MMF transmission have been demonstrated, respectively. Here, we will review our recent work about 850 nm Zn-diffusion VCSELs with oxide-relief apertures to further enhance the above-mentioned performances. By using Zn-diffusion, we can not only reduce the device resistance but also manipulate the number of optical modes to benefit transmission. Combing such device, which has excellent single-mode (SMSR >30 dB) and high-power (~7mW) performance, with advanced modulation format (OFDM), record-high bit-rate-distance-product through MMF (2.3 km×28 Gbit/sec) has been demonstrated. Furthermore, by selective etching away the oxide aperture inside Zn-diffusion VCSEL, significant enhancement of device speed, D-factor, and reliability can be observed. With such unique VCSEL structure, >40 Gbit/sec energy-efficient transmission over 100m MMF under extremely low-driving current density (<10kA/cm2) has been successfully demonstrated.

  10. Contact area measurements on structured surfaces

    DEFF Research Database (Denmark)

    Kücükyildiz, Ömer Can; Jensen, Sebastian Hoppe Nesgaard; De Chiffre, Leonardo

    In connection with the use of brass specimens featuring structured surfaces in a tribology test, an algorithm was developed for automatic measurement of the contact area by optical means.......In connection with the use of brass specimens featuring structured surfaces in a tribology test, an algorithm was developed for automatic measurement of the contact area by optical means....

  11. Photoelectric effect in surface-barrier structures

    International Nuclear Information System (INIS)

    Kononenko, V.K.; Tupenevich, P.A.

    1985-08-01

    Deviations from the Fowler law were observed when investigating photoelectric emission in p-type ZnTe surface-barrier structures. The revealed peculiarities of the structure photosensitivity spectrum are explained by the electron transitions involving surface states at the metal-semiconductor interface. (author)

  12. Impact damage reduction by structured surface geometry

    DEFF Research Database (Denmark)

    Kusano, Yukihiro; Fedorov, Vladimir; McGugan, Malcolm

    2018-01-01

    performance was observed for polyurethane-coated fibre composites with structured geometries at the back surfaces. Repeated impacts by rubber balls on the coated side caused damage and delamination of the coating. The laminates with structured back surfaces showed longer durability than those with a flat back...

  13. Moulding of Sub-micrometer Surface Structures

    DEFF Research Database (Denmark)

    Pranov, Henrik; Rasmussen, Henrik K.; Larsen, Niels Bent

    2006-01-01

    The experiments strongly suggest that the possibility to injection mould sub-micrometer surface structures in polymers mainly relates to the forces originating from the adhesive energy between polymer and shim.......The experiments strongly suggest that the possibility to injection mould sub-micrometer surface structures in polymers mainly relates to the forces originating from the adhesive energy between polymer and shim....

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2013-04-19

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

  15. Surface Embedded Metal Oxide Sensors (SEMOS)

    DEFF Research Database (Denmark)

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

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

  16. Interaction of ammonia with semiconducting oxide surfaces

    Science.gov (United States)

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

    2018-04-01

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

  17. Surface-Controlled Metal Oxide Resistive Memory

    KAUST Repository

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

    2015-01-01

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

  18. Atomic and electronic structures of novel silicon surface structures

    Energy Technology Data Exchange (ETDEWEB)

    Terry, J.H. Jr.

    1997-03-01

    The modification of silicon surfaces is presently of great interest to the semiconductor device community. Three distinct areas are the subject of inquiry: first, modification of the silicon electronic structure; second, passivation of the silicon surface; and third, functionalization of the silicon surface. It is believed that surface modification of these types will lead to useful electronic devices by pairing these modified surfaces with traditional silicon device technology. Therefore, silicon wafers with modified electronic structure (light-emitting porous silicon), passivated surfaces (H-Si(111), Cl-Si(111), Alkyl-Si(111)), and functionalized surfaces (Alkyl-Si(111)) have been studied in order to determine the fundamental properties of surface geometry and electronic structure using synchrotron radiation-based techniques.

  19. Positron Studies of Oxide-Semiconductor Structures

    OpenAIRE

    Uedono , A.; Wei , L.; Kawano , T.; Tanigawa , S.; Suzuki , R.; Ohgaki , H.; Mikado , T.

    1995-01-01

    The annihilation characteristics of positrons in SiO2 films grown on Si substrates were studied by using monoenergetic positron beams. Doppler broadening profiles of the annihilation radiation and lifetime spectra of positrons were measured as a function of incident positron energy for SiO2/Si structures fabricated by various oxidation techniques. From the measurements, it was found that the formation probability of positronium (Ps) atoms in SiO2 films strongly depends on the growth condition...

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

    DEFF Research Database (Denmark)

    Pedersen, Henrik Guldberg; Høj, Jakob Weiland

    1996-01-01

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

  1. Fractional surface termination of diamond by electrochemical oxidation.

    Science.gov (United States)

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

    2012-01-10

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

  2. Structure, stoichiometry and spectroscopy of oxide superconductors

    Science.gov (United States)

    Rao, C. N. R.

    In the new oxide superconductors, structure and oxygen stoichiometry play the most crucial role. Thus, all the high-temperature oxide superconductors are orthorhombic perovskites with low-dimensional features. Oxygen stoichiometry in YBa2Cu3O7-δ has an important bearing on the structure as well as superconductivity. This is equally true in the La3-xBa3+xCu 6O14+δ system of which only the 123 oxide (x = 1) with the orthorhombic structure shows high Tc. Orthorhombicity though not essential, is generally found ; it is necessary for the formation of twins. The nature of oxygen and copper in the cuprates has been examined by electron spectroscopy. Copper in these cuprates is only in 1 + and 2 + states. It seems likely that oxygen holes are responsible for superconductivity of the cuprates as well as Ba(Bi, Pb)O3. High Tc superconductivity is also found in oxides of the Bi-(Ca, Sr)-Cu-O and related oxides possessing Cu-O sheets. Dans les nouveaux oxydes supraconducteurs, la structure et la stoechiométrie de l'oxygène jouent un rôle absolument crucial. Ainsi, tous les oxydes supraconducteurs à haute température critique sont des pérovskites orthorhombiques possédant des propriétés de basse dimensionnalité. La stoechiométrie de l'oxygène dans YBa2Cu3O7- δ a une influence importante tant sur la structure que sur la supraconductibilité. Ceci est également valable pour les composés du type La3 -xBa3 + xCu 6O14 + δ parmi lesquels seul l'oxyde 123 (x = 1) à structure orthorhombique présente un grand T. Bien que ce ne soit pas essentiel, cette orthorhombicité est fréquente ; elle est nécessaire à la formation de macles. La nature de l'oxygène et du cuivre a été observée par spectroscopie électronique... Dans ces cuprates, le cuivre est dans les seuls états de valence + 1 et + 2. Vraisemblablement, les trous logés sur l'oxygène sont responsables de la supraconductibilité des cuprates comme de Ba(Bi, Pb)O3. La supraconductibilité existe aussi

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

    KAUST Repository

    Crumlin, Ethan J.

    2010-11-04

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

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

    KAUST Repository

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

    2010-01-01

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

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

    DEFF Research Database (Denmark)

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

    2016-01-01

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

  6. Heterogeneous nucleation of calcium oxalate on native oxide surfaces

    International Nuclear Information System (INIS)

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

    1994-04-01

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

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

    Science.gov (United States)

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

    2007-11-28

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-11-07

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

  9. The influence of the surface atomic structure on surface diffusion

    International Nuclear Information System (INIS)

    Ghaleb, Dominique

    1984-03-01

    This work represents the first quantitative study of the influence of the surface atomic structure on surface diffusion (in the range: 0.2 Tf up 0.5 Tf; Tf: melting temperature of the substrate). The analysis of our results on a microscopic scale shows low formation and migration energies for adatoms; we can describe the diffusion on surfaces with a very simple model. On (110) surfaces at low temperature the diffusion is controlled by the exchange mechanism; at higher temperature direct jumps of adatoms along the channels contribute also to the diffusion process. (author) [fr

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2010-07-15

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

  11. Structure sensitivity in CO oxidation by a single Au atom supported on ceria

    NARCIS (Netherlands)

    Song, W.; Hensen, E.J.M.

    2013-01-01

    The mechanism of CO oxidation by a CeO2(110)-supported gold atom has been investigated by DFT calculations. A novel stable surface structure has been identified in which one surface O atom of ceria migrates toward the isolated Au atom, resulting in a surface Au–O species that can react with CO.

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

    DEFF Research Database (Denmark)

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

    2012-01-01

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

  13. Diamond surface: atomic and electronic structure

    International Nuclear Information System (INIS)

    Pate, B.B.

    1984-01-01

    Experimental studies of the diamond surface (with primary emphasis on the (111) surface) are presented. Aspects of the diamond surface which are addressed include (1) the electronic structure, (2) the atomic structure, and (3) the effect of termination of the lattice by foreign atoms. Limited studies of graphite are discussed for comparison with the diamond results. Experimental results from valence band and core level photoemission spectroscopy (PES), Auger electron spectroscopy (AES), low energy electron diffraction (LEED), and carbon 1s near edge x-ray absorption fine structure (NEXAFS) spectroscopy (both the total electron yield (TEY) and Auger electron yield (AEY) techniques) are used to study and characterize both the clean and hydrogenated surface. In addition, the interaction of hydrogen with the diamond surface is examined using results from vibrational high resolution low energy electron loss spectroscopy (in collaboration with Waclawski, Pierce, Swanson, and Celotta at the National Bureau of Standards) and photon stimulated ion desorption (PSID) yield at photon energies near the carbon k-edge (hv greater than or equal to 280 eV). Both EELS and PSID verify that the mechanically polished 1 x 1 surface is hydrogen terminated and also that the reconstructed surface is hydrogen free. The (111) 2 x 2/2 x 1 reconstructed surface is obtained from the hydrogenated (111) 1 x 1:H surface by annealing to approx. = 1000 0 C. We observe occupied intrinsic surface states and a surface chemical shift (0.95 +- 0.1 eV) to lower binding energy of the carbon 1s level on the hydrogen-free reconstructed surface. Atomic hydrogen is found to be reactive with the reconstructed surface, while molecular hydrogen is relatively inert. Exposure of the reconstructed surface to atomic hydrogen results in chemisorption of hydrogen and removal of the intrinsic surface state emission in and near the band gap region

  14. Unoccupied surface electronic structure of Gd(0001)

    International Nuclear Information System (INIS)

    Li, D.; Dowben, P.A.; Ortega, J.E.; Himpsel, F.J.

    1994-01-01

    The unoccupied surface electronic structure of Gd(0001) was investigated with high-resolution inverse-photoemission spectroscopy. An empty surface state near E F is observed at bar Γ. Two other surface-sensitive features are also revealed at 1.2 and 3.1 eV above the Fermi level. Hydrogen adsorption on Gd surfaces was used to distinguish the surface-sensitive features from the bulk features. The unoccupied bulk-band critical points are determined to be Γ 3 + at 1.9 eV and A 1 at 0.8 eV

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

    DEFF Research Database (Denmark)

    Shashoua, Yvonne

    2012-01-01

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

  16. Novel exchange mechanisms in the surface diffusion of oxides

    International Nuclear Information System (INIS)

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

    2004-01-01

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

  17. Surface characterization of low-temperature grown yttrium oxide

    Science.gov (United States)

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

    2018-04-01

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

  18. Influence of substrate preparation on the shaping of the topography of the surface of nanoceramic oxide layers

    Science.gov (United States)

    Bara, Marek; Kubica, Marek

    2014-02-01

    The paper discusses the shaping mechanism and changes occurring in the structure and topography of the surface of nanoceramic oxide layers during their formation. The paper presents the influence of substrate preparation on the surface topography of oxide layers. The layers were produced via hard anodizing on the EN AW-5251 aluminum alloy. The layers obtained were subjected to microscope examinations, image and chemical composition analyses, and stereometric examinations. Heredity of substrate properties in the topography of the surface of nanoceramic oxide layers formed as a result of electrochemical oxidation has been shown.

  19. Surface Chloride Levels in Colorado Structural Concrete

    Science.gov (United States)

    2018-01-01

    This project focused on the chloride-induced corrosion of reinforcing steel in structural concrete. The primary goal of this project is to analyze the surface chloride concentration level of the concrete bridge decks throughout Colorado. The study in...

  20. Architectural Surfaces and Structures from Circular Arcs

    KAUST Repository

    Shi, Ling

    2013-01-01

    the most attention from geometry researchers. In this thesis, we aim to realize this process with simple geometric primitives, circular arcs. We investigate architectural surfaces and structures consisting of circular arcs. Our focus is lying on how

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

    Science.gov (United States)

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

    2014-01-30

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

  2. Electrochemical Properties of High Surface Area Vanadium Oxide Aerogels

    National Research Council Canada - National Science Library

    Dong, Winny

    2001-01-01

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

  3. Designing visual appearance using a structured surface

    DEFF Research Database (Denmark)

    Johansen, Villads Egede; Thamdrup, Lasse Højlund; Smitrup, Christian

    2015-01-01

    followed by numerical and experimental verification. The approach comprises verifying all design and fabrication steps required to produce a desired appearance. We expect that the procedure in the future will yield structurally colored surfaces with appealing prescribed visual appearances.......We present an approach for designing nanostructured surfaces with prescribed visual appearances, starting at design analysis and ending with a fabricated sample. The method is applied to a silicon wafer structured using deep ultraviolet lithography and dry etching and includes preliminary design...

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

    NARCIS (Netherlands)

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

    2014-01-01

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

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

    International Nuclear Information System (INIS)

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

    1984-06-01

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

  6. Electronic structure of the copper oxides

    International Nuclear Information System (INIS)

    Pickett, W.E.; Cohen, R.E.; Singh, D.; Krakauer, H.

    1989-01-01

    Since the discovery of the high temperature superconducting copper oxides a great deal has been learned from experiment about their behavior. From the theoretical side, there continues to be developments both within the band picture and from the model Hamiltonian viewpoint emphasizing correlations. In this paper the authors discuss these complementary viewpoints in relation to some of the experimental data. Due to their background in the band structure area, they approach the discussion by evaluating which phenomena can be (or has been) accounted for by the standard band approach, and point out which properties appear to require more intricate treatments of correlation

  7. Structural phase transitions in niobium oxide nanocrystals

    Science.gov (United States)

    Yuvakkumar, R.; Hong, Sun Ig

    2015-09-01

    Niobium oxide nanocrystals were successfully synthesized employing the green synthesis method. Phase formation, microstructure and compositional properties of 1, 4 and 7 days incubation treated samples after calcinations at 450 °C were examined using X-ray diffraction, Raman, photoluminescence (PL), infrared, X-ray photoelectron spectra and transmission electron microscopic characterizations. It was observed that phase formation of Nb2O5 nanocrystals was dependent upon the incubation period required to form stable metal oxides. The characteristic results clearly revealed that with increasing incubation and aging, the transformation of cubic, orthorhombic and monoclinic phases were observed. The uniform heating at room temperature (32 °C) and the ligation of niobium atoms due to higher phenolic constituents of utilized rambutan during aging processing plays a vital role in structural phase transitions in niobium oxide nanocrystals. The defects over a period of incubation and the intensities of the PL spectra changing over a period of aging were related to the amount of the defects induced by the phase transition.

  8. Photoinduced hydrophobic surface of graphene oxide thin films

    International Nuclear Information System (INIS)

    Zhang Xiaoyan; Song Peng; Cui Xiaoli

    2012-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-01-01

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

  10. 30 CFR 75.1708-1 - Surface structures; fireproof construction.

    Science.gov (United States)

    2010-07-01

    ... 30 Mineral Resources 1 2010-07-01 2010-07-01 false Surface structures; fireproof construction. 75... Surface structures; fireproof construction. Structures of fireproof construction is interpreted to mean structures with fireproof exterior surfaces. ...

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

    Science.gov (United States)

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

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

    Science.gov (United States)

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

    2017-09-01

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

  13. Sub-µm structured lotus surfaces manufacturing

    DEFF Research Database (Denmark)

    Worgull, Matthias; Heckele, Mathias; Mappes, Timo

    2009-01-01

    . Unlike to stochastic methods, patterning with a LIGA-mold insert it is possible to structure surfaces very uniformly or even with controlled variations (e.g., with gradients). In this paper we present the process chain to realize polymer sub-lm structures with minimum lateral feature size of 400 nm...

  14. Sub-µ structured Lotus Surfaces Manufacturing

    DEFF Research Database (Denmark)

    Worgull, Matthias; Heckele, Mathias; Mappes, Timo

    2008-01-01

    . Unlike to stochastic methods, patternin¬g with a LIGA-mold insert it is possible to structure surfaces very uniformly or even with controlled variations (e.g. with gradients). In this paper we present the process chain to realize polymer sub-micro structures with minimum lateral feature size of 400 nm...

  15. MR imaging of brain surface structures

    International Nuclear Information System (INIS)

    Katada, Kazuhiro; Anno, Hirofumi; Takesita, Gen; Koga, Sukehiko; Kanno, Tetuo; Sakakibara, Tatuo; Yamada, Kazuhiro; Suzuki, Hirokazu; Saito, Sigeki.

    1989-01-01

    An imaging technique that permits direct and non-invasive visualization of brain surface structures was proposed. This technique (Surface anatomy scanning, SAS) consists of long TE-long TR spin echo sequence, thick slice and surface coil. Initial clinical trials in 31 patients with various cerebral pathology showed excellent visualization of sulci, gyri and major cortical veins on the lateral surface of the brain together with cortical and subcortical lesions. Our preliminary results indicate that the SAS is an effective method for the diagnosis and localization of cortical and subcortical pathology, and the possible application of SAS to the surgical and the radiation therapy planning is sugessted. (author)

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

    Directory of Open Access Journals (Sweden)

    Adriana Ibarra-Hernández

    2018-02-01

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

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

    Directory of Open Access Journals (Sweden)

    Thomas König

    2011-01-01

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

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

    International Nuclear Information System (INIS)

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

    1981-01-01

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

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

    Science.gov (United States)

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

    2017-05-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1979-11-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-04-01

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

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

    International Nuclear Information System (INIS)

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

    2017-01-01

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

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

    Directory of Open Access Journals (Sweden)

    Carvalho Luisa

    2017-01-01

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

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

    Science.gov (United States)

    Entringer, Anthony G.

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2012-01-01

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

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

    Science.gov (United States)

    Schneider, Julian; Ciacchi, Lucio Colombi

    2011-02-08

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

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

    NARCIS (Netherlands)

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

    1996-01-01

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

  8. Mechanical Properties of Glass Surfaces Coated with Tin Oxide

    DEFF Research Database (Denmark)

    Swindlehurst, W. E.; Cantor, B.

    1978-01-01

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

  9. Ceramic coated Y1 magnesium alloy surfaces by microarc oxidation

    Indian Academy of Sciences (India)

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-01-30

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

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

    Science.gov (United States)

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

    2017-05-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-10-06

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

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

    CERN Document Server

    Song, J H; Choi, W K

    2002-01-01

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

  14. Electronic structure of indium-tungsten-oxide alloys and their energy band alignment at the heterojunction to crystalline silicon

    Science.gov (United States)

    Menzel, Dorothee; Mews, Mathias; Rech, Bernd; Korte, Lars

    2018-01-01

    The electronic structure of thermally co-evaporated indium-tungsten-oxide films is investigated. The stoichiometry is varied from pure tungsten oxide to pure indium oxide, and the band alignment at the indium-tungsten-oxide/crystalline silicon heterointerface is monitored. Using in-system photoelectron spectroscopy, optical spectroscopy, and surface photovoltage measurements, we show that the work function of indium-tungsten-oxide continuously decreases from 6.3 eV for tungsten oxide to 4.3 eV for indium oxide, with a concomitant decrease in the band bending at the hetero interface to crystalline silicon than indium oxide.

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

    DEFF Research Database (Denmark)

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

    1997-01-01

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

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

    Science.gov (United States)

    Nadesalingam, Manori

    2005-03-01

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

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

    International Nuclear Information System (INIS)

    You, H.; Nagy, Z.

    1993-06-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-08-31

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

  19. Reversible Compositional Control of Oxide Surfaces by Electrochemical Potentials

    KAUST Repository

    Mutoro, Eva

    2012-01-05

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

  20. Study of the tunnelling initiated leakage current through the carbon nanotube embedded gate oxide in metal oxide semiconductor structures

    International Nuclear Information System (INIS)

    Chakraborty, Gargi; Sarkar, C K; Lu, X B; Dai, J Y

    2008-01-01

    The tunnelling currents through the gate dielectric partly embedded with semiconducting single-wall carbon nanotubes in a silicon metal-oxide-semiconductor (MOS) structure have been investigated. The application of the gate voltage to such an MOS device results in the band bending at the interface of the partly embedded oxide dielectric and the surface of the silicon, initiating tunnelling through the gate oxide responsible for the gate leakage current whenever the thickness of the oxide is scaled. A model for silicon MOS structures, where carbon nanotubes are confined in a narrow layer embedded in the gate dielectric, is proposed to investigate the direct and the Fowler-Nordheim (FN) tunnelling currents of such systems. The idea of embedding such elements in the gate oxide is to assess the possibility for charge storage for memory device applications. Comparing the FN tunnelling onset voltage between the pure gate oxide and the gate oxide embedded with carbon nanotubes, it is found that the onset voltage decreases with the introduction of the nanotubes. The direct tunnelling current has also been studied at very low gate bias, for the thin oxide MOS structure which plays an important role in scaling down the MOS transistors. The FN tunnelling current has also been studied with varying nanotube diameter

  1. Projective and superconformal structures on surfaces

    International Nuclear Information System (INIS)

    Harvey, W.J.

    1990-01-01

    Much attention has recently been given to the study of super Riemann surfaces. Detailed accounts of these objects and their infinitesimal deformation theory are referenced where they are fitted into the framework of complex supermanifolds, superconformal structures and graded sheaves. One difficulty, which seems even more of a barrier than in the case of classical deformations of Riemann surface structure, is the lack of a good global description of super-moduli spaces. In this note, we outline an approach which places the theory in the classical setting of projective structures on variable Riemann surfaces. We explain how to construct a distribution (family of vector subspaces) inside the holomorphic cotangent space to the moduli space M g of Riemann surfaces with genus g and furnished with a level-4 homology structure, such that the corresponding rank-(2g-2) complex vector bundle models the soul deformations of a family of super-Riemann surfaces. The keystone in this construction is the existence of holomorphic sections for the space of non-singular odd theta characteristics on C g the universal curve over M g . (author)

  2. Surface band structures on Nb(001)

    International Nuclear Information System (INIS)

    Fang, B.; Lo, W.; Chien, T.; Leung, T.C.; Lue, C.Y.; Chan, C.T.; Ho, K.M.

    1994-01-01

    We report the joint studies of experimental and theoretical surface band structures of Nb(001). Angle-resolved photoelectron spectroscopy was used to determine surface-state dispersions along three high-symmetry axes bar Γ bar M, bar Γ bar X, and bar M bar X in the surface Brillouin zone. Ten surface bands have been identified. The experimental data are compared to self-consistent pseudopotential calculations for the 11-layer Nb(001) slabs that are either bulk terminated or fully relaxed (with a 12% contraction for the first interlayer spacing). The band calculations for a 12% surface-contracted slab are in better agreement with the experimental results than those for a bulk-terminated slab, except for a surface resonance near the Fermi level, which is related to the spin-orbit interaction. The charge profiles for all surface states or resonances have been calculated. Surface contraction effects on the charge-density distribution and the energy position of surface states and resonances will also be discussed

  3. Laminated structure in internally oxidized Ru-Ta coatings

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Yung-I, E-mail: yichen@mail.ntou.edu.tw

    2012-12-01

    During the development of refractory alloy coatings for protective purposes at high temperature under oxygen-containing atmospheres, previous studies noted and examined the internal oxidation phenomenon for Mo-Ru and Ru-Ta coatings. The internally oxidized zone shows a laminated structure, consisting of alternating oxygen-rich and deficient layers stacked with a general orientation. Previous studies proposed a forming mechanism. To investigate in detail, Ru-Ta coatings were prepared with various rotating speeds of a substrate-holder. The coatings were annealed at 600 Degree-Sign C in an atmosphere continuously purged with 1% O{sub 2}-99% Ar mixed gas for 30 min. Transmission electron microscopy was used to examine the laminated-layer periods. Auger electron spectroscopy depth profiles certified the periodical variation of the related constituents. X-ray photoelectron spectroscopy proved the valence variation of Ta in the near surface, accompanied by the introduction of oxygen ions. The inward diffusion of oxygen was dominated by lattice diffusion. - Highlights: Black-Right-Pointing-Pointer Laminated Ru-Ta coatings consisted of a cyclical gradient concentration. Black-Right-Pointing-Pointer The as-deposited coatings showed a laminated structure with a period of 4-34 nm. Black-Right-Pointing-Pointer Internal oxidation of Ru-Ta coatings executed after annealing in 1% O{sub 2}-Ar atmosphere. Black-Right-Pointing-Pointer Oxygen inward diffusion was dominated by lattice diffusion.

  4. Capacitance-Voltage Characterization of La2O3 Metal-Oxide-Semiconductor Structures on In0.53Ga0.47As Substrate with Different Surface Treatment Methods

    Science.gov (United States)

    Zade, Dariush; Kanda, Takashi; Yamashita, Koji; Kakushima, Kuniyuki; Nohira, Hiroshi; Ahmet, Parhat; Tsutsui, Kazuo; Nishiyama, Akira; Sugii, Nobuyuki; Natori, Kenji; Hattori, Takeo; Iwai, Hiroshi

    2011-10-01

    We studied InGaAs surface treatment using hexamethyldisilazane (HMDS) vapor or (NH4)2S solution after initial oxide removal by hydrofluoric acid. The effect of each treatment on interface properties of La2O3/In0.53Ga0.47As metal-oxide-semiconductor (MOS) capacitor was evaluated. We found that HMDS surface treatment of InGaAs, followed by La2O3 deposition and forming gas annealing reduces the MOS capacitor's interface state density more effectively than (NH4)2S treatment. The comparison of the capacitance-voltage data shows that the HMDS-treated sample reaches a maximum accumulation capacitance of 2.3 µF/cm2 at 1 MHz with roughly 40% less frequency dispersion near accumulation, than the sample treated with (NH4)2S solution. These results suggest that process optimization of HMDS application could lead to further improvement of InGaAs MOS interface, thereby making it a potential routine step for InGaAs surface passivation.

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

    Directory of Open Access Journals (Sweden)

    Carvalho Luisa

    2017-01-01

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

  6. Narrow titanium oxide nanowires induced by femtosecond laser pulses on a titanium surface

    Energy Technology Data Exchange (ETDEWEB)

    Li, Hui; Li, Xian-Feng [Laboratory of Nanophotonic Functional Materials and Devices, School of Information and Optoelectronic Science and Engineering, South China Normal University, Guangzhou 510006 (China); Zhang, Cheng-Yun [School of Physics and Electronic Engineering, Guangzhou University, Guangzhou 510006 (China); Tie, Shao-Long [School of Chemistry and Environment, South China Normal University, Guangzhou 510006 (China); Lan, Sheng, E-mail: slan@scnu.edu.cn [Laboratory of Nanophotonic Functional Materials and Devices, School of Information and Optoelectronic Science and Engineering, South China Normal University, Guangzhou 510006 (China)

    2017-02-28

    Highlights: • Titanium oxide nanowires with a feature width as narrow as ∼20 nm were induced on a titanium surface by using femtosecond laser pulses at 400 nm. • An evolution of the surface structure from a high spatial frequency laser-induced periodic structure parallel to the laser polarization to a low spatial frequency one perpendicular to the laser polarization was observed with increasing irradiation pulse number. • The formation of the titanium oxide nanowires was confirmed by the energy dispersive spectroscopy measurements and the evolution of the surface structure was successfully interpreted by using the efficacy factor theory. - Abstract: The evolution of the nanostructure induced on a titanium (Ti) surface with increasing irradiation pulse number by using a 400-nm femtosecond laser was examined by using scanning electron microscopy. High spatial frequency periodic structures of TiO{sub 2} parallel to the laser polarization were initially observed because of the laser-induced oxidation of the Ti surface and the larger efficacy factor of TiO{sub 2} in this direction. Periodically aligned TiO{sub 2} nanowires with featured width as small as 20 nm were obtained. With increasing pulse number, however, low spatial frequency periodic structures of Ti perpendicular to the laser polarization became dominant because Ti possesses a larger efficacy factor in this direction. The competition between the high- and low-spatial frequency periodic structures is in good agreement with the prediction of the efficacy factor theory and it should also be observed in the femtosecond laser ablation of other metals which are easily oxidized in air.

  7. Correlation between locally deformed structure and oxide film properties in austenitic stainless steel irradiated with neutrons

    Energy Technology Data Exchange (ETDEWEB)

    Chimi, Yasuhiro, E-mail: chimi.yasuhiro@jaea.go.jp [Japan Atomic Energy Agency (JAEA), 2-4 Shirakata, Tokai-mura, Naka-gun, Ibaraki 319-1195 (Japan); Kitsunai, Yuji [Nippon Nuclear Fuel Development, 2163 Narita-cho, Oarai-machi, Higashi-ibaraki-gun, Ibaraki 311-1313 (Japan); Kasahara, Shigeki [Japan Atomic Energy Agency (JAEA), 2-4 Shirakata, Tokai-mura, Naka-gun, Ibaraki 319-1195 (Japan); Chatani, Kazuhiro; Koshiishi, Masato [Nippon Nuclear Fuel Development, 2163 Narita-cho, Oarai-machi, Higashi-ibaraki-gun, Ibaraki 311-1313 (Japan); Nishiyama, Yutaka [Japan Atomic Energy Agency (JAEA), 2-4 Shirakata, Tokai-mura, Naka-gun, Ibaraki 319-1195 (Japan)

    2016-07-15

    To elucidate the mechanism of irradiation-assisted stress corrosion cracking (IASCC) in high-temperature water for neutron-irradiated austenitic stainless steels (SSs), the locally deformed structures, the oxide films formed on the deformed areas, and their correlation were investigated. Tensile specimens made of irradiated 316L SSs were strained 0.1%–2% at room temperature or at 563 K, and the surface structures and crystal misorientation among grains were evaluated. The strained specimens were immersed in high-temperature water, and the microstructures of the oxide films on the locally deformed areas were observed. The appearance of visible step structures on the specimens' surface depended on the neutron dose and the applied strain. The surface oxides were observed to be prone to increase in thickness around grain boundaries (GBs) with increasing neutron dose and increasing local strain at the GBs. No penetrative oxidation was observed along GBs or along surface steps. - Highlights: • Visible step structures depend on the neutron dose and the applied strain. • Local strain at grain boundaries was accumulated with the neutron dose. • Oxide thickness increases with neutron dose and local strain at grain boundaries. • No penetrative oxidation was observed along grain boundaries or surface steps.

  8. Robust biomimetic-structural superhydrophobic surface on aluminum alloy.

    Science.gov (United States)

    Li, Lingjie; Huang, Tao; Lei, Jinglei; He, Jianxin; Qu, Linfeng; Huang, Peiling; Zhou, Wei; Li, Nianbing; Pan, Fusheng

    2015-01-28

    The following facile approach has been developed to prepare a biomimetic-structural superhydrophobic surface with high stabilities and strong resistances on 2024 Al alloy that are robust to harsh environments. First, a simple hydrothermal treatment in a La(NO3)3 aqueous solution was used to fabricate ginkgo-leaf like nanostructures, resulting in a superhydrophilic surface on 2024 Al. Then a low-surface-energy compound, dodecafluoroheptyl-propyl-trimethoxylsilane (Actyflon-G502), was used to modify the superhydrophilic 2024 Al, changing the surface character from superhydrophilicity to superhydrophobicity. The water contact angle (WCA) of such a superhydrophobic surface reaches up to 160°, demonstrating excellent superhydrophobicity. Moreover, the as-prepared superhydrophobic surface shows high stabilities in air-storage, chemical and thermal environments, and has strong resistances to UV irradiation, corrosion, and abrasion. The WCAs of such a surface almost remain unchanged (160°) after storage in air for 80 days, exposure in 250 °C atmosphere for 24 h, and being exposed under UV irradiation for 24 h, are more than 144° whether in acidic or alkali medium, and are more than 150° after 48 h corrosion and after abrasion under 0.98 kPa for 1000 mm length. The remarkable durability of the as-prepared superhydrophobic surface can be attributed to its stable structure and composition, which are due to the existence of lanthanum (hydr)oxides in surface layer. The robustness of the as-prepared superhydrophobic surface to harsh environments will open their much wider applications. The fabricating approach for such robust superhydrophobic surface can be easily extended to other metals and alloys.

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

    Science.gov (United States)

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

    2015-05-04

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

  10. Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces

    DEFF Research Database (Denmark)

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

    2011-01-01

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

  11. Opposing effects of humidity on rhodochrosite surface oxidation.

    Science.gov (United States)

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

    2015-03-03

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

  12. Surface functionalization of carbon nanofibers by sol-gel coating of zinc oxide

    Energy Technology Data Exchange (ETDEWEB)

    Shao Dongfeng [Key Laboratory of Eco-textiles, Ministry of Education, Jiangnan University, Wuxi 214122 (China); Changzhou Textile Garment Institute, Changzhou 213164 (China); Wei Qufu [Key Laboratory of Eco-textiles, Ministry of Education, Jiangnan University, Wuxi 214122 (China)], E-mail: qfwei@jiangnan.edu.cn; Zhang Liwei; Cai Yibing; Jiang Shudong [Key Laboratory of Eco-textiles, Ministry of Education, Jiangnan University, Wuxi 214122 (China)

    2008-08-15

    In this paper the functional carbon nanofibers were prepared by the carbonization of ZnO coated PAN nanofibers to expand the potential applications of carbon nanofibers. Polyacrylonitrile (PAN) nanofibers were obtained by electrospinning. The electrospun PAN nanofibers were then used as substrates for depositing the functional layer of zinc oxide (ZnO) on the PAN nanofiber surfaces by sol-gel technique. The effects of coating, pre-oxidation and carbonization on the surface morphology and structures of the nanofibers were characterized by X-ray diffraction (XRD), Fourier transform infrared (FTIR) and Scanning electron microscopy (SEM), respectively. The results of SEM showed a significant increase of the size of ZnO nanograins on the surface of nanofibers after the treatments of coating, pre-oxidation and carbonization. The observations by SEM also revealed that ZnO nanoclusters were firmly and clearly distributed on the surface of the carbon nanofibers. FTIR examination also confirmed the deposition of ZnO on the surface of carbon nanofibers. The XRD analysis indicated that the crystal structure of ZnO nanograins on the surface of carbon nanofibers.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-12-15

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

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

    Science.gov (United States)

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

    2014-11-01

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

  15. ‘Action’ on structured freeform surfaces

    Science.gov (United States)

    Whitehouse, David J.

    2018-06-01

    Surfaces are becoming more complex partly due to the more complicated function required of them and partly due to the introduction of different manufacturing processes. These have thrown into relief the need to consider new ways of measuring and characterizing such surfaces and more importantly to make such characterization more relevant by tying together the geometry and the function more closely. The surfaces which have freeform and structure have been chosen to be a carrier for this investigation because so far there has been little work carried out in this neglected but potentially important area. This necessitates the development of a strategy for their characterization. In this article, some ways have been found of identifying possible strategies for tackling this characterization problem but also linking this characterization to performance and manufacture, based in part on the principles of least action and on the way that nature has evolved to solve the marriage of flexible freeform geometry, structure and function. Recommendations are made for the most suitable surface parameter to use which satisfies the requirement for characterizing structured freeform surfaces as well as utilizing ‘Action’ to predict functionality.

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

    Science.gov (United States)

    Barthwal, Sumit; Lim, Si-Hyung

    2015-02-01

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

  17. Surface oxidation phenomena of boride coatings grown on iron

    International Nuclear Information System (INIS)

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

    1992-01-01

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

  18. Mechanism of glucose electrochemical oxidation on gold surface

    KAUST Repository

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

    2010-01-01

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

  19. Mechanism of glucose electrochemical oxidation on gold surface

    KAUST Repository

    Pasta, Mauro

    2010-08-01

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

  20. Multiresolution Computation of Conformal Structures of Surfaces

    Directory of Open Access Journals (Sweden)

    Xianfeng Gu

    2003-10-01

    Full Text Available An efficient multiresolution method to compute global conformal structures of nonzero genus triangle meshes is introduced. The homology, cohomology groups of meshes are computed explicitly, then a basis of harmonic one forms and a basis of holomorphic one forms are constructed. A progressive mesh is generated to represent the original surface at different resolutions. The conformal structure is computed for the coarse level first, then used as the estimation for that of the finer level, by using conjugate gradient method it can be refined to the conformal structure of the finer level.

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

    International Nuclear Information System (INIS)

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

    2014-01-01

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

  2. Craterlike structures on the laser cut surface

    Science.gov (United States)

    Shulyatyev, V. B.; Orishich, A. M.

    2017-10-01

    Analysis of the laser cut surface morphology remain topical. It is related with the fact that the surface roughness is the main index of the cut quality. The present paper deals with the experimental study of the relatively unstudied type of defects on the laser cut surface, dimples, or craters. According to the measurement results, amount of craters per unit of the laser cut surface area rises as the sheet thickness rises. The crater diameter rises together with the sheet thickness and distance from the upper sheet edge. The obtained data permit concluding that the defects like craters are observed predominantly in the case of thick sheets. The results agree with the hypothesis of crater formation as impact structures resulting from the melt drops getting on the cut channel walls upon separation from the cut front by the gas flow.

  3. Nuclear microanalysis of oxide films on structural steel

    International Nuclear Information System (INIS)

    Istomin, I.V.; Karabash, V.A.; Maisyukov, V.D.; Sosnin, A.N.; Shorin, V.S.

    1989-01-01

    Studies of the behavior of structural materials in nuclear power plants have indicated the important role of oxide films on metals, especially metals of the iron group. The films may be formed as a result of the corrosion of the metal in an aggressive coolant. At the same time, some oxide films have anticorrosive properties and can be produced specially by the introduction of inhibitor-passivators, e.g., molecular oxygen, into the aggressive medium. Experimental data on the film growth rate make it possible to determine the kinetics of the oxidation process, the nature of the diffusion of the main components through the film, and the role of the phase transitions (crystal-chemical transformations) and point defects during the migration of oxygen and metal ions through the oxide. In this study nuclear microanalysis is used to measure the parameters of oxide films formed on 10Cr2Mo and 1Cr18Ni10Ti steels in steam in the temperature range 320-620C. In this method the film parameters in the general analysis of the energy spectra of deuterons back-scattered from iron nuclei and protons in the case of the 16 O(d,p 1 ) 17 O nuclear reaction. With this approach and an initial deuteron energy E o = 0.9 MeV the range of the measurable thickness t of the films is 0.001-1.5 mg/cm 2 . The data obtained not only confirm the high sensitivity of the nuclear microanalysis method but also demonstrate that it can be used for nondestructive quality control of the surface

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-06-25

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

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

    International Nuclear Information System (INIS)

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

    2003-01-01

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

  6. Surface oxidation of porous ZrB2-SiC ceramic composites by continuous-wave ytterbium fibre laser

    International Nuclear Information System (INIS)

    Mahmod, Dayang Salyani Abang; Glandut, Nicolas; Khan, Amir Azam; Labbe, Jean-Claude

    2015-01-01

    Highlights: • Surface oxidation of ZrB 2 -SiC ceramic composites by Yb-fibre laser. • Round spiral laser pattern created for the surface oxidation. • Presence of laser-formed oxide scale and unaffected beneath regions. • Crazed but uncracked surface oxide. • A dense glassy SiO 2 -rich layer exhibited enhances oxidation resistance. - Abstract: Surface treatment of ceramic substrates by a laser beam can allow to incorporate interesting properties to these ceramics. In the present work, surface oxidation of ca. 30% porous ZrB 2 -SiC ceramic composites by using an ytterbium fibre laser was conducted. Oxidation of ceramic substrates through this process under ambient conditions has certain advantages compared to the classical oxidation method. A particular spiral laser pattern was created in order to produce an oxidized structure on ZrB 2 -SiC porous substrates. The laser parameters were as follows i.e., laser power of 50, 60 and 70 W, a beam diameter of 1.25 mm, velocity of 2 mm/s, acceleration and deceleration of 1 mm/s 2 . The microstructural and morphological changes in the laser-treated region was examined using scanning electron microscopy, energy dispersive X-ray spectroscopy, and X-ray diffraction. At laser power of 70 W, the sample exhibits uniform oxidation. It revealed that the very porous bulk beneath remained unaffected and unoxidized because this laser-formed oxide scale protects the substrate from oxidation. The presence of oxidized and unaffected regions indicated a high degree of heat localization. The dense glassy SiO 2 -rich layer prevents the inward oxygen diffusion into the inner bulk hence enhances the oxidation resistance.

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

    Science.gov (United States)

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

    1990-05-01

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

  8. Study of Nb-oxide Nb-Pb film structures by tunnel scanning microscope

    International Nuclear Information System (INIS)

    Golyamina, E.M.; Troyanovskij, A.M.

    1986-01-01

    The surface of niobium films, which were earlier used to create niobium-niobium oxide-lead film structures on their base, was investigated, using tunnel scanning microscope. The results obtained agree well with the observed properties of these structures, containing josephson and tunnel junctions

  9. The role of oxide structure on copper wire to the rubber adhesion

    Science.gov (United States)

    Su, Yea-Yang; Shemenski, Robert M.

    2000-07-01

    Most metals have an oxide layer on the surface. However, the structure of the oxide varies with the matrix composition, and depends upon the environmental conditions. A bronze coating, nominal composition of 98.5% Cu and balance of Sn, is applied to steel wire for reinforcing pneumatic tire beads and to provide adhesion to rubber. This work studied the influence of copper oxides on the bronze coating on adhesion during vulcanization. To emphasize the oxide structures, electrolytic tough pitch (ETP) copper wire was used instead of the traditional bronze-coated tire bead wire. Experimental results confirmed the hypothesis that cuprous oxide (Cu 2O) could significantly improve bonding between copper wire and rubber, and demonstrated that the interaction between rubber and oxide layer on wire is an electrochemical reaction.

  10. Structural and optical properties of electrodeposited molybdenum oxide thin films

    International Nuclear Information System (INIS)

    Patil, R.S.; Uplane, M.D.; Patil, P.S.

    2006-01-01

    Electrosynthesis of Mo(IV) oxide thin films on F-doped SnO 2 conducting glass (10-20/Ω/□) substrates were carried from aqueous alkaline solution of ammonium molybdate at room temperature. The physical characterization of as-deposited films carried by thermogravimetric/differential thermogravimetric analysis (TGA/DTA), infrared spectroscopy and X-ray diffraction (XRD) showed the formation of hydrous and amorphous MoO 2 . Scanning electron microscopy (SEM) revealed a smooth but cracked surface with multi-layered growth. Annealing of these films in dry argon at 450 deg. C for 1 h resulted into polycrystalline MoO 2 with crystallites aligned perpendicular to the substrate. Optical absorption study indicated a direct band gap of 2.83 eV. The band gap variation consistent with Moss rule and band gap narrowing upon crystallization was observed. Structure tailoring of as-deposited thin films by thermal oxidation in ambient air to obtain electrochromic Mo(VI) oxide thin films was exploited for the first time by this novel route. The results of this study will be reported elsewhere

  11. Micromechanism of oxygen transport during initial stage oxidation in Si(100) surface: A ReaxFF molecular dynamics simulation study

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Yu, E-mail: yu.sun@xjtu.edu.cn [State Key Laboratory for Manufacturing Systems Engineering, School of Mechanical Engineering, Xi’an Jiaotong University, Xi’an 710049 (China); Institute for Computational Mechanics and Its Applications, Northwestern Polytechnical University, Xi’an 710072 (China); Liu, Yilun [State Key Laboratory for Strength and Vibration of Mechanical Structures, School of Aerospace Engineering, Xi’an Jiaotong University, Xi’an 710049 (China); Chen, Xuefeng; Zhai, Zhi [State Key Laboratory for Manufacturing Systems Engineering, School of Mechanical Engineering, Xi’an Jiaotong University, Xi’an 710049 (China); Xu, Fei [Institute for Computational Mechanics and Its Applications, Northwestern Polytechnical University, Xi’an 710072 (China); Liu, Yijun [Institute for Computational Mechanics and Its Applications, Northwestern Polytechnical University, Xi’an 710072 (China); Mechanical Engineering, University of Cincinnati, Cincinnati, OH 45221-0072 (United States)

    2017-06-01

    Highlights: • A competition mechanism between thermal actuation and compressive stress blocking was found for the oxygen transport. • At low temperature, a compressive stress was generated in the oxide layer which blocked oxygen transport into the deeper region. • O atoms gained larger possibility to go deeper inward as temperature increase. • The related film quality was well explained by the competition mechanism. - Abstract: The early stage oxidation in Si(100) surface has been investigated in this work by a reactive force field molecular dynamics (ReaxFF MD) simulation, manifesting that the oxygen transport acted as a dominant issue for initial oxidation process. Due to the oxidation, a compressive stress was generated in the oxide layer which blocked the oxygen transport perpendicular to the Si(100) surface and further prevented oxidation in the deeper layer. In contrast, thermal actuation was beneficial to the oxygen transport into deeper layer as temperature increases. Therefore, a competition mechanism was found for the oxygen transport during early stage oxidation in Si(100) surface. At room temperature, the oxygen transport was governed by the blocking effect of compressive stress, so a better quality oxide film with more uniform interface and more stoichiometric oxide structure was obtained. Indeed, the mechanism presented in this work is also applicable for other self-limiting oxidation (e.g. metal oxidation) and is helpful for the design of high-performance electronic devices.

  12. Micromechanism of oxygen transport during initial stage oxidation in Si(100) surface: A ReaxFF molecular dynamics simulation study

    International Nuclear Information System (INIS)

    Sun, Yu; Liu, Yilun; Chen, Xuefeng; Zhai, Zhi; Xu, Fei; Liu, Yijun

    2017-01-01

    Highlights: • A competition mechanism between thermal actuation and compressive stress blocking was found for the oxygen transport. • At low temperature, a compressive stress was generated in the oxide layer which blocked oxygen transport into the deeper region. • O atoms gained larger possibility to go deeper inward as temperature increase. • The related film quality was well explained by the competition mechanism. - Abstract: The early stage oxidation in Si(100) surface has been investigated in this work by a reactive force field molecular dynamics (ReaxFF MD) simulation, manifesting that the oxygen transport acted as a dominant issue for initial oxidation process. Due to the oxidation, a compressive stress was generated in the oxide layer which blocked the oxygen transport perpendicular to the Si(100) surface and further prevented oxidation in the deeper layer. In contrast, thermal actuation was beneficial to the oxygen transport into deeper layer as temperature increases. Therefore, a competition mechanism was found for the oxygen transport during early stage oxidation in Si(100) surface. At room temperature, the oxygen transport was governed by the blocking effect of compressive stress, so a better quality oxide film with more uniform interface and more stoichiometric oxide structure was obtained. Indeed, the mechanism presented in this work is also applicable for other self-limiting oxidation (e.g. metal oxidation) and is helpful for the design of high-performance electronic devices.

  13. Characterization of Zinc Oxide (ZnO) piezoelectric properties for Surface Acoustic Wave (SAW) device

    Science.gov (United States)

    Rosydi Zakaria, Mohd; Johari, Shazlina; Hafiz Ismail, Mohd; Hashim, Uda

    2017-11-01

    In fabricating Surface Acoustic Wave (SAW) biosensors device, the substrate is one of important factors that affected to performance device. there are many types of piezoelectric substrate in the markets and the cheapest is zinc Oxide substrate. Zinc Oxide (ZnO) with its unique properties can be used as piezoelectric substrate along with SAW devices for detection of DNA in this research. In this project, ZnO thin film is deposited onto silicon oxide substrate using electron beam evaporation (E-beam) and Sol-Gel technique. Different material structure is used to compare the roughness and best piezoelectric substrate of ZnO thin film. Two different structures of ZnO target which are pellet and granular are used for e-beam deposition and one sol-gel liquid were synthesize and compared. Parameter for thickness of ZnO e-beam deposition is fixed to a 0.1kÅ for both materials structure and sol-gel was coat using spin coat technique. After the process is done, samples are annealed at temperature of 500°C for 2 hours. The structural properties of effect of post annealing using different material structure of ZnO are studied using Atomic Force Microscopic (AFM) for surface morphology and X-ray Diffraction (XRD) for phase structure.

  14. Studies Of Oxidation And Thermal Reduction Of The Cu(100) Surface Using Positron Annihilation Induced Auger Electron Spectroscopy

    Science.gov (United States)

    Fazleev, N. G.; Nadesalingam, M. P.; Maddox, W.; Weiss, A. H.

    2011-06-01

    Positron annihilation induced Auger electron spectroscopy (PAES) measurements from the surface of an oxidized Cu(100) single crystal show a large increase in the intensity of the annihilation induced Cu M2,3VV Auger peak as the sample is subjected to a series of isochronal anneals in vacuum up to annealing temperature 300 °C. The PAES intensity then decreases monotonically as the annealing temperature is increased to ˜550 °C. Experimental positron annihilation probabilities with Cu 3p and O 1s core electrons are estimated from the measured intensities of the positron annihilation induced Cu M2,3VV and O KLL Auger transitions. PAES results are analyzed by performing calculations of positron surface states and annihilation probabilities of the surface-trapped positrons with relevant core electrons taking into account the charge redistribution at the surface and various surface structures associated with low and high oxygen coverages. The variations in atomic structure and chemical composition of the topmost layers of the oxidized Cu(100) surface are found to affect localization and spatial extent of the positron surface state wave function. The computed positron binding energy and annihilation characteristics reveal their sensitivity to charge transfer effects, atomic structure and chemical composition of the topmost layers of the oxidized Cu(100) surface. Theoretical positron annihilation probabilities with Cu 3p and O 1s core electrons computed for the oxidized Cu(100) surface are compared with experimental ones. The obtained results provide a demonstration of thermal reduction of the copper oxide surface after annealing at 300 °C followed by re-oxidation of the Cu(100) surface at higher annealing temperatures presumably due to diffusion of subsurface oxygen to the surface.

  15. Studies Of Oxidation And Thermal Reduction Of The Cu(100) Surface Using Positron Annihilation Induced Auger Electron Spectroscopy

    International Nuclear Information System (INIS)

    Fazleev, N. G.; Nadesalingam, M. P.; Maddox, W.; Weiss, A. H.

    2011-01-01

    Positron annihilation induced Auger electron spectroscopy (PAES) measurements from the surface of an oxidized Cu(100) single crystal show a large increase in the intensity of the annihilation induced Cu M2,3VV Auger peak as the sample is subjected to a series of isochronal anneals in vacuum up to annealing temperature 300 deg. C. The PAES intensity then decreases monotonically as the annealing temperature is increased to ∼550 deg. C. Experimental positron annihilation probabilities with Cu 3p and O 1s core electrons are estimated from the measured intensities of the positron annihilation induced Cu M 2,3 VV and O KLL Auger transitions. PAES results are analyzed by performing calculations of positron surface states and annihilation probabilities of the surface-trapped positrons with relevant core electrons taking into account the charge redistribution at the surface and various surface structures associated with low and high oxygen coverages. The variations in atomic structure and chemical composition of the topmost layers of the oxidized Cu(100) surface are found to affect localization and spatial extent of the positron surface state wave function. The computed positron binding energy and annihilation characteristics reveal their sensitivity to charge transfer effects, atomic structure and chemical composition of the topmost layers of the oxidized Cu(100) surface. Theoretical positron annihilation probabilities with Cu 3p and O 1s core electrons computed for the oxidized Cu(100) surface are compared with experimental ones. The obtained results provide a demonstration of thermal reduction of the copper oxide surface after annealing at 300 deg. C followed by re-oxidation of the Cu(100) surface at higher annealing temperatures presumably due to diffusion of subsurface oxygen to the surface.

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

    KAUST Repository

    Nanda, Himansu Sekhar

    2016-11-14

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

  17. Alloying Au surface with Pd reduces the intrinsic activity in catalyzing CO oxidation

    KAUST Repository

    Qian, Kun

    2016-03-30

    © 2016. Various Au-Pd/SiO2 catalysts with a fixed Au loading but different Au:Pd molar ratios were prepared via deposition-precipitation method followed by H2 reduction. The structures were characterized and the catalytic activities in CO oxidation were evaluated. The formation of Au-Pd alloy particles was identified. The Au-Pd alloy particles exhibit enhanced dispersions on SiO2 than Au particles. Charge transfer from Pd to Au within Au-Pd alloy particles. Isolated Pd atoms dominate the surface of Au-Pd alloy particles with large Au:Pd molar ratios while contiguous Pd atoms dominate the surface of Au-Pd alloy particles with small Au:Pd molar ratios. Few synergetic effect of Au-Pd alloy occurs on catalyzing CO oxidation under employed reaction conditions. Alloying Au with Pd reduces the intrinsic activity in catalyzing CO oxidation, and contiguous Pd atoms on the Au-Pd alloy particles are capable of catalyzing CO oxidation while isolated Pd atoms are not. These results advance the fundamental understandings of Au-Pd alloy surfaces in catalyzing CO oxidation.

  18. Oxidation and metal-insertion in molybdenite surfaces: evaluation of charge-transfer mechanisms and dynamics

    Directory of Open Access Journals (Sweden)

    Shutthanandan V

    2008-06-01

    Full Text Available Abstract Molybdenum disulfide (MoS2, a layered transition-metal dichalcogenide, has been of special importance to the research community of geochemistry, materials and environmental chemistry, and geotechnical engineering. Understanding the oxidation behavior and charge-transfer mechanisms in MoS2 is important to gain better insight into the degradation of this mineral in the environment. In addition, understanding the insertion of metals into molybdenite and evaluation of charge-transfer mechanism and dynamics is important to utilize these minerals in technological applications. Furthermore, a detailed investigation of thermal oxidation behavior and metal-insertion will provide a basis to further explore and model the mechanism of adsorption of metal ions onto geomedia. The present work was performed to understand thermal oxidation and metal-insertion processes of molybdenite surfaces. The analysis was performed using atomic force microscopy (AFM, scanning electron microscopy (SEM, transmission electron microscopy (TEM, Rutherford backscattering spectrometry (RBS, and nuclear reaction analysis (NRA. Structural studies using SEM and TEM indicate the local-disordering of the structure as a result of charge-transfer process between the inserted lithium and the molybdenite layer. Selected area electron diffraction measurements indicate the large variations in the diffusivity of lithium confirming that the charge-transfer is different along and perpendicular to the layers in molybdenite. Thermal heating of molybenite surface in air at 400°C induces surface oxidation, which is slow during the first hour of heating and then increases significantly. The SEM results indicate that the crystals formed on the molybdenite surface as a result of thermal oxidation exhibit regular thin-elongated shape. The average size and density of the crystals on the surface is dependent on the time of annealing; smaller size and high density during the first one-hour and

  19. Oxidation and metal-insertion in molybdenite surfaces: evaluation of charge-transfer mechanisms and dynamics.

    Science.gov (United States)

    Ramana, C V; Becker, U; Shutthanandan, V; Julien, C M

    2008-06-05

    Molybdenum disulfide (MoS2), a layered transition-metal dichalcogenide, has been of special importance to the research community of geochemistry, materials and environmental chemistry, and geotechnical engineering. Understanding the oxidation behavior and charge-transfer mechanisms in MoS2 is important to gain better insight into the degradation of this mineral in the environment. In addition, understanding the insertion of metals into molybdenite and evaluation of charge-transfer mechanism and dynamics is important to utilize these minerals in technological applications. Furthermore, a detailed investigation of thermal oxidation behavior and metal-insertion will provide a basis to further explore and model the mechanism of adsorption of metal ions onto geomedia.The present work was performed to understand thermal oxidation and metal-insertion processes of molybdenite surfaces. The analysis was performed using atomic force microscopy (AFM), scanning electron microscopy (SEM), transmission electron microscopy (TEM), Rutherford backscattering spectrometry (RBS), and nuclear reaction analysis (NRA).Structural studies using SEM and TEM indicate the local-disordering of the structure as a result of charge-transfer process between the inserted lithium and the molybdenite layer. Selected area electron diffraction measurements indicate the large variations in the diffusivity of lithium confirming that the charge-transfer is different along and perpendicular to the layers in molybdenite. Thermal heating of molybenite surface in air at 400 degrees C induces surface oxidation, which is slow during the first hour of heating and then increases significantly. The SEM results indicate that the crystals formed on the molybdenite surface as a result of thermal oxidation exhibit regular thin-elongated shape. The average size and density of the crystals on the surface is dependent on the time of annealing; smaller size and high density during the first one-hour and significant

  20. Cobalt oxide-molybdenum oxide-aluminum oxide catalyst : II. The structure of the catalyst

    NARCIS (Netherlands)

    Lipsch, J.M.J.G.; Schuit, G.C.A.

    1969-01-01

    The structure of the \\"Co molybdate on alumina\\" catalyst was investigated. Infrared spectra show that the Mo is present as MoO3. Reflection spectra lead to the conclusion that the Co is distributed throughout the bulk of the alumina as CoAl2O4, whereas the MoO3 is spread over the carrier surface,

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

    KAUST Repository

    Crumlin, Ethan J.; Mutoro, Eva; Liu, Zhi; Grass, Michael E.; Biegalski, Michael D.; Lee, Yueh-Lin; Morgan, Dane; Christen, Hans M.; Bluhm, Hendrik; Shao-Horn, Yang

    2012-01-01

    Perovskite oxides have high catalytic activities for oxygen electrocatalysis competitive to platinum at elevated temperatures. However, little is known about the oxide surface chemistry that influences the activity near ambient oxygen partial pressures, which hampers the design of highly active catalysts for many clean-energy technologies such as solid oxide fuel cells. Using in situ synchrotron-based, ambient pressure X-ray photoelectron spectroscopy to study the surface chemistry changes, we show that the coverage of surface secondary phases on a (001)-oriented La 0.8Sr 0.2CoO 3-δ (LSC) film becomes smaller than that on an LSC powder pellet at elevated temperatures. In addition, strontium (Sr) in the perovskite structure enriches towards the film surface in contrast to the pellet having no detectable changes with increasing temperature. We propose that the ability to reduce surface secondary phases and develop Sr-enriched perovskite surfaces of the LSC film contributes to its enhanced activity for O 2 electrocatalysis relative to LSC powder-based electrodes. © 2012 The Royal Society of Chemistry.

  2. Advances on surface structural determination by LEED

    International Nuclear Information System (INIS)

    Soares, Edmar A; De Carvalho, Vagner E; De Castilho, Caio M C

    2011-01-01

    In the last 40 years, low energy electron diffraction (LEED) has proved to be the most reliable quantitative technique for surface structural determination. In this review, recent developments related to the theory that gives support to LEED structural determination are discussed under a critical analysis of the main theoretical approximation-the muffin-tin calculation. The search methodologies aimed at identifying the best matches between theoretical and experimental intensity versus voltage curves are also considered, with the most recent procedures being reviewed in detail. (topical review)

  3. Microarc Oxidation of Product Surfaces without Using a Bath

    Directory of Open Access Journals (Sweden)

    V. K. Shatalov

    2015-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-02-28

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

  5. Surface oxidization-reduction reactions in Columbia Plateau basalts

    International Nuclear Information System (INIS)

    White, A.F.; Yee, A.

    1984-01-01

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

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

    International Nuclear Information System (INIS)

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

    2017-01-01

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

  7. Reversible switching of wetting properties and erasable patterning of polymer surfaces using plasma oxidation and thermal treatment

    Science.gov (United States)

    Rashid, Zeeshan; Atay, Ipek; Soydan, Seren; Yagci, M. Baris; Jonáš, Alexandr; Yilgor, Emel; Kiraz, Alper; Yilgor, Iskender

    2018-05-01

    Polymer surfaces reversibly switchable from superhydrophobic to superhydrophilic by exposure to oxygen plasma and subsequent thermal treatment are demonstrated. Two inherently different polymers, hydrophobic segmented polydimethylsiloxane-urea copolymer (TPSC) and hydrophilic poly(methyl methacrylate) (PMMA) are modified with fumed silica nanoparticles to prepare superhydrophobic surfaces with roughness on nanometer to micrometer scale. Smooth TPSC and PMMA surfaces are also used as control samples. Regardless of their chemical structure and surface topography, all surfaces display completely reversible wetting behavior changing from hydrophobic to hydrophilic and back for many cycles upon plasma oxidation followed by thermal annealing. Influence of plasma power, plasma exposure time, annealing temperature and annealing time on the wetting behavior of polymeric surfaces are investigated. Surface compositions, textures and topographies are characterized by X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM) and white light interferometry (WLI), before and after oxidation and thermal annealing. Wetting properties of the surfaces are determined by measuring their static, advancing and receding water contact angle. We conclude that the chemical structure and surface topography of the polymers play a relatively minor role in reversible wetting behavior, where the essential factors are surface oxidation and migration of polymer molecules to the surface upon thermal annealing. Reconfigurable water channels on polymer surfaces are produced by plasma treatment using a mask and thermal annealing cycles. Such patterned reconfigurable hydrophilic regions can find use in surface microfluidics and optofluidics applications.

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

    Science.gov (United States)

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

    1988-01-01

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

  9. Hydrophobic and optical characteristics of graphene and graphene oxide films transferred onto functionalized silica particles deposited glass surface

    Science.gov (United States)

    Yilbas, B. S.; Ibrahim, A.; Ali, H.; Khaled, M.; Laoui, T.

    2018-06-01

    Hydrophobic and optical transmittance characteristics of the functionalized silica particles on the glass surface prior and after transfer of graphene and graphene oxide films on the surface are examined. Nano-size silica particles are synthesized and functionalized via chemical grafting and deposited onto a glass surface. Graphene film, grown on copper substrate, was transferred onto the functionalized silica particles surface through direct fishing method. Graphene oxide layer was deposited onto the functionalized silica particles surface via spin coating technique. Morphological, hydrophobic, and optical characteristics of the functionalized silica particles deposited surface prior and after graphene and graphene oxide films transfer are examined using the analytical tools. It is found that the functionalized silica particles are agglomerated at the surface forming packed structures with few micro/nano size pores. This arrangement gives rise to water droplet contact angle and contact angle hysteresis in the order of 163° and 2°, respectively, and remains almost uniform over the entire surface. Transferring graphene and depositing graphene oxide films over the functionalized silica particles surface lowers the water droplet contact angle slightly (157-160°) and increases the contact angle hysteresis (4°). The addition of the graphene and graphene oxide films onto the surface of the deposited functionalized silica particles improves the optical transmittance.

  10. Optimum deposition, structure, and properties of tantalum oxide films

    International Nuclear Information System (INIS)

    Lin, Y.C.

    1985-01-01

    Amorphous, ductile, and uniform Ta 2 O 5 films that acted as diffusion barriers were developed by sputter depositing Ta metal on Al single crystals (99.99%) and subsequently anodizing these thin films. The morphology, microstructure, composition and properties were characterized by scanning and transmission electron microscopy, surface and Fourier transform infrared spectroscopy, X-ray diffraction, and fluorescence. Superior corrosion resistance in a water saturated Cl 2 atmosphere was provided by Ta 2 O 5 coating on Al single crystal substrates but not on Al alloys. The strong Ta-O bond, the non-porous nature of the film and good adhesion to the substrate are attributed to the outstanding corrosion resistance of these oxide coatings. Al alloy surfaces are not protected, since the anodic film formed over grain boundaries, processing lines and emergent precipitates is poorly adherent, thus providing loci for corrosion. These problems were eliminated by casting a 400 A layer of tantalum oxyhydroxide polymer from ethanol solution onto Al substrate and curing to a Ta 2 O 5 layer that effectively resisted attack by wet Cl 2 . The mechanical properties of Ta 2 O 5 films on Al alloys were studied at various pH's by in-situ fatigue loading coupled with electrochemical measurements of corrosion potential and corrosion current. These results indicate the fatigue resistance of this oxide film effectively protects the underlying metal from strong HCl solution attack. The very unusual ductility and high corrosion resistance of Ta 2 O 5 films could be related to the graphite-like structure that exists in the amorphous state of this oxide

  11. Water surface coverage effects on reactivity of plasma oxidized Ti films

    International Nuclear Information System (INIS)

    Pranevicius, L.; Pranevicius, L.L.; Vilkinis, P.; Baltaragis, S.; Gedvilas, K.

    2014-01-01

    Highlights: • The reactivity of Ti films immersed in water vapor plasma depends on the surface water coverage. • The adsorbed water monolayers are disintegrated into atomic constituents on the hydrophilic TiO 2 under plasma radiation. • The TiO 2 surface covered by water multilayer loses its ability to split adsorbed water molecules under plasma radiation. - Abstract: The behavior of the adsorbed water on the surface of thin sputter deposited Ti films maintained at room temperature was investigated in dependence on the thickness of the resulting adsorbed water layer, controllably injecting water vapor into plasma. The surface morphology and microstructure were used to characterize the surfaces of plasma treated titanium films. Presented experimental results showed that titanium films immersed in water vapor plasma at pressure of 10–100 Pa promoted the photocatalytic activity of overall water splitting. The surfaces of plasma oxidized titanium covered by an adsorbed hydroxyl-rich island structure water layer and activated by plasma radiation became highly chemically reactive. As water vapor pressure increased up to 300–500 Pa, the formed water multilayer diminished the water oxidation and, consequently, water splitting efficiency decreased. Analysis of the experimental results gave important insights into the role an adsorbed water layer on surface of titanium exposed to water vapor plasma on its chemical activity and plasma activated electrochemical processes, and elucidated the surface reactions that could lead to the split of water molecules

  12. Identification of a Catalytically Highly Active Surface Phase for CO Oxidation over PtRh Nanoparticles under Operando Reaction Conditions

    Science.gov (United States)

    Hejral, U.; Franz, D.; Volkov, S.; Francoual, S.; Strempfer, J.; Stierle, A.

    2018-03-01

    Pt-Rh alloy nanoparticles on oxide supports are widely employed in heterogeneous catalysis with applications ranging from automotive exhaust control to energy conversion. To improve catalyst performance, an atomic-scale correlation of the nanoparticle surface structure with its catalytic activity under industrially relevant operando conditions is essential. Here, we present x-ray diffraction data sensitive to the nanoparticle surface structure combined with in situ mass spectrometry during near ambient pressure CO oxidation. We identify the formation of ultrathin surface oxides by detecting x-ray diffraction signals from particular nanoparticle facets and correlate their evolution with the sample's enhanced catalytic activity. Our approach opens the door for an in-depth characterization of well-defined, oxide-supported nanoparticle based catalysts under operando conditions with unprecedented atomic-scale resolution.

  13. Construction of an interatomic potential for zinc oxide surfaces by high-dimensional neural networks

    Energy Technology Data Exchange (ETDEWEB)

    Artrith, Nongnuch; Morawietz, Tobias; Behler, Joerg [Lehrstuhl fuer Theoretische Chemie, Ruhr-Universitaet Bochum, D-44780 Bochum (Germany)

    2011-07-01

    Zinc oxide (ZnO) is a technologically important material with many applications, e.g. in heterogeneous catalysis. For theoretical studies of the structural properties of ZnO surfaces, defects, and crystal structures it is necessary to simulate large systems over long time-scales with sufficient accuracy. Often, the required system size is not accessible by computationally rather demanding density-functional theory (DFT) calculations. Recently, artificial Neural Networks (NN) trained to first principles data have shown to provide accurate potential-energy surfaces (PESs) for condensed systems. We present the construction and analysis of a NN PES for ZnO. The structural and energetic properties of bulk ZnO and ZnO surfaces are investigated using this potential and compared to DFT calculations.

  14. Process for depositing an oxide epitaxially onto a silicon substrate and structures prepared with the process

    Science.gov (United States)

    McKee, Rodney A.; Walker, Frederick J.

    1993-01-01

    A process and structure involving a silicon substrate utilizes an ultra high vacuum and molecular beam epitaxy (MBE) methods to grow an epitaxial oxide film upon a surface of the substrate. As the film is grown, the lattice of the compound formed at the silicon interface becomes stabilized, and a base layer comprised of an oxide having a sodium chloride-type lattice structure grows epitaxially upon the compound so as to cover the substrate surface. A perovskite may then be grown epitaxially upon the base layer to render a product which incorporates silicon, with its electronic capabilities, with a perovskite having technologically-significant properties of its own.

  15. Physical and structural characterization of oxides

    International Nuclear Information System (INIS)

    Hussain, A.

    2012-01-01

    Objective of this thesis was the synthesis of the nano whiskers of aluminum ammonium carbonate hydroxide (AACH) from the mixture of aluminum nitrate and urea with different content levels of urea by hydrothermal process. The AACH precursor of nano alumina whiskers is added into zirconia powder along with CTAB and ethanol to obtain fine precipitates ready for calcining at 650 C. Fine powder of zirconia with alumina whiskers is compacted to form pellets of 5 mm diameter. Sintering of pellets has been performed at 1500 C in open atmosphere. Fabrication of sintered pellets is being done by using uniaxial press under 5 ton loads. The addition of alumina whiskers resulted better mechanical properties like compactness, hardness and flexural strength etc. The influence of urea composition upon the growth of alumina whisker has been revealed by FE-SEM. Low content of urea at 6 gm. to 8 gm. formed urchin like morphology of AACH whiskers, while at higher level 12 gm. of urea independent whiskers obtained. In second stage the varying amount of urea in aluminum nitrate was performed and calcined at different temperatures 80, 100, 200, 300, 400 degree C to reveal the effect on the pure AACH whiskers morphologies. Different characterization like SEM is used for structure morphologies, XRD used for determining of type of structure, FTIR technique used for the study of nature of functional groups, and impedance spectroscopy applied for electrical properties measurements. XRD pattern show the presence of a-alumina, FTIR tells about the missing peaks and absence of functional group due to increases in the temperature and SEM analysis of fractured surface of sintered pellets done for revealing structure morphology. Fracture study of nuclear fuel has also done by SEM analysis in this work to study cause of peeling off flakes at the outer edge of sintered UO 2 pellets. (author)

  16. Surface patterned dielectrics by direct writing of anodic oxides using scanning droplet cell microscopy

    International Nuclear Information System (INIS)

    Siket, Christian M.; Mardare, Andrei Ionut; Kaltenbrunner, Martin; Bauer, Siegfried; Hassel, Achim Walter

    2013-01-01

    Highlights: • Scanning droplet cell microscopy was applied for local gate oxide writing. • Sharp lines are obtained at the highest writing speed of 1 mm min −1 . • 13.4 kC cm −3 was found as charge per volume for aluminium oxide. • High field constant of 24 nm V −1 and dielectric constant of 12 were determined for Al 2 O 3 by CV and EIS. -- Abstract: Scanning droplet cell microscopy was used for patterning of anodic oxide lines on the surface of Al thin films by direct writing. The structural modifications of the written oxide lines as a function of the writing speed were studied by analyzing the relative error of the line widths. Sharper lines were obtained for writing speeds faster than 1 mm min −1 . An increase in sharpness was observed for higher writing speeds. A theoretical model based on the Faraday law is proposed to explain the constant anodisation current measured during the writing process and yielded a charge per volume of 13.4 kC cm −3 for Al 2 O 3 . From calculated oxide film thicknesses the high field constant was found to be 24 nm V −1 . Electrochemical impedance spectroscopy revealed an increase of the electrical permittivity up to ε = 12 with the decrease of the writing speed of the oxide line. Writing of anodic oxide lines was proven to be an important step in preparing capacitors and gate dielectrics in plastic electronics

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

    International Nuclear Information System (INIS)

    Teraoka, Yuden; Yoshigoe, Akitaka

    2002-01-01

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

  18. Ozone Decomposition on the Surface of Metal Oxide Catalyst

    Directory of Open Access Journals (Sweden)

    Batakliev Todor Todorov

    2014-12-01

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

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

    Science.gov (United States)

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

    2018-03-06

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

  20. Osteoblast growth behavior on porous-structure titanium surface

    International Nuclear Information System (INIS)

    Tian Yuan; Ding Siyang; Peng Hui; Lu Shanming; Wang Guoping; Xia Lu; Wang Peizhi

    2012-01-01

    Highlights: ► Micro-arc oxidation technology formed a porous feature on titanium surface. ► This porous surface accelerated adhesion, proliferation and differentiation compared with smooth surface. ► Osteogenesis-related proteins and genes were up regulated by this porous surface. ► It is anticipated that micro-arc oxidation surface could enhance osteoblastic activity and bone regeneration. - Abstract: A bioavailable surface generated by nano-technology could accelerate implant osteointegration, reduce healing time and enable implants to bear early loading. In this study, a nano-porous surface of titanium wafers was modified using micro-arc oxidation technique; surface of smooth titanium was used as control group. Surface characteristic was evaluated by investigating morphology, roughness and hydrophilicity of titanium wafers. In vitro studies, osteoblastic adhesion, proliferation and ALP activity, as well as gene and protein expressions relative to mineralization were assayed. Our results showed that a crater-liked nano-porous surface with greater roughness and better hydrophilicity were fabricated by micro-arc oxidation. It was further indicated that nano-porous surface could enhance adhesion, proliferation and ALP activity of osteoblasts compared with smooth surfaces. In addition, gene and protein expression of collagen-I, osteocalcin and osteopontin were also obviously increased. In summary, micro-arc oxidized techniques could form an irregular nano-porous morphology on implant surface which is favorable to improve osteoblastic function and prospected to be a potent modification of dental implant.

  1. Nanoscale surface topographies for structural colors

    DEFF Research Database (Denmark)

    Clausen, Jeppe Sandvik

    The thesis describes and demonstrates the possibilities for utilization of structural colors in mass fabricated plastic products as replacement for or in combination with pigments and inks. The motivation is the possible advantages related to re-cycling and re-use of plastic by limiting the number......-polymer interface is suppressed. This improves the ability to see through a clear plastic in the presence of specular reflection. The tapered nanostructures are also utilized to enhance the chroma of pigmented polymers. Larger tapered structures fabricated in a similar manor are shown to work as color filters....... Through an experimental study is the color of the transmitted light linked directly to the random topography of the surface by use of diffraction theory. The color effects from periodic structures and how these might be employed to create bright colors are investigated. This is done both for opaque...

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

    Science.gov (United States)

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

    1982-01-01

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

  3. Stripping scattering of fast atoms on surfaces of metal-oxide crystals and ultrathin films

    International Nuclear Information System (INIS)

    Blauth, David

    2010-01-01

    In the framework of the present dissertation the interactions of fast atoms with surfaces of bulk oxides, metals and thin films on metals were studied. The experiments were performed in the regime of grazing incidence of atoms with energies of some keV. The advantage of this scattering geometry is the high surface sensibility and thus the possibility to determine the crystallographic and electronic characteristics of the topmost surface layer. In addition to these experiments, the energy loss and the electron emission induced by scattered projectiles was investigated. The energy for electron emission and exciton excitation on Alumina/NiAl(110) and SiO 2 /Mo(112) are determined. By detection of the number of projectile induced emitted electrons as function of azimuthal angle for the rotation of the target surface, the geometrical structure of atoms forming the topmost layer of different adsorbate films on metal surfaces where determined via ion beam triangulation. (orig.)

  4. A template-free solvent-mediated synthesis of high surface area boron nitride nanosheets for aerobic oxidative desulfurization.

    Science.gov (United States)

    Wu, Peiwen; Zhu, Wenshuai; Chao, Yanhong; Zhang, Jinshui; Zhang, Pengfei; Zhu, Huiyuan; Li, Changfeng; Chen, Zhigang; Li, Huaming; Dai, Sheng

    2016-01-04

    Hexagonal boron nitride nanosheets (h-BNNs) with rather high specific surface area (SSA) are important two-dimensional layer-structured materials. Here, a solvent-mediated synthesis of h-BNNs revealed a template-free lattice plane control strategy that induced high SSA nanoporous structured h-BNNs with outstanding aerobic oxidative desulfurization performance.

  5. Amorphous structure of iron oxide of bacterial origin

    Energy Technology Data Exchange (ETDEWEB)

    Hashimoto, Hideki; Fujii, Tatsuo [Graduate School of Natural Science and Technology, Okayama University, Okayama 700-8530 (Japan); Kohara, Shinji [Japan Synchrotron Radiation Research Institute, Sayo, Hyogo 679-5198 (Japan); Asaoka, Hiroshi [Graduate School of Natural Science and Technology, Okayama University, Okayama 700-8530 (Japan); Kusano, Yoshihiro [Department of Fine and Applied Arts, Kurashiki University of Science and the Arts, Kurashiki, Okayama 712-8505 (Japan); Ikeda, Yasunori [Research Institute for Production Development, Sakyo-ku, Kyoto 606-0805 (Japan); Nakanishi, Makoto [Graduate School of Natural Science and Technology, Okayama University, Okayama 700-8530 (Japan); Benino, Yasuhiko; Nanba, Tokuro [Graduate School of Environmental Science, Okayama University, Okayama 700-8530 (Japan); Takada, Jun, E-mail: jtakada@cc.okayama-u.ac.jp [Graduate School of Natural Science and Technology, Okayama University, Okayama 700-8530 (Japan); JST, CREST, Okayama 700-8530 (Japan)

    2012-12-14

    In nature, there are various iron oxides produced by the water-habitant bacterial group called 'iron-oxidizing bacteria'. These iron oxides have been studied mainly from biological and geochemical perspectives. Today, attempts are made to use such iron oxides as novel functional materials in several applications. However, their quantitative structural characteristics are still unclear. We studied the structure of iron oxide of microtubular form consisting of amorphous nanoparticles formed by an iron-oxidizing bacterium, Leptothrix ochracea, using a combination of high-energy X-ray diffraction and reverse Monte Carlo simulation. We found that its structure consists of a framework of corner- and edge-sharing distorted FeO{sub 6} octahedral units, while SiO{sub 4} tetrahedral units are isolated in the framework. The results reveal the atomic arrangement of iron oxide of bacterial origin, which is essential for investigating its potential as a functional material. -- Highlights: Black-Right-Pointing-Pointer The amorphous structure of bacterial iron oxide was investigated. Black-Right-Pointing-Pointer The structure was simulated by high-energy X-ray diffraction and reverse Monte Carlo simulation. Black-Right-Pointing-Pointer The structure was constructed of a framework of corner- and edge-sharing distorted FeO{sub 6} octahedral units. Black-Right-Pointing-Pointer SiO{sub 4} tetrahedral units were distributed isolatedly in the framework of FeO{sub 6} octahedral units.

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

    Science.gov (United States)

    Chen, Peijun

    High resolution electron energy loss spectroscopy (HREELS) and other surface spectroscopic techniques have been employed to investigate the following two classes of surface/interface phenomena on well-defined semiconductor and oxide surfaces: (i) the fundamental physical and chemical processes involved in gas-solid interaction on silicon single crystal surfaces, and (ii) the physical and chemical properties of metal-oxide interfaces. The particular systems reported in this dissertation are: NH_3, PH_3 and B_ {10}H_{14} on Si(111)-(7 x 7); NH_3 on Si(100) -(2 x 1); atomic H on Si(111)-(7 x 7) and boron-modified Si(111); Al on Al_2O_3 and Sn on SiO_2.. On silicon surfaces, the surface dangling bonds function as the primary adsorption sites where surface chemical processes take place. The unambiguous identification of surface species by vibrational spectroscopy allows the elementary steps involved in these surface chemical processes to be followed on a molecular level. For adsorbate molecules such as NH_3 and PH_3, the nature of the initial low temperature (100 -300 K) adsorption is found to be dissociative, while that for B_{10}H_ {14} is non-dissociative. This has been deduced based upon the presence (or absence) of specific characteristic vibrational mode(s) on surface. By following the evolution of surface species as a function of temperature, the elementary steps leading to silicon nitride thin film growth and doping of silicon are elucidated. In the case of NH_3 on Si(111)-(7 x 7) and Si(100)-(2 x 1), a detailed understanding on the role of substrate surface structure in controlling the surface reactivity has been gained on the basis of a Si adatom backbond-strain relief mechanism on the Si(111) -(7 x 7). The electronic modification to Si(111) surface by subsurface boron doping has been shown to quench its surface chemistry, even for the most aggressive atomic H. This discovery is potentially meaningful to the technology of gas-phase silicon etching. The

  7. Architectural Surfaces and Structures from Circular Arcs

    KAUST Repository

    Shi, Ling

    2013-12-01

    In recent decades, the popularity of freeform shapes in contemporary architecture poses new challenges to digital design. One of them is the process of rationalization, i.e. to make freeform skins or structures affordable to manufacture, which draws the most attention from geometry researchers. In this thesis, we aim to realize this process with simple geometric primitives, circular arcs. We investigate architectural surfaces and structures consisting of circular arcs. Our focus is lying on how to employ them nicely and repetitively in architectural design, in order to decrease the cost in manufacturing. Firstly, we study Darboux cyclides, which are algebraic surfaces of order ≤ 4. We provide a computational tool to identify all families of circles on a given cyclide based on the spherical model of M ̈obius geometry. Practical ways to design cyclide patches that pass through certain inputs are presented. In particular, certain triples of circle families on Darboux cyclides may be suitably arranged as 3-webs. We provide a complete classification of all possible 3-webs of circles on Darboux cyclides. We then investigate the circular arc snakes, which are smooth sequences of circu- lar arcs. We evolve the snakes such that their curvature, as a function of arc length, remains unchanged. The evolution of snakes is utilized to approximate given surfaces by circular arcs or to generated freeform shapes, and it is realized by a 2-step pro- cess. More interestingly, certain 6-arc snake with boundary constraints can produce a smooth self motion, which can be employed to build flexible structures. Another challenging topic is approximating smooth freeform skins with simple panels. We contribute to this problem area by approximating a negatively-curved 5 surface with a smooth union of rational bilinear patches. We provide a proof for vertex consistency of hyperbolic nets using the CAGD approach of the rational B ́ezier form. Moreover, we use Darboux transformations for the

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-05-01

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

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

    International Nuclear Information System (INIS)

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

    2017-01-01

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

  10. Methanol oxidation reaction on core-shell structured Ruthenium-Palladium nanoparticles: Relationship between structure and electrochemical behavior

    Science.gov (United States)

    Kübler, Markus; Jurzinsky, Tilman; Ziegenbalg, Dirk; Cremers, Carsten

    2018-01-01

    In this work the relationship between structural composition and electrochemical characteristics of Palladium(Pd)-Ruthenium(Ru) nanoparticles during alkaline methanol oxidation reaction is investigated. The comparative study of a standard alloyed and a precisely Ru-core-Pd-shell structured catalyst allows for a distinct investigation of the electronic effect and the bifunctional mechanism. Core-shell catalysts benefit from a strong electronic effect and an efficient Pd utilization. It is found that core-shell nanoparticles are highly active towards methanol oxidation reaction for potentials ≥0.6 V, whereas alloyed catalysts show higher current outputs in the lower potential range. However, differential electrochemical mass spectrometry (DEMS) experiments reveal that the methanol oxidation reaction on core-shell structured catalysts proceeds via the incomplete oxidation pathway yielding formaldehyde, formic acid or methyl formate. Contrary, the alloyed catalyst benefits from the Ru atoms at its surface. Those are found to be responsible for high methanol oxidation activity at lower potentials as well as for complete oxidation of CH3OH to CO2 via the bifunctional mechanism. Based on these findings a new Ru-core-Pd-shell-Ru-terrace catalyst was synthesized, which combines the advantages of the core-shell structure and the alloy. This novel catalyst shows high methanol electrooxidation activity as well as excellent selectivity for the complete oxidation pathway.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2002-09-01

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

  12. Sintering of uranium oxide of high specific surface area

    International Nuclear Information System (INIS)

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

    1959-01-01

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

  13. Neisserial surface lipoproteins: structure, function and biogenesis.

    Science.gov (United States)

    Hooda, Yogesh; Shin, Hyejin E; Bateman, Thomas J; Moraes, Trevor F

    2017-03-01

    The surface of many Gram-negative bacteria contains lipidated protein molecules referred to as surface lipoproteins or SLPs. SLPs play critical roles in host immune evasion, nutrient acquisition and regulation of the bacterial stress response. The focus of this review is on the SLPs present in Neisseria, a genus of bacteria that colonise the mucosal surfaces of animals. Neisseria contains two pathogens of medical interest, namely Neisseria meningitidis and N. gonorrhoeae. Several SLPs have been identified in Neisseria and their study has elucidated key strategies used by these pathogens to survive inside the human body. Herein, we focus on the identification, structure and function of SLPs that have been identified in Neisseria. We also survey the translocation pathways used by these SLPs to reach the cell surface. Specifically, we elaborate on the strategies used by neisserial SLPs to translocate across the outer membrane with an emphasis on Slam, a novel outer membrane protein that has been implicated in SLP biogenesis. Taken together, the study of SLPs in Neisseria illustrates the widespread roles played by this family of proteins in Gram-negative bacteria. © FEMS 2017. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

  14. Surface science study of selective ethylene epoxidation catalyzed by the Ag(110) surface: Structural sensitivity

    International Nuclear Information System (INIS)

    Campbell, C.T.

    1984-01-01

    The selective oxidation of ethylene to ethylene epoxide (C 2 H 4 +1/2O 2 →C 2 H 4 O) over Ag is the simplest example of kinetically controlled, selective heterogeneous catalysis. We have studied the steady-state kinetics and selectivity of this reaction for the first time on a clean, well-characterized Ag(110) surface by using a special apparatus which allows rapid (approx.20 s) transfer between a high-pressure catalytic microreactor and an ultrahigh vacuum surface analysis (AES, XPS, LEED, TDS) chamber. The effects of temperature and reactant pressures upon the rate and selectivity are virtually identical on Ag(110) and supported, high surface area Ag catalysts. The absolute specific rate (per Ag surface atom) is, however, some 100-fold higher for Ag(110) than for high surface area catalysts. This is related to the well-known structural sensitivity of this reaction. It is postulated that a small percentage of (110) planes (or [110]-like sites) are responsible for most of the catalytic activity of high surface area catalysts. The high activity of the (110) plane is attributed to its high sticking probability for dissociative oxygen adsorption, since the rate of ethylene epoxidation is shown in a related work [Ref. 1: C. T. Campbell and M. T. Paffett, Surf. Sci. (in press)] to be proportional to the coverage of atomically adsorbed oxygen at constant temperature and ethylene pressure

  15. The surface electronic structure of Y(0001)

    International Nuclear Information System (INIS)

    Searle, C.

    1998-12-01

    Yttrium has been grown epitaxially on W(110). The growth was monitored by using photoemission spectroscopy with a synchrotron radiation source. The film thickness has been gauged by the attenuation of the W 4f 7/2 bulk component. The films have been grown reproducibly and show a prominent surface state which is indicative of good order and low contamination. Angle-Resolved Ultra-Violet Photoemission Spectroscopy has been used to examine the valence band of these ultra-thin films. The films show a very different structure to the valence band of a bulk crystal of yttrium. The differences have been investigated by a series of model calculations using the LMASA-46 tight-binding LMTO program. The calculations suggest that the ultra-thin film surface state may be hybridised with a tungsten orbital having (x 2 - y 2 ) character. (author)

  16. Structured thermal surface for radiative camouflage.

    Science.gov (United States)

    Li, Ying; Bai, Xue; Yang, Tianzhi; Luo, Hailu; Qiu, Cheng-Wei

    2018-01-18

    Thermal camouflage has been successful in the conductive regime, where thermal metamaterials embedded in a conductive system can manipulate heat conduction inside the bulk. Most reported approaches are background-dependent and not applicable to radiative heat emitted from the surface of the system. A coating with engineered emissivity is one option for radiative camouflage, but only when the background has uniform temperature. Here, we propose a strategy for radiative camouflage of external objects on a given background using a structured thermal surface. The device is non-invasive and restores arbitrary background temperature distributions on its top. For many practical candidates of the background material with similar emissivity as the device, the object can thereby be radiatively concealed without a priori knowledge of the host conductivity and temperature. We expect this strategy to meet the demands of anti-detection and thermal radiation manipulation in complex unknown environments and to inspire developments in phononic and photonic thermotronics.

  17. Frequency Selective Surface for Structural Health Monitoring

    Science.gov (United States)

    Norlyana Azemi, Saidatul; Mustaffa, Farzana Hazira Wan; Faizal Jamlos, Mohd; Abdullah Al-Hadi, Azremi; Soh, Ping Jack

    2018-03-01

    Structural health monitoring (SHM) technologies have attained attention to monitor civil structures. SHM sensor systems have been used in various civil structures such as bridges, buildings, tunnels and so on. However the previous sensor for SHM is wired and encounter with problem to cover large areas. Therefore, wireless sensor was introduced for SHM to reduce network connecting problem. Wireless sensors for Structural Health monitoring are new technology and have many advantages to overcome the drawback of conventional and wired sensor. This project proposed passive wireless SHM sensor using frequency selective surface (FSS) as an alternative to conventional sensors. The electromagnetic wave characteristic of FSS will change by geometrical changes of FSS due to mechanical strain or structural failure. The changes feature is used as a sensing function without any connecting wires. Two type of design which are circular ring and square loop along with the transmission and reflection characteristics of SHM using FSS were discussed in this project. A simulation process has shown that incident angle characteristics can be use as a data for SHM application.

  18. Electronic detection of surface plasmon polaritons by metal-oxide-silicon capacitor

    Directory of Open Access Journals (Sweden)

    Robert E. Peale

    2016-09-01

    Full Text Available An electronic detector of surface plasmon polaritons (SPPs is reported. SPPs optically excited on a metal surface using a prism coupler are detected by using a close-coupled metal-oxide-silicon (MOS capacitor. Incidence-angle dependence is explained by Fresnel transmittance calculations, which also are used to investigate the dependence of photo-response on structure dimensions. Electrodynamic simulations agree with theory and experiment and additionally provide spatial intensity distributions on and off the SPP excitation resonance. Experimental dependence of the photoresponse on substrate carrier type, carrier concentration, and back-contact biasing is qualitatively explained by simple theory of MOS capacitors.

  19. Development of highly faceted reduced graphene oxide-coated copper oxide and copper nanoparticles on a copper foil surface

    Directory of Open Access Journals (Sweden)

    Rebeca Ortega-Amaya

    2016-07-01

    Full Text Available This work describes the formation of reduced graphene oxide-coated copper oxide and copper nanoparticles (rGO-Cu2ONPs, rGO-CuNPs on the surface of a copper foil supporting graphene oxide (GO at annealing temperatures of 200–1000 °C, under an Ar atmosphere. These hybrid nanostructures were developed from bare copper oxide nanoparticles which grew at an annealing temperature of 80 °C under nitrogen flux. The predominant phase as well as the particle size and shape strongly depend on the process temperature. Characterization with transmission electron microscopy and scanning electron microscopy indicates that Cu or Cu2O nanoparticles take rGO sheets from the rGO network to form core–shell Cu–rGO or Cu2O–rGO nanostructures. It is noted that such ones increase in size from 5 to 800 nm as the annealing temperature increases in the 200–1000 °C range. At 1000 °C, Cu nanoparticles develop a highly faceted morphology, displaying arm-like carbon nanorods that originate from different facets of the copper crystal structure.

  20. Gold nanostar-enhanced surface plasmon resonance biosensor based on carboxyl-functionalized graphene oxide

    International Nuclear Information System (INIS)

    Wu, Qiong; Sun, Ying; Ma, Pinyi; Zhang, Di; Li, Shuo; Wang, Xinghua; Song, Daqian

    2016-01-01

    A new high-sensitivity surface plasmon resonance (SPR) biosensor based on biofunctional gold nanostars (AuNSs) and carboxyl-functionalized graphene oxide (cGO) sheets was described. Compared with spherical gold nanoparticles (AuNPs), the anisotropic structure of AuNSs, which concentrates the electric charge density on its sharp tips, could enhance the local electromagnetic field and the electronic coupling effect significantly. cGO was obtained by a diazonium reaction of graphene oxide (GO) with 4-aminobenzoic acid. Compared with GO, cGO could immobilize more antibodies due to the abundant carboxylic groups on its surface. Testing results show that there are fairly large improvements in the analytical performance of the SPR biosensor using cGO/AuNSs-antigen conjugate, and the detection limit of the proposed biosensor is 0.0375 μg mL"−"1, which is 32 times lower than that of graphene oxide-based biosensor. - Highlights: • A sensitive and versatile SPR biosensor was constructed for detection of pig IgG. • Biofunctional gold nanostars were used to amplify the response signals. • The strategy employed carboxyl-functionalized graphene oxide as biosensing substrate. • The detection limit of the proposed biosensor is 32 times lower than that of graphene oxide-based biosensor.

  1. Gold nanostar-enhanced surface plasmon resonance biosensor based on carboxyl-functionalized graphene oxide

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Qiong; Sun, Ying; Ma, Pinyi; Zhang, Di; Li, Shuo; Wang, Xinghua; Song, Daqian, E-mail: songdq@jlu.edu.cn

    2016-03-24

    A new high-sensitivity surface plasmon resonance (SPR) biosensor based on biofunctional gold nanostars (AuNSs) and carboxyl-functionalized graphene oxide (cGO) sheets was described. Compared with spherical gold nanoparticles (AuNPs), the anisotropic structure of AuNSs, which concentrates the electric charge density on its sharp tips, could enhance the local electromagnetic field and the electronic coupling effect significantly. cGO was obtained by a diazonium reaction of graphene oxide (GO) with 4-aminobenzoic acid. Compared with GO, cGO could immobilize more antibodies due to the abundant carboxylic groups on its surface. Testing results show that there are fairly large improvements in the analytical performance of the SPR biosensor using cGO/AuNSs-antigen conjugate, and the detection limit of the proposed biosensor is 0.0375 μg mL{sup −1}, which is 32 times lower than that of graphene oxide-based biosensor. - Highlights: • A sensitive and versatile SPR biosensor was constructed for detection of pig IgG. • Biofunctional gold nanostars were used to amplify the response signals. • The strategy employed carboxyl-functionalized graphene oxide as biosensing substrate. • The detection limit of the proposed biosensor is 32 times lower than that of graphene oxide-based biosensor.

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

    Directory of Open Access Journals (Sweden)

    Paul C. McIntyre

    2012-07-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2007-07-01

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

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

    International Nuclear Information System (INIS)

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

    2006-01-01

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

  5. Metal release behavior of surface oxidized stainless steels into flowing high temperature pure water

    International Nuclear Information System (INIS)

    Fujiwara, Kazuo; Tomari, Haruo; Nakayama, Takenori; Shimogori, Kazutoshi; Ishigure, Kenkichi; Matsuura, Chihiro; Fujita, Norihiko; Ono, Shoichi.

    1987-01-01

    In order to clarify the effect of oxidation treatment of Type 304 SS on the inhibition of metal release into high temperature pure water, metal release rate of individual alloying element into flowing deionized water containing 50 ppb dissolved oxygen was measured as the function of exposure time on representative specimens oxidized in air and steam. The behavior of metal release was also discussed in relation to the structure of surface films. Among the alloying elements the amount of Fe ion, Cr ion and Fe crud in high temperature pure water tended to saturate with the exposure time and that of Ni ion and Co ion tended to increase monotonously with the exposure time for all specimens tested. And the treatment of steam-oxidation was the most effective to decrease the metal release of alloying elements and the treatment by air-oxidation also decreased the metal release. These tendencies were confirmed to correlate well with the structure of the surface films as it was in the results in the static autoclave test. (author)

  6. Novel Size and Surface Oxide Effects in Silicon Nanowires as Lithium Battery Anodes

    KAUST Repository

    McDowell, Matthew T.

    2011-09-14

    With its high specific capacity, silicon is a promising anode material for high-energy lithium-ion batteries, but volume expansion and fracture during lithium reaction have prevented implementation. Si nanostructures have shown resistance to fracture during cycling, but the critical effects of nanostructure size and native surface oxide on volume expansion and cycling performance are not understood. Here, we use an ex situ transmission electron microscopy technique to observe the same Si nanowires before and after lithiation and have discovered the impacts of size and surface oxide on volume expansion. For nanowires with native SiO2, the surface oxide can suppress the volume expansion during lithiation for nanowires with diameters <∼50 nm. Finite element modeling shows that the oxide layer can induce compressive hydrostatic stress that could act to limit the extent of lithiation. The understanding developed herein of how volume expansion and extent of lithiation can depend on nanomaterial structure is important for the improvement of Si-based anodes. © 2011 American Chemical Society.

  7. Nanosecond Surface Microdischarges in Multilayer Structures

    Science.gov (United States)

    Dubinov, A. E.; Lyubimtseva, V. A.

    2018-05-01

    Multilayer structures in which nanosecond surface microdischarges are generated have been developed, fabricated, and investigated. In these structures, layers are made in the form of thin transparent films, and a plasma discharge channel is formed in thin spacings between the layers. Passage of the discharge channel from one layer into the neighboring layer is implemented via pre-fabricated microholes. Images of microdischarges were obtained which confirmed that their plasma channels are formed according to the route assigned by the holes. The route may follow a fairly complex scheme and have self-intersection points and portions in which the electrons are bound to move in opposition to the electric field. In studying the shape of channels in multilayer strictures, the authors have found a new physical effect which lies in the azimuthal self-orientation of the discharge channel as it passes from one microhole to another.

  8. Complementary structure for designer localized surface plasmons

    Science.gov (United States)

    Gao, Zhen; Gao, Fei; Zhang, Youming; Zhang, Baile

    2015-11-01

    Magnetic localized surface plasmons (LSPs) supported on metallic structures corrugated by very long and curved grooves have been recently proposed and demonstrated on an extremely thin metallic spiral structure (MSS) in the microwave regime. However, the mode profile for the magnetic LSPs was demonstrated by measuring only the electric field, not the magnetic field. Here, based on Babinet's principle, we propose a Babinet-inverted, or complementary MSS whose electric/magnetic mode profiles match the magnetic/electric mode profiles of MSS. This complementarity of mode profiles allows mapping the magnetic field distribution of magnetic LSP mode profile on MSS by measuring the electric field distribution of the corresponding mode on complementary MSS. Experiment at microwave frequencies also demonstrate the use of complementary MSS in sensing refractive-index change in the environment.

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

    Science.gov (United States)

    Story, Mary E.; Webler, Bryan A.

    2018-05-01

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

  10. Mg-Fe-mixed oxides derived from layered double hydroxides: A study of the surface properties

    Directory of Open Access Journals (Sweden)

    Marinković-Nedučin Radmila P.

    2011-01-01

    Full Text Available The influence of surface properties on the selectivity of the synthesized catalysts was studied, considering that their selectivity towards particular hydrocarbons is crucial for their overall activity in the chosen Fischer- -Tropsch reaction. Magnesium- and iron-containing layered double hydroxides (LDH, with the general formula: [Mg1-xFex(OH2](CO3x/2?mH2O, x = = n(Fe/(n(Mg+n(Fe, synthesized with different Mg/Fe ratio and their thermally derived mixed oxides were investigated. Magnesium was chosen because of its basic properties, whereas iron was selected due to its well-known high Fischer-Tropsch activity, redox properties and the ability to form specific active sites in the layered LDH structure required for catalytic application. The thermally less stable multiphase system (synthesized outside the optimal single LDH phase range with additional Fe-phase, having a lower content of surface acid and base active sites, a lower surface area and smaller fraction of smaller mesopores, showed higher selectivity in the Fischer-Tropsch reaction. The results of this study imply that the metastability of derived multiphase oxides structure has a greater influence on the formation of specific catalyst surface sites than other investigated surface properties.

  11. [Distribution and Diversity of Ammonium-oxidizing Archaea and Ammonium-oxidizing Bacteria in Surface Sediments of Oujiang River].

    Science.gov (United States)

    Li, Hu; Huang, Fu-yi; Su, Jian-qiang; Hong, You-wei; Yu, Shen

    2015-12-01

    Ammonia-oxidizing archaea (AOA) and ammonia-oxidizing bacteria (AOB) play important roles in the biogeochemical nitrogen cycle. Rivers are important ecosystems containing a large number of functional microbes in nitrogen cycle. In this study, denaturing gradient gel electrophoresis (DGGE ) and real-time quantitative PCR (qPCR) technology were used to analyze the distribution and diversity of AOA and AOB in sediments from Oujiang. The results showed that the AOA community structure was similar among various sites, while the AOB community structure was significantly different, in which all detected AOB sequences were classified into Nitrosospira and Nitrosomonas, and 90% affiliated to Nitrosospira. The community composition of AOA was influenced by NH₄⁺ and TS, in addition, the AOB composition was affected by NH₄⁺, EC, pH, NO₃⁻, TC and TN. Total sulfur (TS) and electrical conductivity (EC) were the major factors influencing the diversity of AOA and AOB, respectively. AOA abundance was significantly higher than that of AOB. EC, NH₄⁺-N and NO₃⁻-N were the main environmental factors affecting the abundance of AOA and AOB. This study indicated that the community composition and diversity of AOA and AOB were significantly influenced by environmental factors, and AOA might be dominant drivers in the ammonia oxidation process in Oujiang surface sediment.

  12. Adsorption behavior of oxidized galactomannans onto amino terminated surfaces and their interaction with bovine serum albumin

    International Nuclear Information System (INIS)

    Sierakowski, M.-R; Silva, Maria R.V. da; Freitas, R.A.; Moreira, Jose S.R.; Fujimoto, J.; Petri, D.F.S.; Cordeiro, Paulo R.D.; Andrade, Fabiana D.

    2001-01-01

    A galactomannan (CF) extracted from Cassia fastuosa seeds was purified and oxidized with (2,2,6,6- tetramethylpiperidine-1-oxyl) to form a uronic acid-containing polysaccharide (CFOX) with a degree of oxidation (DO) of 0.22. The chemical structures of CF and CFOX were characterized. The adsorption behavior of CF and CFOX onto amino-terminated surfaces was studied by means of ellipsometric measurements. The influence of p H and ionic strength on the adsorption was also investigated. At p H 4, there was a maximum in the adsorbed amount caused by strong electrostatic attraction between the substrate and the oxidized galactomannans. There was no ionic strength effect on the adsorption behavior. The immobilization of bovine serum albumin onto CF and CFOX was studied as a function of p H. At the isoelectric point a maximum in the adsorbed amount was found. (author)

  13. Adsorption behavior of oxidized galactomannans onto amino terminated surfaces and their interaction with bovine serum albumin

    Energy Technology Data Exchange (ETDEWEB)

    Sierakowski, M.-R; Silva, Maria R.V. da [Universidade Federal do Parana, Curitiba, PR (Brazil). Dept. de Quimica. Lab. de Biopolimeros]. E-mail: mrbiopol@quimica.ufpr.br; Freitas, R.A.; Moreira, Jose S.R. [Universidade Federal do Parana, Curitiba, PR (Brazil). Dept. de Bioquimica; Fujimoto, J.; Petri, D.F.S.; Cordeiro, Paulo R.D. [Sao Paulo Univ., SP (Brazil). Inst. de Quimica]. E-mail: dfsp@quim.iq.usp.br; Andrade, Fabiana D

    2001-07-01

    A galactomannan (CF) extracted from Cassia fastuosa seeds was purified and oxidized with (2,2,6,6- tetramethylpiperidine-1-oxyl) to form a uronic acid-containing polysaccharide (CFOX) with a degree of oxidation (DO) of 0.22. The chemical structures of CF and CFOX were characterized. The adsorption behavior of CF and CFOX onto amino-terminated surfaces was studied by means of ellipsometric measurements. The influence of p H and ionic strength on the adsorption was also investigated. At p H 4, there was a maximum in the adsorbed amount caused by strong electrostatic attraction between the substrate and the oxidized galactomannans. There was no ionic strength effect on the adsorption behavior. The immobilization of bovine serum albumin onto CF and CFOX was studied as a function of p H. At the isoelectric point a maximum in the adsorbed amount was found. (author)

  14. The growth and evolution of thin oxide films on delta-plutonium surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Garcia Flores, Harry G [Los Alamos National Laboratory; Pugmire, David L [Los Alamos National Laboratory

    2009-01-01

    The common oxides of plutonium are the dioxide (PuO{sub 2}) and the sesquioxide (Pu{sub 2}O{sub 3}). The structure of an oxide on plutonium metal under air at room temperature is typically described as a thick PuO{sub 2} film at the gas-oxide interface with a thinner PuO{sub 2} film near the oxide-metal substrate interface. In a reducing environment, such as ultra high vacuum, the dioxide (Pu{sup 4+}; O/Pu = 2.0) readily converts to the sesquioxide (Pu{sup 3+}; O/Pu = 1.5) with time. In this work, the growth and evolution of thin plutonium oxide films is studied with x-ray photoelectron spectroscopy (XPS) under varying conditions. The results indicate that, like the dioxide, the sesquioxide is not stable on a very clean metal substrate under reducing conditions, resulting in substoichiometric films (Pu{sub 2}O{sub 3-y}). The Pu{sub 2}O{sub 3-y} films prepared exhibit a variety of stoichiometries (y = 0.2-1) as a function of preparation conditions, highlighting the fact that caution must be exercised when studying plutonium oxide surfaces under these conditions and interpreting resulting data.

  15. Effect Of Ethylene Oxide, Autoclave and Ultra Violet Sterilizations On Surface Topography Of Pet Electrospun Fibers

    Directory of Open Access Journals (Sweden)

    Sebnem DUZYER

    2016-11-01

    Full Text Available The aim of this study to investigate the effects of different sterilization methods on electrospun polyester. Ethylene oxide (EO, autoclave (AU and ultraviolet (UV sterilization methods were applied to electrospun fibers produced from polyethylene terephthalate (PET solutions with concentrations of 10, 15 and 20 wt.%. The surface characteristics of the fibers were examined by scanning electron microscope (SEM, atomic force microscope (AFM, surface pore size studies and contact angle measurements. Differential scanning calorimetry (DSC tests were carried out to characterize the thermal properties. Fourier Transform Infrared spectroscopy (FTIR tests were performed to analyze the micro structural properties. SEM studies showed that different sterilization methods made significant changes on the surfaces of the fibers depending on the PET concentration. Although the effects were decreased with the increasing polymer concentration, the fiber structure was damaged especially with the EO sterilization. The contact angle values were decreased with the UV sterilization method the most.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2005-06-15

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

  17. About the optical properties of oxidized black silicon structures

    Science.gov (United States)

    Pincik, E.; Brunner, R.; Kobayashi, H.; Mikula, M.; Kučera, M.; Švec, P.; Greguš, J.; Vojtek, P.; Zábudlá, Z.; Imamura, K.; Zahoran, M.

    2017-02-01

    The paper deals with the optical and morphological properties of thermally oxidized black silicon (OBSi) nano-crystalline specimens produced by the surface structure chemical transfer method (SSCT). This method can produce a nano-crystalline Si black color layer on c-Si with a range of thickness of ∼50 nm to ∼300 nm by the contact of c-Si immersed in chemical solutions HF + H2O2 with a catalytic mesh. We present and discuss mainly the photoluminescence properties of both polished c-Si and OBSi structures, respectively. The similar photoluminescence (PL) behaviors recorded at liquid helium (6 K) and room temperatures on both polished crystalline Si and OBSi samples, respectively, indicate the similar origin of recorded luminescence light. As the positions of PL maxima of OBSi structures are mainly related to the size of Si nanocrystallites and SiO(x), we therefore suppose that the size of the dominant parts of the luminated OBSi nanostructure is pre-determined by the used polishing Si procedure, and/or the distribution function of the number of formed crystallites on their size is very similar. The blue shift of both PL spectra reaching almost value of 0.40 eV observed after the decrease of the sample temperature to 6 K we relate also with the change of the semiconductor band gap width.

  18. Thermocapillary droplet actuation on structured solid surfaces

    Science.gov (United States)

    Karapetsas, George; Chamakos, Nikolaos T.; Papathanasiou, Athanasios G.

    2017-11-01

    The present work investigates, through 2D and 3D finite element simulations, the thermocapillary-driven flow inside a droplet which resides on a non-uniformly heated patterned surface. We employ a recently proposed sharp-interface scheme capable of efficiently modelling the flow over complicate surfaces and consider a wide range of substrate wettabilities, i.e. from hydrophilic to super-hydrophobic surfaces. Our simulations indicate that due to the presence of the solid structures and the induced effect of contact angle hysteresis, inherently predicted by our model, a critical thermal gradient arises beyond which droplet migration is possible, in line with previous experimental observations. The migration velocity as well as the direction of motion depends on the combined action of the net mechanical force along the contact line and the thermocapillary induced flow at the liquid-air interface. We also show that through a proper control and design of the substrate wettability, the contact angle hysteresis and the induced flow field it is possible to manipulate the droplet dynamics, e.g. controlling its motion along a predefined track or entrapping by a wetting defect a droplet based on its size as well as providing appropriate conditions for enhanced mixing inside the droplet. Funding from the European Research Council under the Europeans Community's Seventh Framework Programme (FP7/2007-2013)/ERC Grant agreement no. [240710] is acknowledged.

  19. Surface modification of iron oxide nanoparticles and their conjuntion with water soluble polymers for biomedical application

    International Nuclear Information System (INIS)

    Nguyen Thanh Huong; Lam Thi Kieu Giang; Nguyen Thanh Binh; Le Quoc Minh

    2009-01-01

    Superparamagnetic iron oxide nanoparticles (SPION) coated with suitable bio-compatible substances have been used in biomedicine, particularly in magnetic resonance imaging (MRI), tissue engineering, and hyperthermia and drug delivery. In this study, we describe the synthesis of SPION and its surface modification for in-vitro experiments. The particle diameter and structure were estimated by FESEM, TEM, XRD analyses. The saturation magnetization was characterized. SPION with a mean size of 12 nm have been prepared under N 2 atmosphere, with support of natural polymeric starch, by controlling chemical coprecipitation of magnetite phase from aqueous solutions containing suitable salts ratios of Fe 2+ and Fe 3+ . The surface of SPION-nanoparticles was treated with a coordinatable agent for higher dispersion ability in water and remaining the superparamagnetic behavior. The prepared iron oxide nanoparticles were coated with starch, dextran, PEG or MPEG to extend the application potential in the quite different engineering field of nano biomedicine.

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

    KAUST Repository

    Kong, Desheng

    2011-06-28

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

  1. Adsorption of Different Fractions of Organic Matter on the Surface of Metal Oxide

    KAUST Repository

    Zaouri, Noor A

    2013-05-18

    The adsorption of different fractions of organic matter on the surface of Al2O3 and ZrO2 were investigated. The aim was to study the affinity of these fractions on the surface of metal oxide and the effect of several factors. Batch adsorption experiments were conducted with Low molecular weight oxygenated compounds. These chemical compound have been chosen to investigate:1) the aliphatic and aromatic structurer;2)contribution of hydroxyl group and; 3) the number of carboxyl group. HPLC and IC analysis used for determent the concentration of these chemical in the working solution. ATR-FTIR used to distinguish the type of coordination structure with the surface of metal oxide. The results fitted with Langmuir equation. The results showed that the chemical structure and the type and number of attached functional have an impact on the adsorption. Which it was proved via ATR-FTIR where the result showed that each chemical have different coordination structure on the surface of ZrO2 and Al2O3. Different fractions and sources of NOM were used (hydrophobic fraction of Suwannee and Colorado River, biopolymers extracted for the exuded of 2 species of algae, and low molecular acids that do not adsorb in XAD-8 resin). Results showed that these different fractions have different affinity with the surface of Al2O3 and ZrO2. These adsorption behaviors were varying according to the difference in the component of each NOM. Biopolymers showed significant adsorption at acidic pH. These biopolymers are mainly comprised of polysaccharides and this result proved that polysaccharide adsorb on the surface of ZrO2 more than Al2O3.

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

    Science.gov (United States)

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

    1987-01-01

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

  3. Prediction of iodide adsorption on oxides by surface complexation modeling with spectroscopic confirmation.

    Science.gov (United States)

    Nagata, Takahiro; Fukushi, Keisuke; Takahashi, Yoshio

    2009-04-15

    A deficiency in environmental iodine can cause a number of health problems. Understanding how iodine is sequestered by materials is helpful for evaluating and developing methods for minimizing human health effects related to iodine. In addition, (129)I is considered to be strategically important for safety assessment of underground radioactive waste disposal. To assess the long-term stability of disposed radioactive waste, an understanding of (129)I adsorption on geologic materials is essential. Therefore, the adsorption of I(-) on naturally occurring oxides is of environmental concern. The surface charges of hydrous ferric oxide (HFO) in NaI electrolyte solutions were measured by potentiometric acid-base titration. The surface charge data were analyzed by means of an extended triple-layer model (ETLM) for surface complexation modeling to obtain the I(-) adsorption reaction and its equilibrium constant. The adsorption of I(-) was determined to be an outer-sphere process from ETLM analysis, which was consistent with independent X-ray absorption near-edge structure (XANES) observation of I(-) adsorbed on HFO. The adsorption equilibrium constants for I(-) on beta-TiO(2) and gamma-Al(2)O(3) were also evaluated by analyzing the surface charge data of these oxides in NaI solution as reported in the literature. Comparison of these adsorption equilibrium constants for HFO, beta-TiO(2), and gamma-Al(2)O(3) based on site-occupancy standard states permitted prediction of I(-) adsorption equilibrium constants for all oxides by means of the Born solvation theory. The batch adsorption data for I(-) on HFO and amorphous aluminum oxide were reasonably reproduced by ETLM with the predicted equilibrium constants, confirming the validity of the present approach. Using the predicted adsorption equilibrium constants, we calculated distribution coefficient (K(d)) values for I(-) adsorption on common soil minerals as a function of pH and ionic strength.

  4. Vanadium and molybdenum oxide thin films on Au(111). Growth and surface characterization

    Energy Technology Data Exchange (ETDEWEB)

    Guimond, Sebastien

    2009-06-04

    The growth and the surface structure of well-ordered V{sub 2}O{sub 3}, V{sub 2}O{sub 5} and MoO{sub 3} thin films have been investigated in this work. These films are seen as model systems for the study of elementary reaction steps occurring on vanadia and molybdena-based selective oxidation catalysts. It is shown that well-ordered V{sub 2}O{sub 3}(0001) thin films can be prepared on Au(111). The films are terminated by vanadyl groups which are not part of the V{sub 2}O{sub 3} bulk structure. Electron irradiation specifically removes the oxygen atoms of the vanadyl groups, resulting in a V-terminated surface. The fraction of removed vanadyl groups is controlled by the electron dose. Such surfaces constitute interesting models to probe the relative role of both the vanadyl groups and the undercoordinated V ions at the surface of vanadia catalysts. The growth of well-ordered V{sub 2}O{sub 5}(001) and MoO{sub 3}(010) thin films containing few point defects is reported here for the first time. These films were grown on Au(111) by oxidation under 50 mbar O{sub 2} in a dedicated high pressure cell. Contrary to some of the results found in the literature, the films are not easily reduced by annealing in UHV. This evidences the contribution of radiation and surface contamination in some of the reported thermal reduction experiments. The growth of ultrathin V{sub 2}O{sub 5} and MoO{sub 3} layers on Au(111) results in formation of interface-specific monolayer structures. These layers are coincidence lattices and they do not correspond to any known oxide bulk structure. They are assumed to be stabilized by electronic interaction with Au(111). Their formation illustrates the polymorphic character and the ease of coordination units rearrangement which are characteristic of both oxides. The formation of a second layer apparently precedes the growth of bulk-like crystallites for both oxides. This observation is at odds with a common assumption that crystals nucleate as soon as a

  5. Vanadium and molybdenum oxide thin films on Au(111). Growth and surface characterization

    International Nuclear Information System (INIS)

    Guimond, Sebastien

    2009-01-01

    The growth and the surface structure of well-ordered V 2 O 3 , V 2 O 5 and MoO 3 thin films have been investigated in this work. These films are seen as model systems for the study of elementary reaction steps occurring on vanadia and molybdena-based selective oxidation catalysts. It is shown that well-ordered V 2 O 3 (0001) thin films can be prepared on Au(111). The films are terminated by vanadyl groups which are not part of the V 2 O 3 bulk structure. Electron irradiation specifically removes the oxygen atoms of the vanadyl groups, resulting in a V-terminated surface. The fraction of removed vanadyl groups is controlled by the electron dose. Such surfaces constitute interesting models to probe the relative role of both the vanadyl groups and the undercoordinated V ions at the surface of vanadia catalysts. The growth of well-ordered V 2 O 5 (001) and MoO 3 (010) thin films containing few point defects is reported here for the first time. These films were grown on Au(111) by oxidation under 50 mbar O 2 in a dedicated high pressure cell. Contrary to some of the results found in the literature, the films are not easily reduced by annealing in UHV. This evidences the contribution of radiation and surface contamination in some of the reported thermal reduction experiments. The growth of ultrathin V 2 O 5 and MoO 3 layers on Au(111) results in formation of interface-specific monolayer structures. These layers are coincidence lattices and they do not correspond to any known oxide bulk structure. They are assumed to be stabilized by electronic interaction with Au(111). Their formation illustrates the polymorphic character and the ease of coordination units rearrangement which are characteristic of both oxides. The formation of a second layer apparently precedes the growth of bulk-like crystallites for both oxides. This observation is at odds with a common assumption that crystals nucleate as soon as a monolayer is formed dur-ing the preparation of supported vanadia

  6. Atomic structure of the SnO2 (110) surface

    International Nuclear Information System (INIS)

    Godin, T.J.; LaFemina, J.P.

    1991-12-01

    Using a tight-binding, total-energy model, we examine atomic relaxations of the ideal stoichiometric and reduced tin oxide (11) surfaces. In both cases we find a nearly bond-length conserving rumple of the top layer, and a smaller counter-relaxation of the second layer. These calculations show no evidence of surface states in the band gap for either surface

  7. Hydrogen distribution in oxynitride/oxide structures

    NARCIS (Netherlands)

    Oude Elferink, J.B.; Heide, U.A. van der; Arnold Bik, W.M.; Habraken, F.H.P.M.; Weg, W.F. van der

    1987-01-01

    Silicon oxynitride films with five different O/N ratios were deposited with low pressure chemical vapor deposition on a silicon substrate covered with an oxide. The films were subjected to subsequent post-deposition anneals in N2 and H2 at 1000°C, and a H plasma at 300°C to obtain information about

  8. High temperature steam oxidation of Al3Ti-based alloys for the oxidation-resistant surface layer on Zr fuel claddings

    International Nuclear Information System (INIS)

    Park, Jeong-Yong; Kim, Il-Hyun; Jung, Yang-Il; Kim, Hyun-Gil; Park, Dong-Jun; Choi, Byung-Kwon

    2013-01-01

    We investigated the feasibility to apply Al 3 Ti-based alloys as the surface layer for improving the oxidation resistance of Zr fuel claddings under accident conditions. Two types of Al 3 Ti-based alloys with the compositions of Al–25Ti–10Cr and Al–21Ti–23Cr in atomic percent were prepared by arc-melting followed by homogenization annealing at 1423 K for 48 h. Al–25Ti–10Cr alloy showed an L1 2 quasi-single phase microstructure with a lot of needle-shaped minor phase and pores. Al–21Ti–23Cr alloy consisted of an L1 2 matrix and Cr 2 Al as the second phase. Al 3 Ti-based alloys showed an extremely low oxidation rate in a 1473 K steam for up to 7200 s when compared to Zircaloy-4. Both alloys exhibited almost the same oxidation rate in the early stage of oxidation, but Al–25Ti–10Cr showed a little lower oxidation rate after 4000 s than Al–21Ti–23Cr. The difference in the oxidation rate between two types of Al 3 Ti-based alloys was too marginal to distinguish the oxidation behavior of each alloy. The resultant oxide exhibited almost the same characteristics in both alloys even though the microstructure was explicitly distinguished from each other. The crystal structure of the oxide formed up to 2000 s was identified as Al 2 O 3 in both alloys. The oxide morphology consisted of columnar grains whose length was almost identical to the average oxide thickness. On the basis of the results obtained, it is considered that Al 3 Ti-based alloy is one of the promising candidates for the oxidation-resistant surface layer on Zr fuel claddings

  9. Learning surface molecular structures via machine vision

    Science.gov (United States)

    Ziatdinov, Maxim; Maksov, Artem; Kalinin, Sergei V.

    2017-08-01

    Recent advances in high resolution scanning transmission electron and scanning probe microscopies have allowed researchers to perform measurements of materials structural parameters and functional properties in real space with a picometre precision. In many technologically relevant atomic and/or molecular systems, however, the information of interest is distributed spatially in a non-uniform manner and may have a complex multi-dimensional nature. One of the critical issues, therefore, lies in being able to accurately identify (`read out') all the individual building blocks in different atomic/molecular architectures, as well as more complex patterns that these blocks may form, on a scale of hundreds and thousands of individual atomic/molecular units. Here we employ machine vision to read and recognize complex molecular assemblies on surfaces. Specifically, we combine Markov random field model and convolutional neural networks to classify structural and rotational states of all individual building blocks in molecular assembly on the metallic surface visualized in high-resolution scanning tunneling microscopy measurements. We show how the obtained full decoding of the system allows us to directly construct a pair density function—a centerpiece in analysis of disorder-property relationship paradigm—as well as to analyze spatial correlations between multiple order parameters at the nanoscale, and elucidate reaction pathway involving molecular conformation changes. The method represents a significant shift in our way of analyzing atomic and/or molecular resolved microscopic images and can be applied to variety of other microscopic measurements of structural, electronic, and magnetic orders in different condensed matter systems.

  10. Crystalline oxides on semiconductors: A structural transition of the interface phase

    Science.gov (United States)

    Walker, F. J.; Buongiorno-Nardelli, Marco; Billman, C. A.; McKee, R. A.

    2004-03-01

    The growth of crystalline oxides on silicon is facilitated by the preparation of a surface phase of alkaline earth silicide. We describe how the surface phase serves as a precursor of the final interface phase using reflection high energy electron diffraction (RHEED) and density functional theory (DFT). RHEED intensity oscillations of the growth of BaSrO show layer-by-layer build up of the oxide on the interface. The 2x1 symmetry of the surface precursor persists up to 3 ML BaSrO coverage at which point a 1x1 pattern characteristic of the rock-salt structure of BaSrO is observed. Prior to 3 ML growth of alkaline earth oxide, DFT calculations and RHEED show that the surface precursor persists as the interface phase and induces large displacements in the growing oxide layer away from the rock-salt structure and having a 2x1 symmetry. These distortions of the rock-salt structure are energetically unfavorable and become more unfavorable as the oxide thickness increases. At 3 ML, the stability of the rock-salt structure drives a structural transformation of the film and the interface phase to a structure that is distinct from the surface precursor. Research sponsored jointly by the Division of Materials Sciences and Engineering, Office of Basic Energy Sciences, U.S. Department of Energy at Oak Ridge National Laboratory under contract DE-AC05-00OR22725 with UT-Battelle, LLC and at the University of Tennessee under contract DE-FG02-01ER45937. Calculations have been performed on CCS supercomputers at Oak Ridge National Laboratory.

  11. Effect of Magnesium Oxide Nanoparticles on Water Glass Structure

    Directory of Open Access Journals (Sweden)

    Bobrowski A.

    2012-09-01

    Full Text Available An attempt has been made to determine the effect of an addition of colloidal suspensions of the nanoparticles of magnesium oxide on the structure of water glass, which is a binder for moulding and core sands. Nanoparticles of magnesium oxide MgO in propanol and ethanol were introduced in the same mass content (5wt.% and structural changes were determined by measurement of the FT-IR absorption spectra.

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

    DEFF Research Database (Denmark)

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

    2012-01-01

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

  13. Structured mesoporous Mn, Fe, and Co oxides: Synthesis, physicochemical, and catalytic properties

    Science.gov (United States)

    Maerle, A. A.; Karakulina, A. A.; Rodionova, L. I.; Moskovskaya, I. F.; Dobryakova, I. V.; Egorov, A. V.; Romanovskii, B. V.

    2014-02-01

    Structured mesoporous Mn, Fe, and Co oxides are synthesized using "soft" and "hard" templates; the resulting materials are characterized by XRD, SEM, TEM, BET, and TG. It is shown that in the first case, the oxides have high surface areas of up to 450 m2/g that are preserved after calcination of the material up to 300°C. Even though, the surface area of the oxides prepared by the "hard-template" method does not exceed 100 m2/g; it is, however, thermally stable up to 500°C. Catalytic activity of mesoporous oxides in methanol conversion was found to depend on both the nature of the transition metal and the type of template used in synthesis.

  14. Stability of Ruddlesden-Popper-structured oxides in humid conditions

    Science.gov (United States)

    Lehtimäki, M.; Yamauchi, H.; Karppinen, M.

    2013-08-01

    Some of layered transition-metal oxides are known to react with atmospheric humidity to form through topotactic intercalation reactions new water-containing layered structures. Here we investigate the influence of oxygen content (7-δ) of the Ruddlesden-Popper-structured Sr3FeMO7-δ (M=Ni, Mn, Ti) oxides on the water-intercalation reaction. It is found that their oxygen contents influence greatly the reactivity of the phases with water. Other factors possibly affecting the reactivity are discussed on the basis of the present data in combination with a comprehensive review of previous works on Ruddlesden-Popper and related layered oxide phases.

  15. Electronic structure in high temperature superconducting oxides

    International Nuclear Information System (INIS)

    Howell, R.H.; Sterne, P.; Solal, F.; Fluss, M.J.; Tobin, J.; O'Brien, J.; Radousky, H.B.; Haghighi, H.; Kaiser, J.H.; Rayner, S.L.; West, R.N.; Liu, J.Z.; Shelton, R.; Olsen, C.G.; Gu, C.; Kitazawa, K.; Kojima, H.

    1991-01-01

    We have performed measurements on entwined single crystals of YBCO using both photoemission and positron angular correlation of annihilation radiation and on single crystals of LSCO using only angular correlation. Fermi surface features in good agreement with band theory were found and identified in all of the measurements. In photoemission the Fermi momentum was fixed for several points and the band dispersion below the Fermi energy was mapped. In positron angular correlation measurements the shape of the Fermi surface was mapped for the CuO chains (YBCO) and the CuO planes (LSCO). Demonstration of the existence of Fermi surfaces in the HTSC materials points a direction for future theoretical considerations

  16. Fabrication of ultra-thin cerium oxide layers on Ru(0001) single crystal surfaces. Scanning tunneling microscopic and photoelectron spectroscopic studies on growth, structure and properties; Herstellung ultraduenner Ceroxidschichten auf Ru(0001)-Einkristallflaechen. Rastertunnelmikroskopische und photoelektronenspektroskopische Untersuchungen zu Wachstum, Struktur und Eigenschaften

    Energy Technology Data Exchange (ETDEWEB)

    Bouchtaoui, Mustapha

    2016-12-07

    The thesis at hand aims at a study of structure and properties of well-defined ultrathin CeO{sub 2} films supported on Ru(0001). Such systems may serve as model systems in heterogenous catalysis. The epitaxial growth of ceria films on Ru(0001) surface has been achieved by electron beam evaporation of metal Cer at low background oxygen pressure of 10{sup -6} mbar under ultrahigh-vacuum conditions at room temperature. Cerium oxide qualifies for proper oxygen-storage in oxidation reactions, and hence it widely used in heterogenous catalysis. The oxidation begins with the adsorption of CO on the CeO{sub 2}(111) surface, and it ends with participation of lattice oxygen leading to vacancy formation and CO{sub 2} desorption. We investigate the geometric structure by means of scanning tunneling microscopy and low energy electron diffraction. The coverage of 2.5 monolayers (ML) was sufficient to cover the substrate almost completely. We further analysed the interaction of CO with the CeO{sub 2}/Ru(0001) and the Pt/CeO{sub 2}/Ru(0001) systems. During the interaction process the ratio of Ce{sup 4+} and Ce{sup 3+} changes significantly. This ratio change as well as the effect of Pt evaporated onto the surface with respect to the reducibility of CeO{sub 2}/Ru(0001) in CO environment has been studied by X-ray photoemission spectroscopy and it has been confirmed with thermal desorption spectroscopy. It is revealed that the Pt-Nanoparticles with a height from 7.15 Aa to 9.73 Aa clearly enhances the reducibility of CeO{sub 2}.

  17. THERMAL TOMOGRAPHY OF ASTEROID SURFACE STRUCTURE

    Energy Technology Data Exchange (ETDEWEB)

    Harris, Alan W.; Drube, Line, E-mail: alan.harris@dlr.de [German Aerospace Center (DLR) Institute of Planetary Research, Rutherfordstrasse 2, D-12489 Berlin (Germany)

    2016-12-01

    Knowledge of the surface thermal inertia of an asteroid can provide insight into its surface structure: porous material has a lower thermal inertia than rock. We develop a means to estimate thermal inertia values of asteroids and use it to show that thermal inertia appears to increase with spin period in the case of main-belt asteroids (MBAs). Similar behavior is found on the basis of thermophysical modeling for near-Earth objects (NEOs). We interpret our results in terms of rapidly increasing material density and thermal conductivity with depth, and provide evidence that thermal inertia increases by factors of 10 (MBAs) to 20 (NEOs) within a depth of just 10 cm. Our results are consistent with a very general picture of rapidly changing material properties in the topmost regolith layers of asteroids and have important implications for calculations of the Yarkovsky effect, including its perturbation of the orbits of potentially hazardous objects and those of asteroid family members after the break-up event. Evidence of a rapid increase of thermal inertia with depth is also an important result for studies of the ejecta-enhanced momentum transfer of impacting vehicles (“kinetic impactors”) in planetary defense.

  18. Protein-mediated surface structuring in biomembranes

    Directory of Open Access Journals (Sweden)

    Maggio B.

    2005-01-01

    Full Text Available The lipids and proteins of biomembranes exhibit highly dissimilar conformations, geometrical shapes, amphipathicity, and thermodynamic properties which constrain their two-dimensional molecular packing, electrostatics, and interaction preferences. This causes inevitable development of large local tensions that frequently relax into phase or compositional immiscibility along lateral and transverse planes of the membrane. On the other hand, these effects constitute the very codes that mediate molecular and structural changes determining and controlling the possibilities for enzymatic activity, apposition and recombination in biomembranes. The presence of proteins constitutes a major perturbing factor for the membrane sculpturing both in terms of its surface topography and dynamics. We will focus on some results from our group within this context and summarize some recent evidence for the active involvement of extrinsic (myelin basic protein, integral (Folch-Lees proteolipid protein and amphitropic (c-Fos and c-Jun proteins, as well as a membrane-active amphitropic phosphohydrolytic enzyme (neutral sphingomyelinase, in the process of lateral segregation and dynamics of phase domains, sculpturing of the surface topography, and the bi-directional modulation of the membrane biochemical reactivity.

  19. Intrinsically water-repellent copper oxide surfaces; An electro-crystallization approach

    Science.gov (United States)

    Akbari, Raziyeh; Ramos Chagas, Gabriela; Godeau, Guilhem; Mohammadizadeh, Mohammadreza; Guittard, Frédéric; Darmanin, Thierry

    2018-06-01

    Use of metal oxide thin layers is increased due to their good durability under environmental conditions. In this work, the repeatable nanostructured crystalite Cu2O thin films, developed by electrodeposition method without any physical and chemical modifications, demonstrate good hydrophobicity. Copper (I) oxide (Cu2O) layers were fabricated on gold/Si(1 0 0) substrates by different electrodeposition methods i.e. galvanostatic deposition, cyclic voltammetry, and pulse potentiostatic deposition and using copper sulfate (in various concentrations) as a precursor. The greatest crystalline face on prepared Cu2O samples is (1 1 1) which is the most hydrophobic facet of Cu2O cubic structure. Indeed, different crystallite structures such as nanotriangles and truncated octahedrons were formed on the surface for various electrodeposition methods. The increase of the contact angle (θw) measured by the rest time, reaching to about 135°, was seen at different rates and electrodeposition methods. In addition, two-step deposition surfaces were also prepared by applying two of the mentioned methods, alternatively. In general, the morphology of the two-step deposition surfaces showed some changes compared to that of one-step samples, allowing the formation of different crystallite shapes. Moreover, the wettability behavior showd the larger θw of the two-step deposition layers compared to the related one-step deposition layers. Therefore, the highest observed θw was related to the one of two-step deposition layers due to the creation of small octahedral structures on the surface, having narrow and deep valleys. However, there was an exception which was due to the resulted big structures and broad valleys on the surface. So, it is possible to engineer different crystallites shapes using the proposed two-step deposition method. It is expected that hydrophobic crystallite thin films can be used in environmental and electronic applications to save energy and materials properties.

  20. Low-temperature oxidation effects on the morphological and structural properties of hexagonal Zn nano disks

    Energy Technology Data Exchange (ETDEWEB)

    Lopez, R.; Villa S, G.; Rosales D, J. [Tecnologico de Estudios Superiores de Jocotitlan, Carretera Toluca-Atlacomulco Km 44.8, Jocotitlan, Estado de Mexico (Mexico); Vigueras S, E.; Hernandez L, S. [Universidad Autonoma del Estado de Mexico, Laboratorio de Investigacion y Desarrollo de Materiales Avanzados, Paseo Colon esquina Paseo Tollocan, Toluca, Estado de Mexico (Mexico); Acuna, P. [Universidad Autonoma del Estado de Mexico, Programa de Doctorado en Ciencia de Materiales, Paseo Colon esquina Paseo Tollocan, Toluca, Estado de Mexico (Mexico); Argueta V, A.; Colin B, N., E-mail: lorr810813@gmail.com [Tecnologico de Estudios Superiores de Jocotitlan, Programa de Ingenieria Mecatronica, Carretera Toluca-Atlacomulco Km 44.8, Jocotitlan, Estado de Mexico (Mexico)

    2017-11-01

    Ambient-atmosphere oxidation in the temperature range of 90-450 degrees Celsius was performed over Zn films composed by well-faceted hexagonal nano disks, which were deposited by thermal evaporation. Morphological and structural properties of oxidized Zn nano disks were studied by scanning electron microscopy, transmission electron microscopy, energy dispersive spectroscopy, X-ray diffraction and Raman scattering measurements. It was found that Zn nano disks keep its original shape only when they are annealed at 90 or 150 degrees Celsius. Smooth oxidation occurred only on the rectangular faces of Zn nano disks heated at 150 degrees Celsius. Thermal oxidation at 250 degrees Celsius favored growth of Zn O nano needles over the surface of the Zn nano disks. Hexagonal-shape of Zn nano disks was transformed completely into a complex morphology composed by different shaped particles, with further increase in oxidation temperature to 450 degrees Celsius. (Author)

  1. Low-temperature oxidation effects on the morphological and structural properties of hexagonal Zn nano disks

    International Nuclear Information System (INIS)

    Lopez, R.; Villa S, G.; Rosales D, J.; Vigueras S, E.; Hernandez L, S.; Acuna, P.; Argueta V, A.; Colin B, N.

    2017-01-01

    Ambient-atmosphere oxidation in the temperature range of 90-450 degrees Celsius was performed over Zn films composed by well-faceted hexagonal nano disks, which were deposited by thermal evaporation. Morphological and structural properties of oxidized Zn nano disks were studied by scanning electron microscopy, transmission electron microscopy, energy dispersive spectroscopy, X-ray diffraction and Raman scattering measurements. It was found that Zn nano disks keep its original shape only when they are annealed at 90 or 150 degrees Celsius. Smooth oxidation occurred only on the rectangular faces of Zn nano disks heated at 150 degrees Celsius. Thermal oxidation at 250 degrees Celsius favored growth of Zn O nano needles over the surface of the Zn nano disks. Hexagonal-shape of Zn nano disks was transformed completely into a complex morphology composed by different shaped particles, with further increase in oxidation temperature to 450 degrees Celsius. (Author)

  2. Formation of oxide-trapped charges in 6H-SiC MOS structures

    Energy Technology Data Exchange (ETDEWEB)

    Yoshikawa, Masahito; Ohshima, Takeshi; Itoh, Hisayoshi; Nashiyama, Isamu [Japan Atomic Energy Research Inst., Takasaki, Gunma (Japan). Takasaki Radiation Chemistry Research Establishment; Okumura, Hajime; Yoshida, Sadafumi

    1997-03-01

    The silicon and the carbon faces of hexagonal silicon carbide (6H-SiC) substrates were oxidized pyrogenically at 1100degC, and the metal-oxide-semiconductor structures were formed on these faces. The MOS capacitors developed using the silicon and the carbon faces were irradiated with {sup 60}Co gamma-rays under argon atmosphere at room temperature. The bias voltages with the different polarity were applied to the gate electrode during irradiation to examine the formation mechanisms of the trapped charges in the oxides of these MOS capacitors. The amount of the trapped charges in the oxide were obtained from capacitance pulse voltage characteristics. The generation of the trapped charges are affects with not only the absorbed dose but also the bias polarity applied to the gate electrodes during irradiation. The formation mechanisms of the trapped charges in the oxides were estimated in conjunction with the surface orientation of 6H-SiC substrates. (author)

  3. Charge state of oxide layer of SIMOX-structures

    CERN Document Server

    Askinazi, A Y; Dmitriev, V A; Miloglyadova, L V

    2001-01-01

    The charge state of the oxide layer of the SIMOX-structures, obtained in the course of forming the oxide layers, bricked up in the silicon volume, through the oxygen ions implantation into the Si, is studied. The charge state of the given structures is studied through the method of the layer-by-layer profiling, which makes it possible to obtain the dependence of the plane zones potential on the oxide layer thickness. It is established, that during the process of the SIMOX-structures formation in the oxide layer near the boundary with the Si there appear defects, responsible for the charge. The radiation from the near-the-ultraviolet (NUV) area without the applied electric field neutralizes the given charge. The simultaneous impact of the NUV-radiation and electric field leads to the formation of significantly positive charge

  4. Copper oxide assisted cysteine hierarchical structures for immunosensor application

    Energy Technology Data Exchange (ETDEWEB)

    Pandey, Chandra Mouli [Biomedical Instrumentation Section, CSIR-National Physical Laboratory, New Delhi 110012 (India); Department of Chemistry, Faculty of Science, Banaras Hindu University, Varanasi 221005 (India); Sumana, Gajjala, E-mail: sumanagajjala@gmail.com [Biomedical Instrumentation Section, CSIR-National Physical Laboratory, New Delhi 110012 (India); Tiwari, Ida [Department of Chemistry, Faculty of Science, Banaras Hindu University, Varanasi 221005 (India)

    2014-09-08

    The present work describes the promising electrochemical immunosensing strategy based on copper (II) assisted hierarchical cysteine structures (CuCys) varying from star to flower like morphology. The CuCys having average size of 10 μm have been synthesised using L-Cysteine as initial precursor in presence of copper oxide under environmentally friendly conditions in aqueous medium. To delineate the synthesis mechanism, detailed structural investigations have been carried out using characterization techniques such as X-ray diffraction, transmission electron microscopy, and Fourier transform infrared spectroscopy. The electrochemical behaviour of self-assembled CuCys on gold electrode shows surface controlled electrode reaction with an apparent electron transfer rate constant of 3.38 × 10{sup −4 }cm s{sup −1}. This innovative platform has been utilized to fabricate an immunosensor by covalently immobilizing monoclonal antibodies specific for Escherichia coli O157:H7 (E. coli). Under the optimal conditions, the fabricated immunosensor is found to be sensitive and specific for the detection of E. coli with a detection limit of 10 cfu/ml.

  5. Structural evolution of tunneling oxide passivating contact upon thermal annealing.

    Science.gov (United States)

    Choi, Sungjin; Min, Kwan Hong; Jeong, Myeong Sang; Lee, Jeong In; Kang, Min Gu; Song, Hee-Eun; Kang, Yoonmook; Lee, Hae-Seok; Kim, Donghwan; Kim, Ka-Hyun

    2017-10-16

    We report on the structural evolution of tunneling oxide passivating contact (TOPCon) for high efficient solar cells upon thermal annealing. The evolution of doped hydrogenated amorphous silicon (a-Si:H) into polycrystalline-silicon (poly-Si) by thermal annealing was accompanied with significant structural changes. Annealing at 600 °C for one minute introduced an increase in the implied open circuit voltage (V oc ) due to the hydrogen motion, but the implied V oc decreased again at 600 °C for five minutes. At annealing temperature above 800 °C, a-Si:H crystallized and formed poly-Si and thickness of tunneling oxide slightly decreased. The thickness of the interface tunneling oxide gradually decreased and the pinholes are formed through the tunneling oxide at a higher annealing temperature up to 1000 °C, which introduced the deteriorated carrier selectivity of the TOPCon structure. Our results indicate a correlation between the structural evolution of the TOPCon passivating contact and its passivation property at different stages of structural transition from the a-Si:H to the poly-Si as well as changes in the thickness profile of the tunneling oxide upon thermal annealing. Our result suggests that there is an optimum thickness of the tunneling oxide for passivating electron contact, in a range between 1.2 to 1.5 nm.

  6. Photoelectron spectroscopy bulk and surface electronic structures

    CERN Document Server

    Suga, Shigemasa

    2014-01-01

    Photoelectron spectroscopy is now becoming more and more required to investigate electronic structures of various solid materials in the bulk, on surfaces as well as at buried interfaces. The energy resolution was much improved in the last decade down to 1 meV in the low photon energy region. Now this technique is available from a few eV up to 10 keV by use of lasers, electron cyclotron resonance lamps in addition to synchrotron radiation and X-ray tubes. High resolution angle resolved photoelectron spectroscopy (ARPES) is now widely applied to band mapping of materials. It attracts a wide attention from both fundamental science and material engineering. Studies of the dynamics of excited states are feasible by time of flight spectroscopy with fully utilizing the pulse structures of synchrotron radiation as well as lasers including the free electron lasers (FEL). Spin resolved studies also made dramatic progress by using higher efficiency spin detectors and two dimensional spin detectors. Polarization depend...

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

    Science.gov (United States)

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

    2015-12-01

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

  8. Surface molecular aggregation structure and surface physicochemical properties of poly(fluoroalkyl acrylate) thin films

    International Nuclear Information System (INIS)

    Honda, K; Yamaguchi, H; Takahara, A; Kobayashi, M; Morita, M

    2008-01-01

    Effect of side chain length on the molecular aggregation states and surface properties of poly(fluoroalkyl acrylate)s [PFA-C y , where y is fluoromethylene number in R f group] thin films were systematically investigated. Spin-coated PFA-C y thin films were characterized by static and dynamic contact angle measurements, X-ray photoelectron spectroscopy (XPS), and grazing- incidence X-ray diffraction (GIXD). The receding contact angles showed small values for PFA-C y with short side chain (y≤6) and increased above y≥8. GIXD revealed that fluoroalkyl side chain of PFA-C y with y≥8 was crystallized and formed ordered structures at the surface region as well as bulk one. These results suggest that water repellent mechanism of PFA-C y can be attributed to the presence of highly ordered fluoroalkyl side chains at the outermost surfaces. The results of XPS in the dry and hydrated states and contact angle measurement in water support the mechanism of lowering contact angle for water by exposure of carbonyl group to the water interface through reorientation of short fluoroalkyl chains. The surface nanotextured PFA-C 8 through imprinting of anodic aluminum oxide mold showed extremely high hydrophobicity as well as high oleophobicity

  9. Osteoblast growth behavior on porous-structure titanium surface

    Energy Technology Data Exchange (ETDEWEB)

    Tian Yuan; Ding Siyang; Peng Hui; Lu Shanming; Wang Guoping [Research Institute of Stomatology, Nanjing Medical University, Nanjing 210029 (China); Xia Lu, E-mail: shelueia@yahoo.com.cn [Research Institute of Stomatology, Nanjing Medical University, Nanjing 210029 (China); Wang Peizhi, E-mail: wangpzi@sina.com [Research Institute of Stomatology, Nanjing Medical University, Nanjing 210029 (China)

    2012-11-15

    Highlights: Black-Right-Pointing-Pointer Micro-arc oxidation technology formed a porous feature on titanium surface. Black-Right-Pointing-Pointer This porous surface accelerated adhesion, proliferation and differentiation compared with smooth surface. Black-Right-Pointing-Pointer Osteogenesis-related proteins and genes were up regulated by this porous surface. Black-Right-Pointing-Pointer It is anticipated that micro-arc oxidation surface could enhance osteoblastic activity and bone regeneration. - Abstract: A bioavailable surface generated by nano-technology could accelerate implant osteointegration, reduce healing time and enable implants to bear early loading. In this study, a nano-porous surface of titanium wafers was modified using micro-arc oxidation technique; surface of smooth titanium was used as control group. Surface characteristic was evaluated by investigating morphology, roughness and hydrophilicity of titanium wafers. In vitro studies, osteoblastic adhesion, proliferation and ALP activity, as well as gene and protein expressions relative to mineralization were assayed. Our results showed that a crater-liked nano-porous surface with greater roughness and better hydrophilicity were fabricated by micro-arc oxidation. It was further indicated that nano-porous surface could enhance adhesion, proliferation and ALP activity of osteoblasts compared with smooth surfaces. In addition, gene and protein expression of collagen-I, osteocalcin and osteopontin were also obviously increased. In summary, micro-arc oxidized techniques could form an irregular nano-porous morphology on implant surface which is favorable to improve osteoblastic function and prospected to be a potent modification of dental implant.

  10. Influence of surface phenomena in oxidative desulfurization with WOx/ZrO2 catalysts

    Science.gov (United States)

    Torres-García, E.; Canizal, G.; Velumani, S.; Ramírez-Verduzco, L. F.; Murrieta-Guevara, F.; Ascencio, J. A.

    2004-12-01

    Oil refinery related catalysis, particularly hydro desulfurization is viewed as a mature technology, but still we view that more efforts have to be made to boost the efficiency of the existing catalysts. So in this article we report the use of WOx/ZrO2 catalysts for the oxidation of dibenzothiophene (DBT) as a more effective material in nanometer scales. The WOx/ZrO2 samples were prepared by solid impregnation of ZrO2-x(OH)2x with ammonium metatungstate solution maintaining the pH at 10. Detailed structural and surface morphological analyses were carried out using Raman spectroscopy and Atomic force microscopy. In order to understand the catalytic activity which is largely influenced by the surface morphology, an interpretation based on the experimental results is given. The results showed an important correlation between the catalytic efficiency with the morphology of the surface which is identified as arrays of planes with steps of around 10 nm with the structures showing faceting with a preferential angle of 90°. It was established that when the number of W atoms in the surface increase the catalytic efficiency also increases. Thus we conclude that the material efficiency as a catalyst is directly related with the surface structure.

  11. Surface and interface electronic structure: Three year activity report

    International Nuclear Information System (INIS)

    Kevan, S.D.

    1992-01-01

    The 3-year activity report covers surface structure and phonon anomalies (surface reconstruction on W(001) and Mo(001), adsorbate lateral ordering, surface Fermi contours and phonon anomalies on Pt(111) and Pd(001)), adsorbate vibrational damping, charge transfer in momentum space: W(011)-K, surface states and resonances (relativistic effects ampersand computations, surface resonances)

  12. Investigation of surface potentials in reduced graphene oxide flake by Kelvin probe force microscopy

    Science.gov (United States)

    Negishi, Ryota; Takashima, Kai; Kobayashi, Yoshihiro

    2018-06-01

    The surface potential (SP) of reduced graphene oxide (rGO) flakes prepared by thermal treatments of GO under several conditions was analyzed by Kelvin probe force microscopy. The low-crystalline rGO flakes in which a significant amount of oxygen functional groups and structural defects remain have a much lower SP than mechanically exfoliated graphene free from oxygen and defects. On the other hand, the highly crystalline rGO flake after a thermal treatment for the efficient removal of oxygen functional groups and healing of structural defects except for domain boundary shows SP equivalent to that of the mechanically exfoliated graphene. These results indicate that the work function of rGO is sensitively modulated by oxygen functional groups and structural defects remaining after the thermal reduction process, but is not affected significantly by the domain boundary remaining after the healing of structural defects through the thermal treatment at high temperature.

  13. Relationship between oxide film structures and corrosion resistance of SUS 304 L stainless steel in high temperature pure water

    International Nuclear Information System (INIS)

    Yamanaka, Kazuo; Matsuda, Yasushi.

    1990-01-01

    The effect of various oxidation conditions on metal release of SUS304L stainless steels in deaerated pure water at 488 K was investigated. The behavior of metal release was also discussed in relation to the surface films which were formed by various oxidation treatments. The results obtained are as follows: (1) The oxidation treatment in high purity argon gas at high temperatures for short time such as 1273 K - 2 min (120S) was effective to decrease the metal dissolution, and the oxide films primarily consisted of spinel type double oxide layer containing high concentration of Mn and Cr. (2) The oxidation treatments in non-deaerated pure water at 561 K for 24∼336 h (86.4∼1209.6 ks) were furthermore effective to decrease the metal dissolution. (3) It may be concluded that the key factors controlling the metal release are thickness, structure and compactness together with compositions of surface oxide films. (author)

  14. Morphology, structural and optical properties of iron oxide thin film photoanodes in photoelectrochemical cell: Effect of electrochemical oxidation

    Science.gov (United States)

    Maabong, Kelebogile; Machatine, Augusto G.; Hu, Yelin; Braun, Artur; Nambala, Fred J.; Diale, Mmantsae

    2016-01-01

    Hematite (α-Fe2O3) is a promising semiconductor as photoanode in solar hydrogen production from photoelectrolysis of water due to its appropriate band gap, low cost and high electrochemical stability in aqueous caustic electrolytes. Operation of such photoanode in a biased photoelectrochemical cell constitutes an anodization with consequent redox reactions at the electrode surface. α-Fe2O3 thin film photoanodes were prepared by simple and inexpensive dip coating method on fluorine doped tin oxide (FTO) glass substrate, annealed in air at 500 °C for 2 h, then electrochemically oxidized (anodized) in 1 M KOH at 500 mV for 1 min in dark and light conditions. Changes in structural properties and morphology of α-Fe2O3 nanoparticles films were investigated by XRD, Raman spectroscopy and a high resolution FE-SEM. The average grain size was observed to increase from 57 nm for pristine samples to 73 and 77 nm for anodized samples in dark and light respectively. Broadening and red shift in Raman spectra in anodized samples may be attributed to lattice expansion upon oxidation. The UV-visible measurements revealed enhanced absorption in the photoanodes after the treatment. The findings suggest that the anodization of the photoelectrode in a biased cell causes not only changes of the molecular structure at the surface, but also changes in the crystallographic structure which can be detected with x-ray diffractometry.

  15. Morphology, structural and optical properties of iron oxide thin film photoanodes in photoelectrochemical cell: Effect of electrochemical oxidation

    International Nuclear Information System (INIS)

    Maabong, Kelebogile; Machatine, Augusto G.; Hu, Yelin; Braun, Artur; Nambala, Fred J.; Diale, Mmantsae

    2016-01-01

    Hematite (α-Fe_2O_3) is a promising semiconductor as photoanode in solar hydrogen production from photoelectrolysis of water due to its appropriate band gap, low cost and high electrochemical stability in aqueous caustic electrolytes. Operation of such photoanode in a biased photoelectrochemical cell constitutes an anodization with consequent redox reactions at the electrode surface. α-Fe_2O_3 thin film photoanodes were prepared by simple and inexpensive dip coating method on fluorine doped tin oxide (FTO) glass substrate, annealed in air at 500 °C for 2 h, then electrochemically oxidized (anodized) in 1 M KOH at 500 mV for 1 min in dark and light conditions. Changes in structural properties and morphology of α-Fe_2O_3 nanoparticles films were investigated by XRD, Raman spectroscopy and a high resolution FE-SEM. The average grain size was observed to increase from ~57 nm for pristine samples to 73 and 77 nm for anodized samples in dark and light respectively. Broadening and red shift in Raman spectra in anodized samples may be attributed to lattice expansion upon oxidation. The UV–visible measurements revealed enhanced absorption in the photoanodes after the treatment. The findings suggest that the anodization of the photoelectrode in a biased cell causes not only changes of the molecular structure at the surface, but also changes in the crystallographic structure which can be detected with x-ray diffractometry.

  16. Morphology, structural and optical properties of iron oxide thin film photoanodes in photoelectrochemical cell: Effect of electrochemical oxidation

    Energy Technology Data Exchange (ETDEWEB)

    Maabong, Kelebogile [Department of Physics, University of Pretoria, Pretoria 0002 (South Africa); Laboratory of High Ceramics, Empa, Swiss Federal Laboratories for Materials Science and Technology, CH-8600 Dübendorf (Switzerland); Department of Physics, University of Botswana, Private Bag 002, Gaborone (Botswana); Machatine, Augusto G. [Department of Physics, University of Pretoria, Pretoria 0002 (South Africa); Hu, Yelin [Laboratory of High Ceramics, Empa, Swiss Federal Laboratories for Materials Science and Technology, CH-8600 Dübendorf (Switzerland); Laboratory for Photonics and Interfaces, EPFL, Ecole Polytechnique Federale de Lausanne, CH-1015 Lausanne (Switzerland); Braun, Artur [Laboratory of High Ceramics, Empa, Swiss Federal Laboratories for Materials Science and Technology, CH-8600 Dübendorf (Switzerland); Nambala, Fred J. [Department of Physics, University of Pretoria, Pretoria 0002 (South Africa); University of Zambia, Box 32379, Great East Road Campus, Lusaka (Zambia); Diale, Mmantsae, E-mail: mmantsae.diale@up.ac.za [Department of Physics, University of Pretoria, Pretoria 0002 (South Africa); Laboratory of High Ceramics, Empa, Swiss Federal Laboratories for Materials Science and Technology, CH-8600 Dübendorf (Switzerland)

    2016-01-01

    Hematite (α-Fe{sub 2}O{sub 3}) is a promising semiconductor as photoanode in solar hydrogen production from photoelectrolysis of water due to its appropriate band gap, low cost and high electrochemical stability in aqueous caustic electrolytes. Operation of such photoanode in a biased photoelectrochemical cell constitutes an anodization with consequent redox reactions at the electrode surface. α-Fe{sub 2}O{sub 3} thin film photoanodes were prepared by simple and inexpensive dip coating method on fluorine doped tin oxide (FTO) glass substrate, annealed in air at 500 °C for 2 h, then electrochemically oxidized (anodized) in 1 M KOH at 500 mV for 1 min in dark and light conditions. Changes in structural properties and morphology of α-Fe{sub 2}O{sub 3} nanoparticles films were investigated by XRD, Raman spectroscopy and a high resolution FE-SEM. The average grain size was observed to increase from ~57 nm for pristine samples to 73 and 77 nm for anodized samples in dark and light respectively. Broadening and red shift in Raman spectra in anodized samples may be attributed to lattice expansion upon oxidation. The UV–visible measurements revealed enhanced absorption in the photoanodes after the treatment. The findings suggest that the anodization of the photoelectrode in a biased cell causes not only changes of the molecular structure at the surface, but also changes in the crystallographic structure which can be detected with x-ray diffractometry.

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

    Science.gov (United States)

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

    2017-02-01

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

  18. Structural basis of protein oxidation resistance: a lysozyme study.

    Directory of Open Access Journals (Sweden)

    Marion Girod

    Full Text Available Accumulation of oxidative damage in proteins correlates with aging since it can cause irreversible and progressive degeneration of almost all cellular functions. Apparently, native protein structures have evolved intrinsic resistance to oxidation since perfectly folded proteins are, by large most robust. Here we explore the structural basis of protein resistance to radiation-induced oxidation using chicken egg white lysozyme in the native and misfolded form. We study the differential resistance to oxidative damage of six different parts of native and misfolded lysozyme by a targeted tandem/mass spectrometry approach of its tryptic fragments. The decay of the amount of each lysozyme fragment with increasing radiation dose is found to be a two steps process, characterized by a double exponential evolution of their amounts: the first one can be largely attributed to oxidation of specific amino acids, while the second one corresponds to further degradation of the protein. By correlating these results to the structural parameters computed from molecular dynamics (MD simulations, we find the protein parts with increased root-mean-square deviation (RMSD to be more susceptible to modifications. In addition, involvement of amino acid side-chains in hydrogen bonds has a protective effect against oxidation Increased exposure to solvent of individual amino acid side chains correlates with high susceptibility to oxidative and other modifications like side chain fragmentation. Generally, while none of the structural parameters alone can account for the fate of peptides during radiation, together they provide an insight into the relationship between protein structure and susceptibility to oxidation.

  19. Significant electrical control of amorphous oxide thin film transistors by an ultrathin Ti surface polarity modifier

    Energy Technology Data Exchange (ETDEWEB)

    Cho, Byungsu [Division of Materials Science and Engineering, Hanyang University, Seoul 133-791 (Korea, Republic of); Samsung Display Co. Ltd., Tangjeong, Chungcheongnam-Do 336-741 (Korea, Republic of); Choi, Yonghyuk; Shin, Seokyoon [Division of Materials Science and Engineering, Hanyang University, Seoul 133-791 (Korea, Republic of); Jeon, Heeyoung [Department of Nano-scale Semiconductor Engineering, Hanyang University, Seoul 133-791 (Korea, Republic of); Seo, Hyungtak, E-mail: hseo@ajou.ac.kr [Department of Materials Science and Engineering and Energy Systems Research, Ajou University, Suwon 443-739 (Korea, Republic of); Jeon, Hyeongtag, E-mail: hjeon@hanyang.ac.kr [Division of Materials Science and Engineering, Hanyang University, Seoul 133-791 (Korea, Republic of); Department of Nano-scale Semiconductor Engineering, Hanyang University, Seoul 133-791 (Korea, Republic of)

    2014-01-27

    We demonstrate an enhanced electrical stability through a Ti oxide (TiO{sub x}) layer on the amorphous InGaZnO (a-IGZO) back-channel; this layer acts as a surface polarity modifier. Ultrathin Ti deposited on the a-IGZO existed as a TiO{sub x} thin film, resulting in oxygen cross-binding with a-IGZO surface. The electrical properties of a-IGZO thin film transistors (TFTs) with TiO{sub x} depend on the surface polarity change and electronic band structure evolution. This result indicates that TiO{sub x} on the back-channel serves as not only a passivation layer protecting the channel from ambient molecules or process variables but also a control layer of TFT device parameters.

  20. 30 CFR 75.1708 - Surface structures, fireproofing.

    Science.gov (United States)

    2010-07-01

    ... 30 Mineral Resources 1 2010-07-01 2010-07-01 false Surface structures, fireproofing. 75.1708... structures, fireproofing. [Statutory Provisions] After March 30, 1970, all structures erected on the surface within 100 feet of any mine opening shall be of fireproof construction. Unless structures existing on or...

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

    International Nuclear Information System (INIS)

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

    2003-01-01

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

  2. Influence of Rare Earth Doping on the Structural and Catalytic Properties of Nanostructured Tin Oxide

    Directory of Open Access Journals (Sweden)

    Maciel Adeilton

    2008-01-01

    Full Text Available AbstractNanoparticles of tin oxide, doped with Ce and Y, were prepared using the polymeric precursor method. The structural variations of the tin oxide nanoparticles were characterized by means of nitrogen physisorption, carbon dioxide chemisorption, X-ray diffraction, and X-ray photoelectron spectroscopy. The synthesized samples, undoped and doped with the rare earths, were used to promote the ethanol steam reforming reaction. The SnO2-based nanoparticles were shown to be active catalysts for the ethanol steam reforming. The surface properties, such as surface area, basicity/base strength distribution, and catalytic activity/selectivity, were influenced by the rare earth doping of SnO2and also by the annealing temperatures. Doping led to chemical and micro-structural variations at the surface of the SnO2particles. Changes in the catalytic properties of the samples, such as selectivity toward ethylene, may be ascribed to different dopings and annealing temperatures.

  3. Demonstration of high-performance p-type tin oxide thin-film transistors using argon-plasma surface treatments

    Science.gov (United States)

    Bae, Sang-Dae; Kwon, Soo-Hun; Jeong, Hwan-Seok; Kwon, Hyuck-In

    2017-07-01

    In this work, we investigated the effects of low-temperature argon (Ar)-plasma surface treatments on the physical and chemical structures of p-type tin oxide thin-films and the electrical performance of p-type tin oxide thin-film transistors (TFTs). From the x-ray photoelectron spectroscopy measurement, we found that SnO was the dominant phase in the deposited tin oxide thin-film, and the Ar-plasma treatment partially transformed the tin oxide phase from SnO to SnO2 by oxidation. The resistivity of the tin oxide thin-film increased with the plasma-treatment time because of the reduced hole concentration. In addition, the root-mean-square roughness of the tin oxide thin-film decreased as the plasma-treatment time increased. The p-type oxide TFT with an Ar-plasma-treated tin oxide thin-film exhibited excellent electrical performance with a high current on-off ratio (5.2 × 106) and a low off-current (1.2 × 10-12 A), which demonstrates that the low-temperature Ar-plasma treatment is a simple and effective method for improving the electrical performance of p-type tin oxide TFTs.

  4. Ni And Co Segregations On Selective Surface Facets And Rational Design Of Layered Lithium Transition-metal Oxide Cathodes

    Energy Technology Data Exchange (ETDEWEB)

    Yan, Pengfei; Zheng, Jianming; Zheng, Jiaxin; Wang, Zhiguo; Teng, Gaofeng; Kuppan, Saravanan; Xiao, Jie; Chen, Guoying; Zhang, Jiguang; Wang, Chong M.; Pan, Feng

    2016-05-05

    The chemical processes occurring on the surface of cathode materials during battery cycling play a crucial role in determining battery’s performance. However, our understanding on such surface chemistry is far from clear due to the complexity of redox chemistry during battery charge/discharge. In this work, through intensive aberration corrected STEM investigation on eight layered oxide cathode materials, we report two important findings on the pristine oxides. First, Ni and Co show strong plane selectivity when building up their respective surface segregation layers (SSL). Specifically, Ni-SSL is exclusively developed on (200)m facet in Li-Mn-rich oxides (monoclinic C2/m symmetry) and (012)h facet in Mn-Ni equally rich oxides (hexagonal R-3m symmetry), while Co-SSL has a strong preference to (20-2)m plane with minimal Co-SSL also developed on some other planes in LMR cathodes. Structurally, Ni-SSLs tend to form spinel-like lattice while Co-SSLs are in a rock-salt-like structure. Secondly, by increasing Ni concentration in these layered oxides, Ni and Co SSLs can be suppressed and even eliminated. Our findings indicate that Ni and Co SSLs are tunable through controlling particle morphology and oxide composition, which opens up a new way for future rational design and synthesis of cathode materials.

  5. New ternary oxides with rhenium(4) of the perovskite structure

    Energy Technology Data Exchange (ETDEWEB)

    Jezowska-Trzebiatowska, B; Nowakowski, T; Mrozinski, J [Wroclaw Univ. (Poland)

    1978-01-01

    A series of ternary oxides described by general formula CaIrsub(x)Resub(1-x)O/sub 3/, where x 0.25; 0.33; 0.66; 0.75, has been obtained. The X-ray investigations have shown, that these compounds have a distorted perovskite structure. The proximal coordination sphere of Re/sup 4 +/ and Ir/sup 4 +/ ions constituted by an octahedron of oxide ions was confirmed by the IR spectra.

  6. Structural and electrical characterization of zinc oxide doped with antimony

    Directory of Open Access Journals (Sweden)

    G. Juárez Díaz

    2014-08-01

    Full Text Available In this work we report the results of structural and electrical characterization realized on zinc oxide single crystal samples with (001 orientation, which were doped with antimony. Doping was carried out by antimony thermal diffusion at 1000 °C for periods of 1 and 2 hours under nitrogen environment from a solid source formed by antimony oxide. Electrical characterization by I-V curves and Hall effect shown an increase in acceptor concentration which demonstrates that doping is effective and create holes in zinc oxide samples.

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

    International Nuclear Information System (INIS)

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

    2009-01-01

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

  8. Electronic and atomic structure at metal-oxide heterointerfaces

    Energy Technology Data Exchange (ETDEWEB)

    Schlueter, Christoph Friedrich

    2013-07-01

    The results of a series of investigations on modern oxide materials using hard X-ray photoelectron spectroscopy (HAXPES) combined with the X-ray standing wave (XSW) method are described in this thesis. The combination of hard X-ray photoelectron spectroscopy and X-ray standing waves enables the electronic structure to be measured with a spatial resolution in the picometer range. Under suitable preparation conditions, a quasi two-dimensional electron gas (2DEG) is formed at the heterointerfaces of strontium titanate (SrTiO{sub 3}) with polar oxides, such as lanthanum aluminate (LaAlO{sub 3}) or lanthanum gallate (LaGaO{sub 3}). Samples were grown at the ESRF and in Naples and surface X-ray diffraction confirmed the excellent epitaxial quality of the films. The XSW-method was used to reconstruct images of the structure of LaAlO{sub 3} layers in real space. These images give evidence of distortions in the LaAlO{sub 3} structure which facilitate the compensation of the potential differences. Furthermore, XSW/HAXPES measurements permit the Ti and Sr,O contributions to the 2DEG close to the Fermi level to be identified unambiguously. The analysis shows that the 3d band crosses the Fermi level and that some density of states is associated with oxygen vacancies. Superlattices of SrTiO{sub 3} with polar calcium cuprate (CaCuO{sub 2}) were investigated by HAXPES. Similar to the case of SrTiO{sub 3}/LaAlO{sub 3}, the polarity of CaCuO{sub 2} should lead to a diverging surface potential. The core level spectra from Ca, Sr, and Ti show that there is a redistribution mechanism for oxygen which compensates the potential differences. When the oxygen concentration is enhanced these superstructures become superconducting (T{sub C} = 40 K). The increased oxidation of the superconducting material is revealed by the additional components in the core level spectra of the metal atoms and in the appearance of a new screening channel in Cu 2p core level spectra, which signals the hole

  9. Electronic and atomic structure at metal-oxide heterointerfaces

    International Nuclear Information System (INIS)

    Schlueter, Christoph Friedrich

    2013-01-01

    The results of a series of investigations on modern oxide materials using hard X-ray photoelectron spectroscopy (HAXPES) combined with the X-ray standing wave (XSW) method are described in this thesis. The combination of hard X-ray photoelectron spectroscopy and X-ray standing waves enables the electronic structure to be measured with a spatial resolution in the picometer range. Under suitable preparation conditions, a quasi two-dimensional electron gas (2DEG) is formed at the heterointerfaces of strontium titanate (SrTiO 3 ) with polar oxides, such as lanthanum aluminate (LaAlO 3 ) or lanthanum gallate (LaGaO 3 ). Samples were grown at the ESRF and in Naples and surface X-ray diffraction confirmed the excellent epitaxial quality of the films. The XSW-method was used to reconstruct images of the structure of LaAlO 3 layers in real space. These images give evidence of distortions in the LaAlO 3 structure which facilitate the compensation of the potential differences. Furthermore, XSW/HAXPES measurements permit the Ti and Sr,O contributions to the 2DEG close to the Fermi level to be identified unambiguously. The analysis shows that the 3d band crosses the Fermi level and that some density of states is associated with oxygen vacancies. Superlattices of SrTiO 3 with polar calcium cuprate (CaCuO 2 ) were investigated by HAXPES. Similar to the case of SrTiO 3 /LaAlO 3 , the polarity of CaCuO 2 should lead to a diverging surface potential. The core level spectra from Ca, Sr, and Ti show that there is a redistribution mechanism for oxygen which compensates the potential differences. When the oxygen concentration is enhanced these superstructures become superconducting (T C = 40 K). The increased oxidation of the superconducting material is revealed by the additional components in the core level spectra of the metal atoms and in the appearance of a new screening channel in Cu 2p core level spectra, which signals the hole doping of the CaCuO 2 blocks. Magnetoresistive

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

    NARCIS (Netherlands)

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

    2016-01-01

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

  11. Graphite surface topography induced by Ta cluster impact and oxidative etching

    International Nuclear Information System (INIS)

    Reimann, C.T.; Olsson, L.; Erlandsson, R.; Henkel, M.; Urbassek, H.M.

    1998-01-01

    Freshly cleaved highly oriented pyrolytic graphite (HOPG), when baked in air at ∝630 C, forms one-monolayer(ML)-deep circular pits due to oxidation initiated at surface defect sites. We found that the areal density and depths of these pits could be modulated by deliberately introducing surface and sub-surface defects by energetic ion bombardment prior to baking. Bombardment by 555-eV/atom Ta 1 + , Ta 2 + , Ta 4 + , or Ta 9 + , always enhanced the areal density of etch pits, but only bombardment by Ta 4 + , or Ta 9 + significantly enhanced the depths of the pits. We performed molecular dynamics simulations of Ta n cluster bombardment of HOPG (n = 1, 2, 4, and 9) with the aim of characterizing the damage structures induced by the bombardment and correlating them with the experimental data. For Ta 9 + , the simulations showed a high level of damage extending from the surface down to nine MLs, in agreement with the most probable etch pit depth observed. For other cluster species, predicted etch pit depths were deeper than the observed ones. Annealing or steric requirements for initiating oxidation may account for some of the differences between simulations and experimental results. (orig.)

  12. Elementary structural building blocks encountered in silicon surface reconstructions

    International Nuclear Information System (INIS)

    Battaglia, Corsin; Monney, Claude; Didiot, Clement; Schwier, Eike Fabian; Garnier, Michael Gunnar; Aebi, Philipp; Gaal-Nagy, Katalin; Onida, Giovanni

    2009-01-01

    Driven by the reduction of dangling bonds and the minimization of surface stress, reconstruction of silicon surfaces leads to a striking diversity of outcomes. Despite this variety even very elaborate structures are generally comprised of a small number of structural building blocks. We here identify important elementary building blocks and discuss their integration into the structural models as well as their impact on the electronic structure of the surface. (topical review)

  13. Atomic probes of surface structure and dynamics

    International Nuclear Information System (INIS)

    Heller, E.J.; Jonsson, H.

    1992-01-01

    The following were studied: New semiclassical method for scattering calculations, He atom scattering from defective Pt surfaces, He atom scattering from Xe overlayers, thermal dissociation of H 2 on Cu(110), spin flip scattering of atoms from surfaces, and Car-Parrinello simulations of surface processes

  14. Effects of rare earth oxide additive on surface and tribological properties of polyimide composites

    Science.gov (United States)

    Pan, Zihe; Wang, Tianchang; Chen, Li; Idziak, Stefan; Huang, Zhaohui; Zhao, Boxin

    2017-09-01

    Rare earth oxide La2O3 microparticles-reinforced polyimide (PI) composites (La-PI-Cs) were fabricated, aiming to improve the tribological property of PI. Surface roughness, surface composition, bulk structure, friction force (Ff) and coefficient of friction (COF) at macro/micro preload, and anti-wear performances of La-PI-Cs were studied and compared with neat PI. With La2O3 microparticles, La-PI-Cs showed larger surface roughness, lower surface energy, and higher hydrophobicity than neat PI, and displayed beneficial layered structure different from the compact structure of PI. Owing to these advantages, La-PI-Cs were found to show a 70% reduction in Ff and COF, and a 30% reduction in wear rate, indicating significantly lowered friction and enhanced anti-wear properties after adding La2O3 microparticles. Our research findings demonstrated an easy and low cost method to fabricate polymer composites with low friction and high wear resistance, and help meet the demanding of polymer composites with high tribological performances in broaden applications.

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

    International Nuclear Information System (INIS)

    Wang Xiaolin; Fu Yibei; Xie Renshou

    1999-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2011-02-01

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

  17. Structural analysis of nickel doped cerium oxide catalysts for fuel reforming in solid oxide fuel cells

    Science.gov (United States)

    Cavendish, Rio

    As world energy demands increase, research into more efficient energy production methods has become imperative. Heterogeneous catalysis and nanoscience are used to promote chemical transformations important for energy production. These concepts are important in solid oxide fuel cells (SOFCs) which have attracted attention because of their potential to provide an efficient and environmentally favorable power generation system. The SOFC is also fuel-flexible with the ability to run directly on many fuels other than hydrogen. Internal fuel reforming directly in the anode of the SOFC would greatly reduce the cost and complexity of the device. Methane is the simplest hydrocarbon and a main component in natural gas, making it useful when testing catalysts on the laboratory scale. Nickel (Ni) and gadolinium (Gd) doped ceria (CeO 2) catalysts for potential use in the SOFC anode were synthesized with a spray drying method and tested for catalytic performance using partial oxidation of methane and steam reforming. The relationships between catalytic performance and structure were then investigated using X-ray diffraction, transmission electron microscopy, and environmental transmission electron microscopy. The possibility of solid solutions, segregated phases, and surface layers of Ni were explored. Results for a 10 at.% Ni in CeO2 catalyst reveal a poor catalytic behavior while a 20 at.% Ni in CeO2 catalyst is shown to have superior activity. The inclusion of both 10 at.% Gd and 10 at.% Ni in CeO2 enhances the catalytic performance. Analysis of the presence of Ni in all 3 samples reveals Ni heterogeneity and little evidence for extensive solid solution doping. Ni is found in small domains throughout CeO2 particles. In the 20 at.% Ni sample a segregated, catalytically active NiO phase is observed. Overall, it is found that significant interaction between Ni and CeO2 occurs that could affect the synthesis and functionality of the SOFC anode.

  18. Factors controlling the oxide ion conductivity of fluorite and perovskite structured oxides

    DEFF Research Database (Denmark)

    Mogensen, Mogens Bjerg; Lybye, D.; Bonanos, N.

    2004-01-01

    Many metal oxides of fluorite and perovskite related structures are oxide ion conductors, which have practical applications in devices such as oxygen sensors, solid oxide fuel cells (SOFC) and electrolysers. Several structural and thermodynamic parameters such as (1) critical radius of the pathway...... such parameters for fluorite and perovskite oxides by considering their sensitivities to the individual ionic radii. Based on experimental data available in the literature, it is argued that lattice distortion (lattice stress and deviation from cubic symmetry) due to ion radii mismatch determines the ionic...... conductivity to a very large extent, and that lattice distortion is of much greater importance than many other proposed parameters. In case of the perovskites, the charge of the B-site ion is also of major importance. (C) 2004 Published by Elsevier B.V....

  19. Structural Investigations of Complex Oxides using Synchrotron Radiation

    International Nuclear Information System (INIS)

    Hans-Conrad zur Loye

    2007-01-01

    The work is a collaborative effort between Prof. Hanno zur Loye at the University of South Carolina and Dr. Tom Vogt at Brookhaven National Laboratory. The collaborative research focuses on the synthesis and the structural characterization of perovskites and perovskite related oxides and will target new oxide systems where we have demonstrated expertise in synthesis, yet lack the experimental capabilities to answer important structural issues. Synthetically, we will focus on two subgroups of perovskite structures, the double and triple perovskites, and the 2H-perovskite related oxides belonging to the A 3n+3m A(prime) 3M+n B 3m+n O 9m+6n family. In the first part of the proposal, our goal of synthesizing and structurally characterizing new ruthenium, iridium, rhodium and ruthenium containing double and triple perovskites, with the emphasis on exercising control over the oxidation state(s) of the metals, is described. These oxides will be of interest for their electronic and magnetic properties that will be investigated as well

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

    Czech Academy of Sciences Publication Activity Database

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

    2006-01-01

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

  1. Micromorphology and structure of vanadium oxide nanotubes

    International Nuclear Information System (INIS)

    Grigor'eva, A.V.; Anikina, A.V.; Tarasov, A.B.; Gudilin, E.A.; Knot'ko, A.V.; Volkov, V.V.; Dembo, K.A.; Tret'yakov, Yu.D.

    2006-01-01

    Complex analysis of structural features of V 2 O 5 nanotubes prepared using molecular template, i.e. hexadecyl amine-1 (HDA), was made using the methods of X-ray diffraction, electron microscopy and IR spectroscopy. It has been ascertained that the nanotubes studied are hybrid inorganic-organic material composed of periodically arranged ordered layers of V-O, forming multilayer walls and HDA molecules between them [ru

  2. Structural transformations of heat-treated bacterial iron oxide

    Energy Technology Data Exchange (ETDEWEB)

    Hashimoto, Hideki, E-mail: hideki-h@cc.okayama-u.ac.jp [Graduate School of Natural Science and Technology, Okayama University, Okayama 700-8530 (Japan); JST, CREST, Okayama 700-8530 (Japan); Fujii, Tatsuo [Graduate School of Natural Science and Technology, Okayama University, Okayama 700-8530 (Japan); Kohara, Shinji [Japan Synchrotron Radiation Research Institute, Sayo, Hyogo 679-5198 (Japan); Nakanishi, Koji [Office of Society-Academia Collaboration for Innovation, Kyoto University, Uji 611-0011 (Japan); Yogi, Chihiro [SR Center, Ritsumeikan University, Kusatsu, Shiga 525-8577 (Japan); Peterlik, Herwig [Faculty of Physics, University of Vienna, A-1090 Vienna (Austria); Nakanishi, Makoto [Graduate School of Natural Science and Technology, Okayama University, Okayama 700-8530 (Japan); Takada, Jun [Graduate School of Natural Science and Technology, Okayama University, Okayama 700-8530 (Japan); JST, CREST, Okayama 700-8530 (Japan)

    2015-04-01

    A bacterial siliceous iron oxide microtubule (diameter: ca. 1 μm, 15Fe{sub 2}O{sub 3}·8SiO{sub 2}·P{sub 2}O{sub 5}·30H{sub 2}O) produced by Leptothrix ochracea was heat treated in air and its structural transformation was investigated in detail by microscopy, diffractometry, and spectroscopy. Although the heat-treated bacterial iron oxide retained its original microtubular structure, its nanoscopic, middle-range, and local structures changed drastically. Upon heat treatment, nanosized pores were formed and their size changed depending on temperature. The Fe–O–Si linkages were gradually cleaved with increasing temperature, causing the progressive separation of Fe and Si ions into iron oxide and amorphous silicate phases, respectively. Concomitantly, global connectivity and local structure of FeO{sub 6} octahedra in the iron oxide nanoparticles systematically changed depending on temperature. These comprehensive investigations clearly revealed various structural changes of the bacterial iron oxide which is an important guideline for the future exploration of novel bio-inspired materials. - Highlights: • Structural transformation of a bacterial iron oxide microtubule was investigated. • Si–O–Fe was cleaved with increasing temperature to form α-Fe{sub 2}O{sub 3}/silicate composite. • Crystallization to 2Fh started at 500 °C to give α-Fe{sub 2}O{sub 3} >700 °C. • FeO{sub 6} octahedra were highly distorted <500 °C. • Formation of face-sharing FeO{sub 6} was promoted >500 °C, releasing the local strain of FeO{sub 6}.

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

    International Nuclear Information System (INIS)

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

    2002-01-01

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

  4. Metal Oxide Nano structures: Synthesis, Properties, and Applications

    International Nuclear Information System (INIS)

    Xu, L. H.; Patil, D. S.; Yang, J.; Xiao, J.

    2015-01-01

    In recent years, nano structured materials have attracted wide attention due to their fascinating optical and electrical properties, which make these materials potentially suitable for applications in electronics, optics, photonics, and sensors. Some metal oxides show a wide variety of morphologies such as nano wires, nano rods, nano tubes, nano rings, and nano belts. Synthesis and investigation of these metal-oxide nano structures are beneficial not only for understanding the fundamental phenomena in low dimensional systems, but also for developing new-generation nano devices with high performance.

  5. High pressure structural studies on nanophase praseodymium oxide

    International Nuclear Information System (INIS)

    Saranya, L.; Chandra Shekar, N.V.; Amirthapandian, S.; Hussain, Shamima; Arulraj, A.; Sahu, P. Ch.

    2014-01-01

    The phase stability of nanocrystalline Pr 2 O 3 has been investigated under pressure by in-situ high pressure X-ray diffraction using Mao-Bell type diamond anvil cell. The ambient structure and phase of the praseodymium oxide have been resolved unambiguously using x-ray diffraction, SEM and TEM techniques. Under the action of pressure the cubic phase of the system is retained up to 15 GPa. This is unusual as other isostructural rare earth oxides show structural transformations even at lower pressures. From the best fit to the P–V data with the Murnaghan equation of state yields a bulk modulus of 171 GPa

  6. Negative Refraction Using Frequency-Tuned Oxide Multilayer Structure

    Directory of Open Access Journals (Sweden)

    Yalin Lu

    2008-01-01

    Full Text Available An oxide-based multilayer structure was proposed to realize negative refraction. The multilayer composes of alternative layers having negative permittivity and negative permeability, respectively. In order to realize negative refraction, their dielectric and magnetic resonances of layers will be tuned to the frequency as close as possibly via changing their temperature, composition, structure, and so forth. Such oxide-based NIMs are attractive for their potential applications as optical super lenses, imagers, optical cloaking, sensors, and so forth, those are required with low-loss, low-cost, and good fabrication flexibility.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2001-07-01

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

  8. Femtosecond laser surface structuring of molybdenum thin films

    Energy Technology Data Exchange (ETDEWEB)

    Kotsedi, L., E-mail: Kotsedi@tlabs.ac.za [UNESCO-UNISA Africa Chair in Nanosciences-Nanotechnology, College of Graduate Studies, University of South Africa, Muckleneuk ridge, PO Box 392, Pretoria (South Africa); Nanosciences African Network (NANOAFNET), iThemba LABS-National Research Foundation, 1 Old Faure Road, Somerset West 7129, PO Box 722, Somerset West, Western Cape Province (South Africa); Mthunzi, P. [Council for Scientific and Industrial Research (CSIR), Biophotonics Lab: National Laser Centre Pretoria, 0001 (South Africa); Nuru, Z.Y. [UNESCO-UNISA Africa Chair in Nanosciences-Nanotechnology, College of Graduate Studies, University of South Africa, Muckleneuk ridge, PO Box 392, Pretoria (South Africa); Nanosciences African Network (NANOAFNET), iThemba LABS-National Research Foundation, 1 Old Faure Road, Somerset West 7129, PO Box 722, Somerset West, Western Cape Province (South Africa); Eaton, S.M. [Physics Department, Politecnico di Milano, Piazza Leonardo Da Vinci, 32, 20133 Milano (Italy); Center for Nano Science and Technology, Istituto Italiano di Tecnologia, Via Pascoli 70/3, 20133 Milano, Itala (Italy); Sechoghela, P.; Mongwaketsi, N. [UNESCO-UNISA Africa Chair in Nanosciences-Nanotechnology, College of Graduate Studies, University of South Africa, Muckleneuk ridge, PO Box 392, Pretoria (South Africa); Nanosciences African Network (NANOAFNET), iThemba LABS-National Research Foundation, 1 Old Faure Road, Somerset West 7129, PO Box 722, Somerset West, Western Cape Province (South Africa); Ramponi, R. [Institute for Photonics and Nanotechnologies (IFN)–CNR, Piazza Leanardo Da Vinci, 32, 20133 Milano (Italy); Maaza, M. [UNESCO-UNISA Africa Chair in Nanosciences-Nanotechnology, College of Graduate Studies, University of South Africa, Muckleneuk ridge, PO Box 392, Pretoria (South Africa); Nanosciences African Network (NANOAFNET), iThemba LABS-National Research Foundation, 1 Old Faure Road, Somerset West 7129, PO Box 722, Somerset West, Western Cape Province (South Africa)

    2015-10-30

    Highlights: • Color change of the molybdenum thin film from shinny to violet–yellowish color after laser irradiation at various laser powers. • Formation of the molybdenum dioxide coating after laser exposure, as confirmed by the X-ray diffraction spectrometry. • Selective solar absorbing nature of the laser exposed films. • Study of the binding energies is presented in this contribution using the XPS spectrometry. - Abstract: This contribution reports on the femtosecond surface structuring of molybdenum thin coatings deposited by electron beam evaporation onto Corning glass substrates. The 1-D type periodic grating lines created by such an ablation showed that the widths of the shallow grooves followed a logarithmic dependence with the laser energy incident on the molybdenum film. The electronic valence “x” of the created oxide surface layer MoO{sub x} was found to be incident laser power dependent via Rutherford backscattering spectrometry, X-ray photoelectron spectroscopy and X-ray diffraction investigations. Such a photo-induced MoO{sub x}–Mo nanocomposite exhibited effective selective solar absorption in the UV–vis–IR spectral range.

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

    International Nuclear Information System (INIS)

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

    1997-01-01

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

  10. Atomic probes of surface structure and dynamics

    International Nuclear Information System (INIS)

    Heller, E.J.; Jonsson, H.

    1992-01-01

    Progress for the period Sept. 15, 1992 to Sept. 14, 1993 is discussed. Semiclassical methods that will allow much faster and more accurate three-dimensional atom--surface scattering calculations, both elastic and inelastic, are being developed. The scattering of He atoms from buckyballs is being investigated as a test problem. Somewhat more detail is given on studies of He atom scattering from defective Pt surfaces. Molecular dynamics simulations of He + and Ar + ion sputtering of Pt surfaces are also being done. He atom scattering from Xe overlayers on metal surfaces and the thermalized dissociation of H 2 on Cu(110) are being studied. (R.W.R.) 64 refs

  11. Investigations of the electronic, magnetic and crystalline structure of perovskite oxides and an oxide-oxide interface

    International Nuclear Information System (INIS)

    Raisch, Christoph Werner

    2013-01-01

    The mineral perovskite CaTiO 3 lends its name to the class of compounds with composition ABX 3 , which have the same type of crystal structure known as the perovskite structure. Here, A and B are cations while X is typically a halogen or oxygen anion. The bigger cation A and the X anions form a cubic close packing AX 3 with the smaller B cation occupying one quarter of the octahedral sites. The underlying work deals with three classes of perovskite oxides, the ''titanates'', the ''cuprates'' and the ''manganites'', where the central B cations are Ti, Cu and Mn respectively, each class with very characteristic properties. Strontium titanate, STO, like so many oxides is an insulator, yet paraelectric and diamagnetic. It gained special interest as a commercially available, high quality substrate for the growth of hightemperature superconductors and other oxide thin films. The huge class of perovskite cuprates is most famous for members like YBCO, the well-known high-temperature superconductor. Finally, the doped, mixed-valent perovskite manganites LXMO (here X = Sr, Ca, Ce) have to be mentioned. They appeared on the screen of experimental and theoretical physicists in the 1950s when ferromagnetism and magnetoresistance were discovered in these compounds, leading to the theory of double exchange. In the mid-1990s they further increased their importance, following the description of the Jahn-Teller polaron and the discovery of the colossal magnetoresistance phenomenom. They may be derived from an insulator, LaMnO 3 , but the doping allows the control of electric and magnetic properties over a wide range, i.e. from insulating behavior to metallic conductivity or from diamagnet to ferromagnet. Further notable effects are found when electric or magnetic fields are applied, including spin polarization and the related effect of colossal magnetoresistance. These substances may be approximated as consisting of

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-07-01

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

  13. Application of the particle backscattering methods for the study of new oxide protective coatings at the surface of Al and Mg alloys

    International Nuclear Information System (INIS)

    Apelfeld, A.V.; Bespalova, O.V.; Borisov, A.M.; Dunkin, O.N.; Goryaga, N.G.; Kulikauskas, V.S.; Romanovsky, E.A.; Semenov, S.V.; Souminov, I.V.

    2000-01-01

    Rutherford (1.5 MeV 4 He + ) and Nuclear (7.7 MeV H + ) Backscattering Spectrometry were used for investigation of oxide protective coatings on the surface of Al and Mg alloys obtained by microarc oxidation (MAO). A model of microarc coating formation is proposed. For Mg alloy, the structure of MAO coating with very high corrosion resistance was determined

  14. Magnetite Fe3O4 (111) Surfaces: Impact of Defects on Structure, Stability, and Electronic Properties

    KAUST Repository

    Noh, Jung Hyun

    2015-08-04

    We present a comprehensive investigation, via first-principles density functional theory (DFT) calculations, of various surface terminations of magnetite, Fe3O4 (111), a major iron oxide which has also a number of applications in electronics and spintronics. We compare the thermodynamic stability and electronic structure among the different surfaces terminations. Interestingly, we find that surfaces modified with point defects and adatoms can be more stable than bulk-like terminations. These surfaces show different surface chemistry, electronic structures and distinctive spin polarization features near the Fermi level from those previously considered in the literature. Our studies provide an atomic level insight for magnetite surfaces, which is a necessary step to understanding their interfaces with organic layers in OLED and spintronic devices.

  15. Magnetite Fe3O4 (111) Surfaces: Impact of Defects on Structure, Stability, and Electronic Properties

    KAUST Repository

    Noh, Jung Hyun; Osman, Osman I; Aziz, Saadullah G.; Winget, Paul; Bredas, Jean-Luc

    2015-01-01

    We present a comprehensive investigation, via first-principles density functional theory (DFT) calculations, of various surface terminations of magnetite, Fe3O4 (111), a major iron oxide which has also a number of applications in electronics and spintronics. We compare the thermodynamic stability and electronic structure among the different surfaces terminations. Interestingly, we find that surfaces modified with point defects and adatoms can be more stable than bulk-like terminations. These surfaces show different surface chemistry, electronic structures and distinctive spin polarization features near the Fermi level from those previously considered in the literature. Our studies provide an atomic level insight for magnetite surfaces, which is a necessary step to understanding their interfaces with organic layers in OLED and spintronic devices.

  16. Lattice shear distortions in fluorite structure oxides

    International Nuclear Information System (INIS)

    Faber, J. Jr.; Mueller, M.H.; Hitterman, R.L.

    1979-01-01

    Crystallographic shear distortions have been observed in fluorite structure, single crystals of UO 2 and Zr(Ca)O 2 /sub-x/ by neutron-diffraction techniques. These distortions localize on the oxygen sublattice and do not require the presence of an external strain. The internal rearrangement mode in UO 2 is a transverse, zone boundary q vector = 2π/a (0.5, 0.0) deformation with amplitude 0.014 A. In Zr(Ca)O/sub 2-x/, the mode is a longitudinal, q vector = 2-/a (0,0,0.5) deformation with amplitude 0.23 A. Cation-anion elastic interactions dominate in selecting the nature of the internal distortion

  17. Experimental study of the oxide film structural phase state in the E635 and E110 alloys

    International Nuclear Information System (INIS)

    Shevyakov, A. Yu.; Shishov, V. N.; Novikov, V. V.

    2013-01-01

    The microstructure, phase and element compositions of oxide films of E110 (Zr-1%Nb) and E635 (Zr-1%Nb-0,35%Fe-1,2%Sn) alloys after autoclave tests in pure water had been studied by the method of transmission electron microscopy (TEM) with energy dispersive X-ray spectroscopy (EDS). TEM investigations of oxide film structure were carried on different oxide layers according to their thickness (near interface of “metal-oxide”, in central part of the oxide film and near outer surface) and in cross-section. The results of the tests show that oxide films of the alloys have different microstructure (grain size, fraction of tetragonal phase, content of defects, etc) and the phase compositions. The crystal structure of oxide films is mainly monoclinic, however, at the “metal-oxide” interface there are a significant fraction of the tetragonal phase. Researching of oxides on different stages of oxidation allow us to determine the kinetics of the second phase precipitate structure change: a) in E635 alloy at early oxidation stages of the amorphization process of the Laves phase precipitates begins with decreasing the content of iron and niobium; b) in E110 alloy the amorphization process of β-Nb precipitates begins at a later stage of oxidation. The influence of changes of the crystal structure and the chemical composition of the second phase precipitates on protective properties of the oxides had been determined. Researching of alloying element redistribution in E635 alloy oxide film shows that iron and niobium are concentrated in pores. Increased porosity of the E635 alloy oxide films at a later oxidation stage, in comparison with the E110 alloy, shows the influence of change composition and subsequent dissolution of the Laves phase particles on the pore formation in the oxide. (authors)

  18. Surface Properties of Titanium dioxide and its Structural Modifications by Reactions with Transition Metals

    Science.gov (United States)

    Halpegamage, Sandamali

    polymorph. So far, a reasonable explanation as to why these differences exist was not reported. In our studies, we used high quality epitaxial rutile and anatase thin films which enabled isolating the surface effects from the bulk effects and show that it is the difference between the charge carrier diffusion lengths that causes this difference in activities. In addition to that, using different surface orientations of rutile-TiO 2, we show that the anisotropic bulk charge carrier mobility may contribute to the orientation dependent photoactivity. Moreover, we show that different surface preparation methods also affect the activity of the sample and vacuum reduction results in an enhanced activity. In an effort to modify the TiO2 surfaces with monolayer/mixed monolayer oxides, we carried out experiments on (011) orientation of single crystal rutile TiO2 with few of the selected transition metal oxides namely Fe, V, Cr and Ni. We found that for specific oxidation conditions a monolayer mixed oxide is formed for all M (M= Fe, V, Cr, Ni), with one common structure with the composition MTi2O5. For small amounts of M the surface segregates into pure TiO2(011)-2x1 and into domains of MTi2O5 indicating that this mixed monolayer oxide is a low energy line phase in a compositional surface phase diagram. The oxygen pressure required for the formation of this unique monolayer structure increases in the order of Venthalpy of formation of oxide for these transition metals. The structure proposed for the stable MTi2O5 mixed monolayer oxide by DFT-based simulations was verified by X-ray photoemission diffraction measurements performed at a synchrotron facility.

  19. Micro-arc oxidation as a tool to develop multifunctional calcium-rich surfaces for dental implant applications.

    Science.gov (United States)

    Ribeiro, A R; Oliveira, F; Boldrini, L C; Leite, P E; Falagan-Lotsch, P; Linhares, A B R; Zambuzzi, W F; Fragneaud, B; Campos, A P C; Gouvêa, C P; Archanjo, B S; Achete, C A; Marcantonio, E; Rocha, L A; Granjeiro, J M

    2015-09-01

    Titanium (Ti) is commonly used in dental implant applications. Surface modification strategies are being followed in last years in order to build Ti oxide-based surfaces that can fulfill, simultaneously, the following requirements: induced cell attachment and adhesion, while providing a superior corrosion and tribocorrosion performance. In this work micro-arc oxidation (MAO) was used as a tool for the growth of a nanostructured bioactive titanium oxide layer aimed to enhance cell attachment and adhesion for dental implant applications. Characterization of the surfaces was performed, in terms of morphology, topography, chemical composition and crystalline structure. Primary human osteoblast adhesion on the developed surfaces was investigated in detail by electronic and atomic force microscopy as well as immunocytochemistry. Also an investigation on the early cytokine production was performed. Results show that a relatively thick hybrid and graded oxide layer was produced on the Ti surface, being constituted by a mixture of anatase, rutile and amorphous phases where calcium (Ca) and phosphorous (P) were incorporated. An outermost nanometric-thick amorphous oxide layer rich in Ca was present in the film. This amorphous layer, rich in Ca, improved fibroblast viability and metabolic activity as well as osteoblast adhesion. High-resolution techniques allowed to understand that osteoblasts adhered less in the crystalline-rich regions while they preferentially adhere and spread over in the Ca-rich amorphous oxide layer. Also, these surfaces induce higher amounts of IFN-γ cytokine secretion, which is known to regulate inflammatory responses, bone microarchitecture as well as cytoskeleton reorganization and cellular spreading. These surfaces are promising in the context of dental implants, since they might lead to faster osseointegration. Copyright © 2015 Elsevier B.V. All rights reserved.

  20. Sputtered indium-tin oxide/cadmium telluride junctions and cadmium telluride surfaces

    International Nuclear Information System (INIS)

    Courreges, F.G.; Fahrenbruch, A.L.; Bube, R.H.

    1980-01-01

    The properties of indium-tin oxide (ITO)/CdTe junction solar cells prepared by rf sputtering of ITO on P-doped CdTe single-crystal substrates have been investigated through measurements of the electrical and photovoltaic properties of ITO/CdTe and In/CdTe junctions, and of electron beam induced currents (EBIC) in ITO/CdTe junctions. In addition, surface properties of CdTe related to the sputtering process were investigated as a function of sputter etching and thermal oxidation using the techniques of surface photovoltage and photoluminescence. ITO/CdTe cells prepared by this sputtering method consist of an n + -ITO/n-CdTe/p-CdTe buried homojunction with about a 1-μm-thick n-type CdTe layer formed by heating of the surface of the CdTe during sputtering. Solar efficiencies up to 8% have been observed with V/sub 0c/=0.82 V and J/sub s/c=14.5 mA/cm 2 . The chief degradation mechanism involves a decrease in V/sub 0c/ with a transformation of the buried homojunction structure to an actual ITO/CdTe heterojunction

  1. SUS 321 HTB boiler tubing with fire grained internal surface resistant to steam-induced oxidation

    International Nuclear Information System (INIS)

    Kanero, Takahiro; Minami, Yuusuke; Kodera, Toshihide

    1981-01-01

    Considerable amount of scale is produced by high temperature steam on the austenitic stainless steel tubes used for the superheaters and reheaters of large boilers for power generation. The scale of outer layer separates off due to the thermal stress at the time of starting-up and stopping, and causes the blocking of pipes and the erosion of turbine blades. Following the increase of nuclear power generation, large boilers are used for medium load, accordingly it is expected that the troubles like these increase. In this paper, the manufacturing method and the properties of SUS 321 HTB with fine grain internal surface are reported, which was developed to reduce the rate of growth of scale and to prevent the separation of scale. In order to prevent the separation of scale from austenitic stainless steel tubes, the reduction of scale thickness, surface treatment such as chrome plating, the use of alloys with excellent oxidation resistance, the formation of chrome-rich film rapidly, the heat treatment of cold-worked tubes and so on were carried out. The nitrification of SUS 321 H steel brought about two-phase structure of the fine grain internal surface with excellent oxidation resistance and the rest of coarse grains with high creep strength. (Kako, I.)

  2. Oxidation resistance coating for niobium base structural composites

    International Nuclear Information System (INIS)

    Tabaru, T.; Shobu, K.; Kim, J.H.; Hirai, H.; Hanada, S.

    2003-01-01

    Oxidation behavior of Al-rich Mo(Si,Al) 2 base alloys, which is a candidate material for the oxidation resistance coating on Nb base structural composites, were investigated by thermogravimetry. The Mo(Si,Al) 2 base alloys containing Mo 5 (Si,Al) 3 up to about 10 vol% exhibits excellent oxidation resistance at temperatures ranging from 780 to 1580 K, particularly at 1580 K due to continuous Al 2 O 3 layer development. To evaluate the applicability of the Mo(Si,Al) 2 base coating, plasma spraying on Nb base composites were undertaken. However, interface reaction layer was found to form during the following heat treatment. Preparation of Mo(Si,Al) 2 /Al 2 O 3 /Nb layered structures via powder metallurgical process was attempted to preclude diffusion reaction between coating and substrate. (orig.)

  3. In-situ observation of oxidation of Ti(0001) surface by real-time photoelectron spectroscopy using synchrotron radiation

    CERN Document Server

    Takakuwa, Y; Yoshigoe, A; Teraoka, Y; Mizuno, Y; Tonda, H; Homma, T

    2003-01-01

    Temperature dependence of the initial oxidation kinetics of Ti(0001) surface was investigated by low energy electron diffraction (LEED) and real-time photoelectron spectroscopy using synchrotron radiation of surface- and bulk-sensitive photon energies. LEED observation revealed that oxide layers grow epitaxially with different surface structures depending on temperature: 1x1 at 200degC and sq root 3 x sq root 3 at 400degC. From the oxygen uptake curve measured by O 1s photo-electron intensity, it was clarified that oxygen diffusion through the epitaxially grown oxide layer is significantly enhanced with raising temperature, making the oxide layer thicker than 70A at 400degC. The chemical shift components observed for Ti 2p showed that TiO sub 2 becomes predominant at the subsurface with O sub 2 dose, while the stoichiometry of oxide near the interface is maintained as TiO and Ti sub 2 O sub 3 , for both cases at 200degC and 400degC. Thus it is concluded that the epitaxial growth of a very thin oxide on the Ti...

  4. Surface and bulk modified high capacity layered oxide cathodes with low irreversible capacity loss

    Science.gov (United States)

    Manthiram, Arumugam (Inventor); Wu, Yan (Inventor)

    2010-01-01

    The present invention includes compositions, surface and bulk modifications, and methods of making of (1-x)Li[Li.sub.1/3Mn.sub.2/3]O.sub.2.xLi[Mn.sub.0.5-yNi.sub.0.5-yCo.sub.2- y]O.sub.2 cathode materials having an O3 crystal structure with a x value between 0 and 1 and y value between 0 and 0.5, reducing the irreversible capacity loss in the first cycle by surface modification with oxides and bulk modification with cationic and anionic substitutions, and increasing the reversible capacity to close to the theoretical value of insertion/extraction of one lithium per transition metal ion (250-300 mAh/g).

  5. Optical and structural properties of porous zinc oxide fabricated via electrochemical etching method

    International Nuclear Information System (INIS)

    Ching, C.G.; Lee, S.C.; Ooi, P.K.; Ng, S.S.; Hassan, Z.; Hassan, H. Abu; Abdullah, M.J.

    2013-01-01

    Highlights: • Hillock like porous structure zinc oxide was obtained via electrochemical etching. • Anisotropic dominance etching process by KOH etchant. • Reststrahlen features are sensitive to multilayer porous structure. • Determination of porosity from IR reflectance spectrum. -- Abstract: We investigated the optical and structural properties of porous zinc oxide (ZnO) thin film fabricated by ultraviolet light-assisted electrochemical etching. This fabrication process used 10 wt% potassium hydroxide solution as an electrolyte. Hillock-like porous ZnO films were successfully fabricated according to the field emission scanning electron microscopy results. The cross-sectional study of the sample indicated that anisotropic-dominated etching process occurred. However, the atomic force microscopic results showed an increase in surface roughness of the sample after electrochemical etching. A resonance hump induced by the porous structure was observed in the infrared reflectance spectrum. Using theoretical modeling technique, ZnO porosification was verified, and the porosity of the sample was determined

  6. An oxide filled extended trench gate super junction MOSFET structure

    International Nuclear Information System (INIS)

    Cai-Lin, Wang; Jun, Sun

    2009-01-01

    This paper proposes an oxide filled extended trench gate super junction (SJ) MOSFET structure to meet the need of higher frequency power switches application. Compared with the conventional trench gate SJ MOSFET, new structure has the smaller input and output capacitances, and the remarkable improvements in the breakdown voltage, on-resistance and switching speed. Furthermore, the SJ in the new structure can be realized by the existing trench etching and shallow angle implantation, which offers more freedom to SJ MOSFET device design and fabrication. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  7. The electrochemical transfer reactions and the structure of the iron|oxide layer|electrolyte interface

    International Nuclear Information System (INIS)

    Petrović, Željka; Metikoš-Huković, Mirjana; Babić, Ranko

    2012-01-01

    The thickness, barrier (protecting) and semiconducting properties of the potentiostatically formed oxide films on the pure iron electrode in an aqueous borate buffer solution were investigated by electrochemical quartz crystal nanobalance (EQCN), electrochemical impedance spectroscopy (EIS), and Mott–Schottky (MS) analysis. The thicknesses of the prepassive Fe(II)hydroxide layer (up to monolayer) nucleated on the bare iron surface and the passive Fe(II)/Fe(III) layer (up to 2 nm), deposited on the top of the first one, were determined using in situ gravimetry. Electronic properties of iron prepassive and passive films as well as ionic and electronic transfer reactions at the film|solution interface were discussed on the basis of a band structure model of the surface oxide film and the potential distribution at the interface. The anodic oxide film formation and cathodic decomposition are coupled processes and their reversible inter-conversion is mediated by the availability of free charge carriers on the electrode|solution interface. The structure of the reversible double layer at the iron oxide|solution interface was discussed based on the concept of the specific adsorption of the imidazolium cation on the negatively charged electrode surface at pH > pH pzc .

  8. Modeling Manganese Sorption and Surface Oxidation During Filtration

    OpenAIRE

    Bierlein, Kevin Andrew

    2012-01-01

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

  9. The structure of surface texture knowledge

    International Nuclear Information System (INIS)

    Yan Wang; Scott, Paul J; Jiang Xiangqian

    2005-01-01

    This research aims to create an intelligent knowledge-based system for engineering and bio-medical engineering surface texture, which will provide expert knowledge of surface texture to link surface function, specification of micro- and nano-geometry through manufacture, and verification. The intelligent knowledge base should be capable of incorporating knowledge from multiple sources (standards, books, experts, etc), adding new knowledge from these sources and still remain a coherent reliable system. A new data model based on category theory will be adopted to construct this system

  10. Structure and high-piezoelectricity in lead oxide solid solutions

    NARCIS (Netherlands)

    Noheda, B.

    2002-01-01

    A review of the recent advances in the understanding of piezoelectricity in lead oxide solid solutions is presented, giving special attention to the structural aspects. It has now become clear that the very high electromechanical response in these materials is directly related to the existence of

  11. Electronic structure and ionicity of actinide oxides from first principles

    DEFF Research Database (Denmark)

    Petit, Leon; Svane, Axel; Szotek, Z.

    2010-01-01

    The ground-state electronic structures of the actinide oxides AO, A2O3, and AO2 (A=U, Np, Pu, Am, Cm, Bk, and Cf) are determined from first-principles calculations, using the self-interaction corrected local spin-density approximation. Emphasis is put on the degree of f-electron localization, whi...

  12. Structural investigations of biogenic iron oxide samples. Preliminary results

    International Nuclear Information System (INIS)

    Balasoiu, M.; Kuklin, A.I.; Orelovich, O.L.; Kovalev, Yu.S.; Arzumanyan, G.M.; Kurkin, T.S.; Stolyar, S.V.; Iskhakov, R.S.; Rajkher, Yu.L.

    2008-01-01

    Some preliminary results on morphology and structure of iron oxide particles formed inside Klebsiella oxytoca bacteria are presented. In particular, by means of optical microscopy, scanning electron microscopy and small-angle X-ray scattering the effect of the bacteria age (the duration of growth) on the nanoparticles properties is studied

  13. Moisture damage with magnesium oxide boards in Danish facade structures

    DEFF Research Database (Denmark)

    Rode, Carsten; Bunch-Nielsen, Tommy; Hansen, Kurt Kielsgaard

    2017-01-01

    Magnesium oxide boards have been widely used on facades in Denmark during 2010-2015. However, the magnesium salts absorb humidity from the ambient, and they begin to leak salty water, which is highly corrosive, and leads to moisture and mould problems in wooden members of the structures. Mg...

  14. Effects of Surface Structure and Chemical Composition of Binary Ti Alloys on Cell Differentiation

    Directory of Open Access Journals (Sweden)

    Ok-Sung Han

    2016-07-01

    Full Text Available Binary Ti alloys containing Fe, Mo, V and Zr were micro-arc oxidized and hydrothermally treated to obtain micro- and nano-porous layers. This study aimed to investigate cell differentiation on micro and micro/nanoporous oxide layers of Ti alloys. The properties of the porous layer formed on Ti alloys were characterized by X-ray diffraction pattern, microstructural and elemental analyses and inductively coupled plasma mass spectrometry (ICP-MS method. The MTT assay, total protein production and alkaline phosphatase (ALPase activity were evaluated using human osteoblast-like cells (MG-63. Microporous structures of micro-arc oxidized Ti alloys were changed to micro/nanoporous surfaces after hydrothermal treatment. Micro/nanoporous surfaces consisted of acicular TiO2 nanoparticles and micron-sized hydroxyapatite particles. From ICP and MTT tests, the Mo and V ions released from porous oxide layers were positive for cell viability, while the released Fe ions were negative for cell viability. Although the micro/nanoporous surfaces led to a lower total protein content than the polished and microporous Ti surfaces after cell incubation for 7 days, they caused higher ALPase activities after 7 days and 14 days of incubation except for V-containing microporous surfaces. The micro/nanoporous surfaces of Ti alloys were more efficient in inducing MG-63 cell differentiation.

  15. Surface modification induced by UV nanosecond Nd:YVO4 laser structuring on biometals

    Science.gov (United States)

    Fiorucci, M. Paula; López, Ana J.; Ramil, Alberto

    2014-08-01

    Laser surface texturing is a promising tool for improving metallic biomaterials performance in dental and orthopedic bone-replacing applications. Laser ablation modifies the topography of bulk material and might alter surface properties that govern the interactions with the surrounding tissue. This paper presents a preliminary evaluation of surface modifications in two biometals, stainless steel 316L and titanium alloy Ti6Al4V by UV nanosecond Nd:YVO4. Scanning electron microscopy of the surface textured by parallel micro-grooves reveals a thin layer of remelted material along the grooves topography. Furthermore, X-ray diffraction allowed us to appreciate a grain refinement of original crystal structure and consequently induced residual strain. Changes in the surface chemistry were determined by means of X-ray photoelectron spectroscopy; in this sense, generalized surface oxidation was observed and characterization of the oxides and other compounds such hydroxyl groups was reported. In case of titanium alloy, oxide layer mainly composed by TiO2 which is a highly biocompatible compound was identified. Furthermore, laser treatment produces an increase in oxide thickness that could improve the corrosion behavior of the metal. Otherwise, laser treatment led to the formation of secondary phases which might be detrimental to physical and biocompatibility properties of the material.

  16. The electronic structure of co-sputtered zinc indium tin oxide thin films

    Energy Technology Data Exchange (ETDEWEB)

    Carreras, Paz; Antony, Aldrin; Bertomeu, Joan [Departament de Fisica Aplicada i Optica, Universitat de Barcelona, 08028 Barcelona (Spain); Gutmann, Sebastian [Department of Chemistry, University of South Florida, Tampa, Florida 33620 (United States); Schlaf, Rudy [Department of Electrical Engineering, University of South Florida, Tampa, Florida 33620 (United States)

    2011-10-01

    Zinc indium tin oxide (ZITO) transparent conductive oxide layers were deposited via radio frequency (RF) magnetron co-sputtering at room temperature. A series of samples with gradually varying zinc content was investigated. The samples were characterized with x-ray and ultraviolet photoemission spectroscopy (XPS, UPS) to determine the electronic structure of the surface. Valence and conduction bands maxima (VBM, CBM), and work function were determined. The experiments indicate that increasing Zn content results in films with a higher defect rate at the surface leading to the formation of a degenerately doped surface layer if the Zn content surpasses {approx}50%. Furthermore, the experiments demonstrate that ZITO is susceptible to ultraviolet light induced work function reduction, similar to what was earlier observed on ITO and TiO{sub 2} films.

  17. Effect of processing on structural features of anodic aluminum oxides

    Science.gov (United States)

    Erdogan, Pembe; Birol, Yucel

    2012-09-01

    Morphological features of the anodic aluminum oxide (AAO) templates fabricated by electrochemical oxidation under different processing conditions were investigated. The selection of the polishing parameters does not appear to be critical as long as the aluminum substrate is polished adequately prior to the anodization process. AAO layers with a highly ordered pore distribution are obtained after anodizing in 0.6 M oxalic acid at 20 °C under 40 V for 5 minutes suggesting that the desired pore features are attained once an oxide layer develops on the surface. While the pore features are not affected much, the thickness of the AAO template increases with increasing anodization treatment time. Pore features are better and the AAO growth rate is higher at 20 °C than at 5 °C; higher under 45 V than under 40 V; higher with 0.6 M than with 0.3 M oxalic acid.

  18. Oxide glass structure evolution under swift heavy ion irradiation

    International Nuclear Information System (INIS)

    Mendoza, C.; Peuget, S.; Charpentier, T.; Moskura, M.; Caraballo, R.; Bouty, O.; Mir, A.H.; Monnet, I.; Grygiel, C.; Jegou, C.

    2014-01-01

    Highlights: • Structure of SHI irradiated glass is similar to the one of a hyper quenched glass. • D2 Raman band associated to 3 members ring is only observed in irradiated glass. • Irradiated state seems slightly different to an equilibrated liquid quenched rapidly. - Abstract: The effects of ion tracks on the structure of oxide glasses were examined by irradiating a silica glass and two borosilicate glass specimens containing 3 and 6 oxides with krypton ions (74 MeV) and xenon ions (92 MeV). Structural changes in the glass were observed by Raman and nuclear magnetic resonance spectroscopy using a multinuclear approach ( 11 B, 23 Na, 27 Al and 29 Si). The structure of irradiated silica glass resembles a structure quenched at very high temperature. Both borosilicate glass specimens exhibited depolymerization of the borosilicate network, a lower boron coordination number, and a change in the role of a fraction of the sodium atoms after irradiation, suggesting that the final borosilicate glass structures were quenched from a high temperature state. In addition, a sharp increase in the concentration of three membered silica rings and the presence of large amounts of penta- and hexacoordinate aluminum in the irradiated 6-oxide glass suggest that the irradiated glass is different from a liquid quenched at equilibrium, but it is rather obtained from a nonequilibrium liquid that is partially relaxed by very rapid quenching within the ion tracks

  19. Coal surface structure and thermodynamics. Final report

    Energy Technology Data Exchange (ETDEWEB)

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

    1994-05-01

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

  20. Attenuation of the in vitro neurotoxicity of 316L SS by graphene oxide surface coating

    International Nuclear Information System (INIS)

    Tasnim, Nishat; Kumar, Alok; Joddar, Binata

    2017-01-01

    A persistent theme in biomaterials research comprises of surface engineering and modification of bare metallic substrates for improved cellular response and biocompatibility. Graphene Oxide (GO), a derivative of graphene, has outstanding chemical and mechanical properties; its large surface to volume ratio, ease of surface modification and processing make GO an attractive coating material. GO-coatings have been extensively studied as biosensors. Further owing to its surface nano-architecture, GO-coated surfaces promote cell adhesion and growth, making it suitable for tissue engineering applications. The need to improve the long-term durability and therapeutic effectiveness of commercially available bare 316L stainless steel (SS) surfaces led us to adopt a polymer-free approach which is cost-effective and scalable. GO was immobilized on to 316L SS utilizing amide linkage, to generate a strongly adherent uniform coating with surface roughness. GO-coated 316L SS surfaces showed increased hydrophilicity and biocompatibility with SHSY-5Y neuronal cells, which proliferated well and showed decreased reactive oxygen species (ROS) expression. In contrast, cells did not adhere to bare uncoated 316L SS meshes nor maintain viability when cultured in the vicinity of bare meshes. Therefore the combination of the improved surface properties and biocompatibility implies that GO-coating can be utilized to overcome pertinent limitations of bare metallic 316L SS implant surfaces, especially SS neural electrodes. Also, the procedure for making GO-based protective coatings can be applied to numerous other implants where the development of such protective films is necessary. - Highlights: • GO was immobilized on to 316L SS utilizing carbodiimide chemistry to generate a strong adherent uniform nano coating. • GO-modified surfaces showed increased hydrophilicity and biocompatibility with SH5YSY cells cultured atop these surfaces. • Proliferation and alignment of the cells with the

  1. Attenuation of the in vitro neurotoxicity of 316L SS by graphene oxide surface coating

    Energy Technology Data Exchange (ETDEWEB)

    Tasnim, Nishat; Kumar, Alok; Joddar, Binata, E-mail: bjoddar@utep.edu

    2017-04-01

    A persistent theme in biomaterials research comprises of surface engineering and modification of bare metallic substrates for improved cellular response and biocompatibility. Graphene Oxide (GO), a derivative of graphene, has outstanding chemical and mechanical properties; its large surface to volume ratio, ease of surface modification and processing make GO an attractive coating material. GO-coatings have been extensively studied as biosensors. Further owing to its surface nano-architecture, GO-coated surfaces promote cell adhesion and growth, making it suitable for tissue engineering applications. The need to improve the long-term durability and therapeutic effectiveness of commercially available bare 316L stainless steel (SS) surfaces led us to adopt a polymer-free approach which is cost-effective and scalable. GO was immobilized on to 316L SS utilizing amide linkage, to generate a strongly adherent uniform coating with surface roughness. GO-coated 316L SS surfaces showed increased hydrophilicity and biocompatibility with SHSY-5Y neuronal cells, which proliferated well and showed decreased reactive oxygen species (ROS) expression. In contrast, cells did not adhere to bare uncoated 316L SS meshes nor maintain viability when cultured in the vicinity of bare meshes. Therefore the combination of the improved surface properties and biocompatibility implies that GO-coating can be utilized to overcome pertinent limitations of bare metallic 316L SS implant surfaces, especially SS neural electrodes. Also, the procedure for making GO-based protective coatings can be applied to numerous other implants where the development of such protective films is necessary. - Highlights: • GO was immobilized on to 316L SS utilizing carbodiimide chemistry to generate a strong adherent uniform nano coating. • GO-modified surfaces showed increased hydrophilicity and biocompatibility with SH5YSY cells cultured atop these surfaces. • Proliferation and alignment of the cells with the

  2. Structure and properties of tempo-oxidized cotton fibers

    Directory of Open Access Journals (Sweden)

    Milanovic Jovana

    2012-01-01

    Full Text Available In this paper, the influence of the catalytic oxidation using water soluble and stable nitroxyl radical 2,2´,6,6´-tetramethylpiperidine-1-oxyl (TEMPO on structure and properties of cotton fibers was studied. In particular, the selective TEMPO-mediated oxidation has become very interesting way for introduction of functional groups into cellulose fibers with the aim to obtain oxycellulose fibers with specific properties. Unmodified and modified fibers were characterized in terms of weight loss values, introduced functional groups and crystallinity index. Also, oxidized fibers were characterized in terms of the sorption, morphological, and physico-mechanical properties. The TEMPO-oxidized cotton fibers show a minimum increase of fineness (from 1.32 to 1.28 dtex and increase of crystallinity index (up to 91.9%, while the tensile strength of fibers decreases (up to 10.82 cN/tex. By the TEMPO-mediated oxidation of cotton fibers significant amount of carboxyl groups (up to 0.795 mmol/g cell can be introduced into cellulose fibers. Introduced hydrophilic carboxyl groups increases the sorption properties of oxidized fibers, that can be used directly or for further chemical modification.

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

    International Nuclear Information System (INIS)

    Enevold Thaulov Andersen, J.

    1990-11-01

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

  4. In situ X-ray probing reveals fingerprints of surface platinum oxide.

    Science.gov (United States)

    Friebel, Daniel; Miller, Daniel J; O'Grady, Christopher P; Anniyev, Toyli; Bargar, John; Bergmann, Uwe; Ogasawara, Hirohito; Wikfeldt, Kjartan Thor; Pettersson, Lars G M; Nilsson, Anders

    2011-01-07

    In situ X-ray absorption spectroscopy (XAS) at the Pt L(3) edge is a useful probe for Pt-O interactions at polymer electrolyte membrane fuel cell (PEMFC) cathodes. We show that XAS using the high energy resolution fluorescence detection (HERFD) mode, applied to a well-defined monolayer Pt/Rh(111) sample where the bulk penetrating hard X-rays probe only surface Pt atoms, provides a unique sensitivity to structure and chemical bonding at the Pt-electrolyte interface. Ab initio multiple-scattering calculations using the FEFF code and complementary extended X-ray absorption fine structure (EXAFS) results indicate that the commonly observed large increase of the white-line at high electrochemical potentials on PEMFC cathodes originates from platinum oxide formation, whereas previously proposed chemisorbed oxygen-containing species merely give rise to subtle spectral changes.

  5. Fenton Redox Chemistry : Arsenite Oxidation by Metallic Surfaces

    NARCIS (Netherlands)

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

    2014-01-01

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

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

    International Nuclear Information System (INIS)

    Costa, I.; Ramanathan, L.V.

    1986-01-01

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

  7. Soluble and immobilized graphene oxide activates complement system differently dependent on surface oxidation state

    DEFF Research Database (Denmark)

    Wibroe, Peter Popp; Petersen, Søren Vermehren; Bovet, Nicolas Emile

    2016-01-01

    on two related elements of innate immunity: the complement system and interleukin-6 (IL-6) release in human blood. In solution, there was a decrease in GO-mediated complement activation with decreasing surface oxygen content (and altered oxygen functionality), whereas with immobilized GO complement...... response were reversed and increased with decreasing oxygen content. GO solutions, at concentrations below complement activating threshold, did not induce IL-6 release from human blood leukocytes, and further dampened lipopolysaccharide-induced IL-6 release in the whole blood. The latter effect became more...... profound with GO's having higher oxygen content. This protective role of GO solutions, however, disappeared at higher concentrations above complement-activating threshold. We discuss these results in relation to GO surface structure and properties, and implications for local administration and development...

  8. Adherence of human oral keratinocytes and gingival fibroblasts to nano-structured titanium surfaces.

    Science.gov (United States)

    Dorkhan, Marjan; Yücel-Lindberg, Tülay; Hall, Jan; Svensäter, Gunnel; Davies, Julia R

    2014-06-21

    A key element for long-term success of dental implants is integration of the implant surface with the surrounding host tissues. Modification of titanium implant surfaces can enhance osteoblast activity but their effects on soft-tissue cells are unclear. Adherence of human keratinocytes and gingival fibroblasts to control commercially pure titanium (CpTi) and two surfaces prepared by anodic oxidation was therefore investigated. Since implant abutments are exposed to a bacteria-rich environment in vivo, the effect of oral bacteria on keratinocyte adhesion was also evaluated. The surfaces were characterized using scanning electron microscopy (SEM). The number of adhered cells and binding strength, as well as vitality of fibroblasts and keratinocytes were evaluated using confocal scanning laser microscopy after staining with Live/Dead Baclight. To evaluate the effect of bacteria on adherence and vitality, keratinocytes were co-cultured with a four-species streptococcal consortium. SEM analysis showed the two anodically oxidized surfaces to be nano-structured with differing degrees of pore-density. Over 24 hours, both fibroblasts and keratinocytes adhered well to the nano-structured surfaces, although to a somewhat lesser degree than to CpTi (range 42-89% of the levels on CpTi). The strength of keratinocyte adhesion was greater than that of the fibroblasts but no differences in adhesion strength could be observed between the two nano-structured surfaces and the CpTi. The consortium of commensal streptococci markedly reduced keratinocyte adherence on all the surfaces as well as compromising membrane integrity of the adhered cells. Both the vitality and level of adherence of soft-tissue cells to the nano-structured surfaces was similar to that on CpTi. Co-culture with streptococci reduced the number of keratinocytes on all the surfaces to approximately the same level and caused cell damage, suggesting that commensal bacteria could affect adherence of soft-tissue cells to

  9. Importance of surface structure on dissolution of fluorite

    DEFF Research Database (Denmark)

    Godinho, Jose; Piazolo, Sandra; Balic Zunic, Tonci

    2014-01-01

    forming the initial surface and its inclination to the closest stable planes, which are specific for each surface orientation. During an initial dissolution regime dissolution rates decrease significantly, even though the total surface area increases. During a second dissolution regime, some surfaces...... by the relative stability of the planes and type of edges that constitute a surface needs to be considered. Significant differences between dissolution rates calculated based on surface area alone, and based on surface reactivity are expected for materials with the fluorite structure....

  10. Nanoscale surface modification of Li-rich layered oxides for high-capacity cathodes in Li-ion batteries

    Science.gov (United States)

    Lan, Xiwei; Xin, Yue; Wang, Libin; Hu, Xianluo

    2018-03-01

    Li-rich layered oxides (LLOs) have been developed as a high-capacity cathode material for Li-ion batteries, but the structural complexity and unique initial charging behavior lead to several problems including large initial capacity loss, capacity and voltage fading, poor cyclability, and inferior rate capability. Since the surface conditions are critical to electrochemical performance and the drawbacks, nanoscale surface modification for improving LLO's properties is a general strategy. This review mainly summarizes the surface modification of LLOs and classifies them into three types of surface pre-treatment, surface gradient doping, and surface coating. Surface pre-treatment usually introduces removal of Li2O for lower irreversible capacity while surface doping is aimed to stabilize the structure during electrochemical cycling. Surface coating layers with different properties, protective layers to suppress the interface side reaction, coating layers related to structural transformation, and electronic/ionic conductive layers for better rate capability, can avoid the shortcomings of LLOs. In addition to surface modification for performance enhancement, other strategies can also be investigated to achieve high-performance LLO-based cathode materials.

  11. Impact of methionine oxidation on calmodulin structural dynamics

    Energy Technology Data Exchange (ETDEWEB)

    McCarthy, Megan R.; Thompson, Andrew R.; Nitu, Florentin [Biochemistry, Molecular Biology and Biophysics Department, University of Minnesota, Minneapolis, MN 55455 (United States); Moen, Rebecca J. [Chemistry and Geology Department, Minnesota State University, Mankato, MN 56001 (United States); Olenek, Michael J. [Biology Department, University of Wisconsin, La Crosse, WI 54601 (United States); Klein, Jennifer C., E-mail: jklein@uwlax.edu [Biology Department, University of Wisconsin, La Crosse, WI 54601 (United States); Thomas, David D., E-mail: ddt@umn.edu [Biochemistry, Molecular Biology and Biophysics Department, University of Minnesota, Minneapolis, MN 55455 (United States)

    2015-01-09

    Highlights: • We measured the distance distribution between two spin labels on calmodulin by DEER. • Two structural states, open and closed, were resolved at both low and high Ca. • Ca shifted the equilibrium toward the open state by a factor of 13. • Methionine oxidation, simulated by glutamine substitution, decreased the Ca effect. • These results have important implications for aging in muscle and other tissues. - Abstract: We have used electron paramagnetic resonance (EPR) to examine the structural impact of oxidizing specific methionine (M) side chains in calmodulin (CaM). It has been shown that oxidation of either M109 or M124 in CaM diminishes CaM regulation of the muscle calcium release channel, the ryanodine receptor (RyR), and that mutation of M to Q (glutamine) in either case produces functional effects identical to those of oxidation. Here we have used site-directed spin labeling and double electron–electron resonance (DEER), a pulsed EPR technique that measures distances between spin labels, to characterize the structural changes resulting from these mutations. Spin labels were attached to a pair of introduced cysteine residues, one in the C-lobe (T117C) and one in the N-lobe (T34C) of CaM, and DEER was used to determine the distribution of interspin distances. Ca binding induced a large increase in the mean distance, in concert with previous X-ray crystallography and NMR data, showing a closed structure in the absence of Ca and an open structure in the presence of Ca. DEER revealed additional information about CaM’s structural heterogeneity in solution: in both the presence and absence of Ca, CaM populates both structural states, one with probes separated by ∼4 nm (closed) and another at ∼6 nm (open). Ca shifts the structural equilibrium constant toward the open state by a factor of 13. DEER reveals the distribution of interprobe distances, showing that each of these states is itself partially disordered, with the width of each

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-04-15

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

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

    International Nuclear Information System (INIS)

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

    2017-01-01

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

  14. Aerosol - assisted Chemical Vapor Deposition of Metal Oxide Structures: Zinc Oxide Rods

    Czech Academy of Sciences Publication Activity Database

    Vallejos, S.; Pizúrová, Naděžda; Čechal, J.; Grácia, I.; Cané, C.

    2017-01-01

    Roč. 2017, Č. 127 (2017), č. článku e56127. ISSN 1940-087X Institutional support: RVO:68081723 Keywords : Zinc oxide * columnar structures * rods * AACVD * non-catalyzed growth * vapor-solid mechanism Subject RIV: CA - Inorganic Chemistry OBOR OECD: Polymer science Impact factor: 1.232, year: 2016 https://www.jove.com/video/56127

  15. Dislocations and related defects in niobium oxide structures

    Energy Technology Data Exchange (ETDEWEB)

    Anderson, J S; Hutchinson, J L; Lincoln, F J [Oxford Univ. (UK). Inorganic Chemistry Lab.

    1977-01-07

    Lattice images of the niobium oxides, structures based on the linkage of octahedral groups in continuous networks, occasionally contain features recognizable as dislocations. Since lattice imaging enables the microstructure to be resolved in greater detail, at the level of local structural organization, it is possible to determine the configuration, and also to infer the chemical composition, of dislocated areas. By treating the niobium oxide 'block' structures as superstructures of the ReO/sub 3/ (DO/sub 9/) type, the topology of dislocations can be expressed by relations between the insertion (or deletion) of one or more half-planes of cations, or of oxygen atoms only, changes in the number of crystallographic shear plane interfaces between blocks or columns, changes in (idealized) dimensions and any requisite distortion in the third dimension. Mapping the structure around a dislocation, from the lattice image, is directly equivalent to plotting the Burgers' circuit. In this way, the precise nature of a dislocating perturbation and its implications for the local chemical composition of the crystal can be directly identified. The method is exemplified by analysis of dislocations and of related extended defects of several types, associated with twinning phenomena, semicoherent intergrowth between different ReO/sub 3/-type superstructures and arrays building up a low angle boundary. The essential features of the analysis are not restricted to structures of the niobium oxide type, but can be extended to other types of polyhedron networks.

  16. Biomedical application of hierarchically built structures based on metal oxides

    Science.gov (United States)

    Korovin, M. S.; Fomenko, A. N.

    2017-12-01

    Nowadays, the use of hierarchically built structures in biology and medicine arouses much interest. The aim of this work is to review and summarize the available literature data about hierarchically organized structures in biomedical application. Nanoparticles can serve as an example of such structures. Medicine holds a special place among various application methods of similar systems. Special attention is paid to inorganic nanoparticles based on different metal oxides and hydroxides, such as iron, zinc, copper, and aluminum. Our investigations show that low-dimensional nanostructures based on aluminum oxides and hydroxides have an inhibitory effect on tumor cells and possess an antimicrobial activity. At the same time, it is obvious that the large-scale use of nanoparticles by humans needs to thoroughly study their properties. Special attention should be paid to the study of nanoparticle interaction with living biological objects. The numerous data show that there is no clear understanding of interaction mechanisms between nanoparticles and various cell types.

  17. Structure of chitosan thermosensitive gels containing graphene oxide

    Science.gov (United States)

    Tylman, Michał; Pieklarz, Katarzyna; Owczarz, Piotr; Maniukiewicz, Waldemar; Modrzejewska, Zofia

    2018-06-01

    The supramolecular hydrogels of chitosan and graphene oxide (GO) have been prepared at temperature of the human body, by controlling the concentration of GO and ratio of chitosan to GO. During the preparation of gels the sodium β-glycerophosphate (Na-β-GP) was used as a neutralizing agent. The structure of obtained gels was determined on the basis of FTIR spectra and XRD diffraction patterns. The results of structural studies have been referenced to gels without graphene oxide. It was found that the gels crystalline structure after the addition of GO does not change. The XRD diffraction patterns are characterized by a number of peaks associated with precipitated NaCl during drying and presence of sodium β-glycerophosphate.

  18. Surface oxidation of porous ZrB{sub 2}-SiC ceramic composites by continuous-wave ytterbium fibre laser

    Energy Technology Data Exchange (ETDEWEB)

    Mahmod, Dayang Salyani Abang, E-mail: dygsalyani@gmail.com [Department of Mechanical and Manufacturing Engineering, Faculty of Engineering, Universiti Malaysia Sarawak, 94300 Kota Samarahan, Sarawak (Malaysia); Glandut, Nicolas [SPCTS, UMR 7315, CNRS, University of Limoges, European Ceramic Center, 12 Rue Atlantis, 87068 Limoges (France); Khan, Amir Azam [Department of Mechanical and Manufacturing Engineering, Faculty of Engineering, Universiti Malaysia Sarawak, 94300 Kota Samarahan, Sarawak (Malaysia); Labbe, Jean-Claude [SPCTS, UMR 7315, CNRS, University of Limoges, European Ceramic Center, 12 Rue Atlantis, 87068 Limoges (France)

    2015-12-01

    Highlights: • Surface oxidation of ZrB{sub 2}-SiC ceramic composites by Yb-fibre laser. • Round spiral laser pattern created for the surface oxidation. • Presence of laser-formed oxide scale and unaffected beneath regions. • Crazed but uncracked surface oxide. • A dense glassy SiO{sub 2}-rich layer exhibited enhances oxidation resistance. - Abstract: Surface treatment of ceramic substrates by a laser beam can allow to incorporate interesting properties to these ceramics. In the present work, surface oxidation of ca. 30% porous ZrB{sub 2}-SiC ceramic composites by using an ytterbium fibre laser was conducted. Oxidation of ceramic substrates through this process under ambient conditions has certain advantages compared to the classical oxidation method. A particular spiral laser pattern was created in order to produce an oxidized structure on ZrB{sub 2}-SiC porous substrates. The laser parameters were as follows i.e., laser power of 50, 60 and 70 W, a beam diameter of 1.25 mm, velocity of 2 mm/s, acceleration and deceleration of 1 mm/s{sup 2}. The microstructural and morphological changes in the laser-treated region was examined using scanning electron microscopy, energy dispersive X-ray spectroscopy, and X-ray diffraction. At laser power of 70 W, the sample exhibits uniform oxidation. It revealed that the very porous bulk beneath remained unaffected and unoxidized because this laser-formed oxide scale protects the substrate from oxidation. The presence of oxidized and unaffected regions indicated a high degree of heat localization. The dense glassy SiO{sub 2}-rich layer prevents the inward oxygen diffusion into the inner bulk hence enhances the oxidation resistance.

  19. IEP as a parameter characterizing the pH-dependent surface charging of materials other than metal oxides.

    Science.gov (United States)

    Kosmulski, Marek

    2012-01-01

    The numerical values of points of zero charge (PZC, obtained by potentiometric titration) and of isoelectric points (IEP) of various materials reported in the literature have been analyzed. In sets of results reported for the same chemical compound (corresponding to certain chemical formula and crystallographic structure), the IEP are relatively consistent. In contrast, in materials other than metal oxides, the sets of PZC are inconsistent. In view of the inconsistence in the sets of PZC and of the discrepancies between PZC and IEP reported for the same material, it seems that IEP is more suitable than PZC as the unique number characterizing the pH-dependent surface charging of materials other than metal oxides. The present approach is opposite to the usual approach, in which the PZC and IEP are considered as two equally important parameters characterizing the pH-dependent surface charging of materials other than metal oxides. Copyright © 2012 Elsevier B.V. All rights reserved.

  20. Hydroxyl migration disorders the surface structure of hydroxyapatite nanoparticles

    Science.gov (United States)

    Cheng, Xiajie; Wu, Hong; Zhang, Li; Ma, Xingtao; Zhang, Xingdong; Yang, Mingli

    2017-09-01

    The surface structure of nano-hydroxyapatite (HAP) was investigated using a combined simulated annealing and molecular dynamics method. The stationary structures of nano-HAP with 4-7 nm in diameter and annealed under different temperatures were analyzed in terms of pair distribution function, structural factor, mean square displacement and atomic coordination number. The particles possess different structures from bulk crystal. A clear radial change in their atomic arrangements was noted. From core to surface the structures change from ordered to disordered. A three-shell model was proposed to describe the structure evolution of nano-HAP. Atoms in the core zone keep their arrangements as in crystal, while atoms in the surface shell are in short-range order and long-range disorder, adopting a typically amorphous structure. Atoms in the middle shell have small displacements and/or deflections but basically retain their original locations as in crystal. The disordered shell is about 1 nm in thickness, in agreement with experimental observations. The disordering mainly stems from hydroxyl migration during which hydroxyls move to the surface and bond with the exposed Ca ions, and their left vacancies bring about a rearrangement of nearby atoms. The disordering is to some extent different for particles unannealed under different temperatures, resulting from fewer number of migrated hydroxyls at lower temperatures. Particles with different sizes have similar surface structures, and their surface energy decreases with increasing size. Moreover, the surface energy is reduced by hydroxyl migration because the exposed Ca ions on the surface are ionically bonded with the migrated hydroxyls. Our calculations proposed a new structure model for nano-HAP, which indicates a surface structure with activities different from those without surface reorganization. This is particularly interesting because most bioactivities of biomaterials are dominated by their surface activity.

  1. Micro-arc oxidation as a tool to develop multifunctional calcium-rich surfaces for dental implant applications

    Energy Technology Data Exchange (ETDEWEB)

    Ribeiro, A.R., E-mail: arribeiro@inmetro.gov.br [Department of Periodontology, Araraquara Dental School, University Estadual Paulista, Rua Humaitá 1680, 14801-903 Araraquara, São Paulo (Brazil); Directory of Metrology Applied to Life Science, National Institute of Metrology Quality and Technology, Av. N. S. das Graças 50, Xerém, Duque de Caxias, Rio de Janeiro (Brazil); Brazilian Branch of Institute of Biomaterials, Tribocorrosion and Nanomedicine (IBTN/Br) (Brazil); Oliveira, F., E-mail: fernando@dem.uminho.pt [Brazilian Branch of Institute of Biomaterials, Tribocorrosion and Nanomedicine (IBTN/Br) (Brazil); Centre for Mechanical and Materials Technologies, University of Minho, Campus de Azurém, 4800-058 Guimarães (Portugal); Boldrini, L.C., E-mail: lcboldrini@inmetro.gov.br [Directory of Metrology Applied to Life Science, National Institute of Metrology Quality and Technology, Av. N. S. das Graças 50, Xerém, Duque de Caxias, Rio de Janeiro (Brazil); Leite, P.E., E-mail: leitepec@gmail.com [Directory of Metrology Applied to Life Science, National Institute of Metrology Quality and Technology, Av. N. S. das Graças 50, Xerém, Duque de Caxias, Rio de Janeiro (Brazil); Falagan-Lotsch, P., E-mail: prifalagan@gmail.com [Directory of Metrology Applied to Life Science, National Institute of Metrology Quality and Technology, Av. N. S. das Graças 50, Xerém, Duque de Caxias, Rio de Janeiro (Brazil); Linhares, A.B.R., E-mail: adrianalinhares@hotmail.com [Clinical Research Unit, Antonio Pedro Hospital, Fluminense Federal University, Niterói (Brazil); and others

    2015-09-01

    Titanium (Ti) is commonly used in dental implant applications. Surface modification strategies are being followed in last years in order to build Ti oxide-based surfaces that can fulfill, simultaneously, the following requirements: induced cell attachment and adhesion, while providing a superior corrosion and tribocorrosion performance. In this work micro-arc oxidation (MAO) was used as a tool for the growth of a nanostructured bioactive titanium oxide layer aimed to enhance cell attachment and adhesion for dental implant applications. Characterization of the surfaces was performed, in terms of morphology, topography, chemical composition and crystalline structure. Primary human osteoblast adhesion on the developed surfaces was investigated in detail by electronic and atomic force microscopy as well as immunocytochemistry. Also an investigation on the early cytokine production was performed. Results show that a relatively thick hybrid and graded oxide layer was produced on the Ti surface, being constituted by a mixture of anatase, rutile and amorphous phases where calcium (Ca) and phosphorous (P) were incorporated. An outermost nanometric-thick amorphous oxide layer rich in Ca was present in the film. This amorphous layer, rich in Ca, improved fibroblast viability and metabolic activity as well as osteoblast adhesion. High-resolution techniques allowed to understand that osteoblasts adhered less in the crystalline-rich regions while they preferentially adhere and spread over in the Ca-rich amorphous oxide layer. Also, these surfaces induce higher amounts of IFN-γ cytokine secretion, which is known to regulate inflammatory responses, bone microarchitecture as well as cytoskeleton reorganization and cellular spreading. These surfaces are promising in the context of dental implants, since they might lead to faster osseointegration. - Highlights: • A nanometric-structured calcium-rich amorphous layer with improved bioactivity was produced on titanium surfaces.

  2. Micro-arc oxidation as a tool to develop multifunctional calcium-rich surfaces for dental implant applications

    International Nuclear Information System (INIS)

    Ribeiro, A.R.; Oliveira, F.; Boldrini, L.C.; Leite, P.E.; Falagan-Lotsch, P.; Linhares, A.B.R.

    2015-01-01

    Titanium (Ti) is commonly used in dental implant applications. Surface modification strategies are being followed in last years in order to build Ti oxide-based surfaces that can fulfill, simultaneously, the following requirements: induced cell attachment and adhesion, while providing a superior corrosion and tribocorrosion performance. In this work micro-arc oxidation (MAO) was used as a tool for the growth of a nanostructured bioactive titanium oxide layer aimed to enhance cell attachment and adhesion for dental implant applications. Characterization of the surfaces was performed, in terms of morphology, topography, chemical composition and crystalline structure. Primary human osteoblast adhesion on the developed surfaces was investigated in detail by electronic and atomic force microscopy as well as immunocytochemistry. Also an investigation on the early cytokine production was performed. Results show that a relatively thick hybrid and graded oxide layer was produced on the Ti surface, being constituted by a mixture of anatase, rutile and amorphous phases where calcium (Ca) and phosphorous (P) were incorporated. An outermost nanometric-thick amorphous oxide layer rich in Ca was present in the film. This amorphous layer, rich in Ca, improved fibroblast viability and metabolic activity as well as osteoblast adhesion. High-resolution techniques allowed to understand that osteoblasts adhered less in the crystalline-rich regions while they preferentially adhere and spread over in the Ca-rich amorphous oxide layer. Also, these surfaces induce higher amounts of IFN-γ cytokine secretion, which is known to regulate inflammatory responses, bone microarchitecture as well as cytoskeleton reorganization and cellular spreading. These surfaces are promising in the context of dental implants, since they might lead to faster osseointegration. - Highlights: • A nanometric-structured calcium-rich amorphous layer with improved bioactivity was produced on titanium surfaces.

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

    DEFF Research Database (Denmark)

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

    2014-01-01

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

  4. Compression and Injection Moulding of Nano-Structured Polymer Surfaces

    DEFF Research Database (Denmark)

    Pranov, Henrik; Rasmussen, Henrik Koblitz

    2006-01-01

    In our research we investigate the non-isothermal replication of complex nano and micro surface structures in injection and compression moulding.......In our research we investigate the non-isothermal replication of complex nano and micro surface structures in injection and compression moulding....

  5. Chemical and surface analysis during evolution of arsenopyrite oxidation by Acidithiobacillus thiooxidans in the presence and absence of supplementary arsenic

    International Nuclear Information System (INIS)

    Ramírez-Aldaba, Hugo; Valles, O. Paola; Vazquez-Arenas, Jorge; Rojas-Contreras, J. Antonio; Valdez-Pérez, Donato; Ruiz-Baca, Estela

    2016-01-01

    Bioleaching of arsenopyrite presents a great interest due to recovery of valuable metals and environmental issues. The current study aims to evaluate the arsenopyrite oxidation by Acidithiobacillus thiooxidans during 240 h at different time intervals, in the presence and absence of supplementary arsenic. Chemical and electrochemical characterizations are carried out using Raman, AFM, SEM-EDS, Cyclic Voltammetry, EIS, electrophoretic and adhesion forces to comprehensively assess the surface behavior and biooxidation mechanism of this mineral. These analyses evidence the formation of pyrite-like secondary phase on abiotic control surfaces, which contrast with the formation of pyrite (FeS_2)-like, orpiment (As_2S_3)-like and elementary sulfur and polysulfide (S_n"2"−/S"0) phases found on biooxidized surfaces. Voltammetric results indicate a significant alteration of arsenopyrite due to (bio)oxidation. Resistive processes determined with EIS are associated with chemical and electrochemical reactions mediated by (bio)oxidation, resulting in the transformation of arsenopyrite surface and biofilm direct attachment. Charge transfer resistance is increased when (bio)oxidation is performed in the presence of supplementary arsenic, in comparison with lowered abiotic control resistances obtained in its absence; reinforcing the idea that more stable surface products are generated when As(V) is in the system. Biofilm structure is mainly comprised of micro-colonies, progressively enclosed in secondary compounds. A more compact biofilm structure with enhanced formation of secondary compounds is identified in the presence of supplementary arsenic, whereby variable arsenopyrite reactivity is linked and attributed to these secondary compounds, including S_n"2"−/S"0, pyrite-like and orpiment-like phases. - Highlights: • Biofilm structures occur as compact micro-colonies. • Surface transformation reactions control arsenopyrite and cell interactions. • Toxic arsenic does not

  6. Surface modification method for reactor incore structural component

    International Nuclear Information System (INIS)

    Obata, Minoru; Sudo, Akira.

    1996-01-01

    A large number of metal or ceramic small spheres accelerated by pressurized air are collided against a surface of a reactor incore structures or a welded surface of the structural components, and then finishing is applied by polishing to form compression stresses on the surface. This can change residual stresses into compressive stress without increasing the strength of the surface. Accordingly, stress corrosion crackings of the incore structural components or welded portions thereof can be prevented thereby enabling to extend the working life of equipments. (T.M.)

  7. Characterization of technical surfaces by structure function analysis

    Science.gov (United States)

    Kalms, Michael; Kreis, Thomas; Bergmann, Ralf B.

    2018-03-01

    The structure function is a tool for characterizing technical surfaces that exhibits a number of advantages over Fourierbased analysis methods. So it is optimally suited for analyzing the height distributions of surfaces measured by full-field non-contacting methods. The structure function is thus a useful method to extract global or local criteria like e. g. periodicities, waviness, lay, or roughness to analyze and evaluate technical surfaces. After the definition of line- and area-structure function and offering effective procedures for their calculation this paper presents examples using simulated and measured data of technical surfaces including aircraft parts.

  8. Cluster structures influenced by interaction with a surface.

    Science.gov (United States)

    Witt, Christopher; Dieterich, Johannes M; Hartke, Bernd

    2018-05-30

    Clusters on surfaces are vitally important for nanotechnological applications. Clearly, cluster-surface interactions heavily influence the preferred cluster structures, compared to clusters in vacuum. Nevertheless, systematic explorations and an in-depth understanding of these interactions and how they determine the cluster structures are still lacking. Here we present an extension of our well-established non-deterministic global optimization package OGOLEM from isolated clusters to clusters on surfaces. Applying this approach to intentionally simple Lennard-Jones test systems, we produce a first systematic exploration that relates changes in cluster-surface interactions to resulting changes in adsorbed cluster structures.

  9. Composition-structure-property relation of oxide glasses

    DEFF Research Database (Denmark)

    Hermansen, Christian

    also increases such properties. Yet, these rules are not strictly followed even for the simplest binary oxide glasses, such as alkali silicates, borates and phosphates. In this thesis it is argued that the missing link between composition and properties is the glass structure. Structural models...... are proposed based on topological selection rules and experimentally verified. The relation between structure and properties is evaluated using topological constraint theory, which in its essence is a theory that quantifies the two intuitions of the glass scientist. The end result is a quantitative model...

  10. Processing, Structure and High Temperature Oxidation Properties of Polymer-Derived and Hafnium Oxide Based Ceramic Systems

    Science.gov (United States)

    Terauds, Kalvis

    Demands for hypersonic aircraft are driving the development of ultra-high temperature structural materials. These aircraft, envisioned to sustain Mach 5+, are expected to experience continuous temperatures of 1200--1800°C on the aircraft surface and temperatures as high as 2800°C in combustion zones. Breakthroughs in the development of fiber based ceramic matrix composites (CMCs) are opening the door to a new class of high-tech UHT structures for aerospace applications. One limitation with current carbon fiber or silicon carbide fiber based CMC technology is the inherent problem of material oxidation, requiring new approaches for protective environmental barrier coatings (EBC) in extreme environments. This thesis focuses on the development and characterization of SiCN-HfO2 based ceramic composite EBC systems to be used as a protective layer for silicon carbide fiber based CMCs. The presented work covers three main architectures for protection (i) multilayer films, (ii) polymer-derived HfSiCNO, and (iii) composite SiCN-HfO 2 infiltration. The scope of this thesis covers processing development, material characterization, and high temperature oxidation behavior of these three SiCN-HfO2 based systems. This work shows that the SiCN-HfO 2 composite materials react upon oxidation to form HfSiO4, offering a stable EBC in streaming air and water vapor at 1600°C.

  11. Fragmentation pathways of nanofractal structures on surfaces

    DEFF Research Database (Denmark)

    Dick, Veronika V.; Solov'yov, Ilia; Solov'yov, Andrey V.

    2011-01-01

    We present a theoretical analysis of the post-growth processes occurring in nanofractals grown on a surface. For this study we have developed a method that accounts for the internal dynamics of particles in a fractal. We demonstrate that the detachment of particles from the fractal and their diff...

  12. Atomic structure and composition of the yttria-stabilized zirconia (111) surface.

    Science.gov (United States)

    Vonk, Vedran; Khorshidi, Navid; Stierle, Andreas; Dosch, Helmut

    2013-06-01

    Anomalous and nonanomalous surface X-ray diffraction is used to investigate the atomic structure and composition of the yttria-stabilized zirconia (YSZ)(111) surface. By simulation it is shown that the method is sensitive to Y surface segregation, but that the data must contain high enough Fourier components in order to distinguish between different models describing Y/Zr disorder. Data were collected at room temperature after two different annealing procedures. First by applying oxidative conditions at 10 - 5  mbar O 2 and 700 K to the as-received samples, where we find that about 30% of the surface is covered by oxide islands, which are depleted in Y as compared with the bulk. After annealing in ultrahigh vacuum at 1270 K the island morphology of the surface remains unchanged but the islands and the first near surface layer get significantly enriched in Y. Furthermore, the observation of Zr and oxygen vacancies implies the formation of a porous surface region. Our findings have important implications for the use of YSZ as solid oxide fuel cell electrode material where yttrium atoms and zirconium vacancies can act as reactive centers, as well as for the use of YSZ as substrate material for thin film and nanoparticle growth where defects control the nucleation process.

  13. Surface modelling on heavy atom crystalline compounds: HfO2 and UO2 fluorite structures

    International Nuclear Information System (INIS)

    Evarestov, Robert; Bandura, Andrei; Blokhin, Eugeny

    2009-01-01

    The study of the bulk and surface properties of cubic (fluorite structure) HfO 2 and UO 2 was performed using the hybrid Hartree-Fock density functional theory linear combination of atomic orbitals simulations via the CRYSTAL06 computer code. The Stuttgart small-core pseudopotentials and corresponding basis sets were used for the core-valence interactions. The influence of relativistic effects on the structure and properties of the systems was studied. It was found that surface properties of Mott-Hubbard dielectric UO 2 differ from those found for other metal oxides with the closed-shell configuration of d-electrons

  14. Porous Aluminum Oxide and Magnesium Oxide Films Using Organic Hydrogels as Structure Matrices

    Directory of Open Access Journals (Sweden)

    Zimei Chen

    2018-03-01

    Full Text Available We describe the synthesis of mesoporous Al2O3 and MgO layers on silicon wafer substrates by using poly(dimethylacrylamide hydrogels as porogenic matrices. Hydrogel films are prepared by spreading the polymer through spin-coating, followed by photo-cross-linking and anchoring to the substrate surface. The metal oxides are obtained by swelling the hydrogels in the respective metal nitrate solutions and subsequent thermal conversion. Combustion of the hydrogel results in mesoporous metal oxide layers with thicknesses in the μm range and high specific surface areas up to 558 m2∙g−1. Materials are characterized by SEM, FIB ablation, EDX, and Kr physisorption porosimetry.

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

    Energy Technology Data Exchange (ETDEWEB)

    Losurdo, Maria

    2004-05-01

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

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

    International Nuclear Information System (INIS)

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

    2011-01-01

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

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