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Sample records for closed structure pt

  1. Advanced welding for closed structure. Pt. 3 The thermal approach

    Energy Technology Data Exchange (ETDEWEB)

    Sacripanti, A.; Bonanno, G.; Paoloni, M.; Sagratella, G. [ENEA Centro Ricerche Casaccia, Rome (Italy). Dipt. Innovazione; Arborino, A.; Varesi, R.; Antonucci, A. [DUNE, (Italy)

    1999-07-01

    This report describes the activities developed for the European Contract BRITE AWCS III to study the use of thermal sensing techniques to obtain an accurate detection of the internal reinforcement of the closed steel structures employed in the shipbuilding industry. After a description of the methods, normally developed in Russia, about the techniques and problems, for the thermal testing of materials in the conventional approach, a new thermal detector was utilized, a new bolometric thermo camera is introduced with a special software for the on line image analysis, there are also shown the experimental tests and results. The obtained conclusion shows that the thermal non destructive testing techniques with the new detector should be useful to assemble a complete sensing system with one ultrasonic head. [Italian] Questo rapporto descrive le attivita' sperimentali sviluppate nell'ambito del contratto europeo BRITE AWCS III, in cui si sono utilizzate tecniche termiche per ottenere un preciso rilevamento dei rinforzi interni di strutture metalliche chiuse utilizzate nell'industria delle costruzioni navali. Dopo la descrizione dei metodi sviluppati essenzialmente in Russia, circa le tecniche e i problemi riguardanti il testing termico dei materiali, e' stato introdotto un approccio innovativo basato su un nuovo sensore: una termocamera bolometrica connessa con un software dedicato per l'analisi online del setto; vengono inoltre mostrati i risultati sperimentali ottenuti. Le conclusioni ottenute mostrano che nel nuovo approccio, il testing termico non distruttivo dovrebbe essere utile per assemblare un sistema sensoriale completo che utilizzi anche un sensore di tipo ultrasonico.

  2. Advanced welding for closed structure. Pt. 1 The magnetic approach

    Energy Technology Data Exchange (ETDEWEB)

    Sacripanti, A.; Paoloni, M.; Sagratella, G. [ENEA Centro Ricerche Casaccia, Rome (Italy). Dipt. Innovazione

    1999-07-01

    This report describes the activities developed for the European Contract BRITE AWCS III to study the use of magnetic sensing techniques to obtain an accurate detection of the internal reinforcement of the closed steel structures employed in the shipbuilding industry. After a description of the methods, techniques and problems for the magnetic testing of materials in the conventional approach, a new method was tried to obtain the wanted results. The obtained conclusion shows that the magnetic non destructive testing approach produce very small effects to measure, are too much sensible to the anisotropy of the magnetic properties of the steel plates and to the quality of the contact with the reinforcement. This system is not flexible enough to assemble a sensing for the goal of the BRITE AWCS III. [Italian] Questo rapporto descrive le attivita' sperimentali sviluppate nell'ambito del contratto europeo BRITE AWCS III, in cui si sono utilizzate tecniche magnetiche per ottenere un preciso rilevamento dei rinforzi interni di strutture metalliche chiuse utilizzate nell'industria delle costruzioni navali. Dopo la descrizione dei metodi, delle tecniche e dei problemi riguardanti il testing magnetico dei materiali, e' stato introdotto un approccio innovativo basato su elettromagneti costruiti ad hoc. Le conclusioni ottenute mostrano che nel nuovo approccio, il testing magnetico non distruttivo produce perturbazioni troppo piccole per essere correttamente apprezzate, risulta inoltre troppo legato alle anisotropie ed alla qualita' del contatto tra piatto e web ed infine esso appare poco flessibile per soddisfare le richieste tecniche del BRITE AWCS III.

  3. The Close Relationships between the Crystal Structures of MO and MSO 4 (M = Group 10, 11, or 12 Metal), and the Predicted Structures of AuO and PtSO 4

    KAUST Repository

    Derzsi, Mariana; Hermann, Andreas; Hoffmann, Roald; Grochala, Wojciech

    2013-01-01

    The structural relations of (and between) late transition metal monoxides, MO, and monosulfates, MSO4, are analyzed. We show that all of these late transition metal oxides, as well as 4d and 5d metal sulfates, crystallize in distorted rock salt lattices and argue that the distortions are driven by collective first- and/or second order Jahn-Teller effects. The collective Jahn-Teller deformations lead either to tetragonal contraction or (seldom) elongation of the rock salt lattice. On the basis of the rock salt representation of the oxides and sulfates, we show that PdO, CuO, and AgO are metrically related and that the 4d and 5d metal sulfates are close to isostructural with their oxides. These observations guide us towards as yet unknown AuO and PtSO4, for which we predict crystal structures from electronic structure calculations. The structural relations of (and between) late transition metal monoxides, MO, and monosulfates, MSO4, are analyzed. We show that all of these late transition metal oxides, as well as 4d and 5d metal sulfates, crystallize in distorted rock salt lattices and argue that the distortions are driven by collective first- and/or second order Jahn-Teller effects, as quantified by the c′/a′ ratio. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. The Close Relationships between the Crystal Structures of MO and MSO 4 (M = Group 10, 11, or 12 Metal), and the Predicted Structures of AuO and PtSO 4

    KAUST Repository

    Derzsi, Mariana

    2013-08-21

    The structural relations of (and between) late transition metal monoxides, MO, and monosulfates, MSO4, are analyzed. We show that all of these late transition metal oxides, as well as 4d and 5d metal sulfates, crystallize in distorted rock salt lattices and argue that the distortions are driven by collective first- and/or second order Jahn-Teller effects. The collective Jahn-Teller deformations lead either to tetragonal contraction or (seldom) elongation of the rock salt lattice. On the basis of the rock salt representation of the oxides and sulfates, we show that PdO, CuO, and AgO are metrically related and that the 4d and 5d metal sulfates are close to isostructural with their oxides. These observations guide us towards as yet unknown AuO and PtSO4, for which we predict crystal structures from electronic structure calculations. The structural relations of (and between) late transition metal monoxides, MO, and monosulfates, MSO4, are analyzed. We show that all of these late transition metal oxides, as well as 4d and 5d metal sulfates, crystallize in distorted rock salt lattices and argue that the distortions are driven by collective first- and/or second order Jahn-Teller effects, as quantified by the c′/a′ ratio. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Nuclear structure of 194Pt

    International Nuclear Information System (INIS)

    Cleveland, W.E.; Zganjar, E.F.

    1976-01-01

    The decay of 194 Ir has been thoroughly studied resulting in the construction of a decay scheme consisting of 26 excited states and 69 transitions. Nine new levels and 29 new transitions were added to the previously known scheme. Of these, levels at 1,893.6 and 2,053.0 keV as well as 9 γ-ray transitions are new to the 194 Pt level scheme. Precise γ-ray energy and intensity measurements as well as quantitative coincidence measurements were performed, and the internal conversion spectrum was investigated with a Si(Li) detector. Directional correlation measurements were performed for selected cascades with the major result being the unique assignment of 0 + to the new level at 1,893.6 keV. The structure was interpreted within the framework of the PPQ model as well as the effective-core picture including nuclear triaxiality. (orig.) [de

  6. Pt Skin Versus Pt Skeleton Structures of Pt3Sc as Electrocatalysts for Oxygen Reduction

    DEFF Research Database (Denmark)

    Johansson, Tobias Peter; Ulrikkeholm, Elisabeth Therese; Hernandez-Fernandez, Patricia

    2014-01-01

    . The development of new materials for this reaction is essential in order to increase the overall effeciency of the fuel cell. Herein, we study the effect of ultra high vacuum annealing on the structure and activity of polycrystalline Pt3Sc. Upon annealing in ultra high vacuum a Pt overlayer is formed......, relative to Pt(111), consistent with the CO adsorption energies calculated using density functional theory calculations. Exposing the annealed Pt3Sc sample to 200 mbar O2 at room temperature results in similar to 14 % Sc oxide as measured by X-ray photoelectron spectroscopy. Electrochemical testing...

  7. Atomic Structure Control of Silica Thin Films on Pt(111)

    KAUST Repository

    Crampton, Andrew S

    2015-05-27

    Metal oxide thin films grown on metal single crystals are commonly used to model heterogeneous catalyst supports. The structure and properties of thin silicon dioxide films grown on metal single crystals have only recently been thoroughly characterized and their spectral properties well established. We report the successful growth of a three- dimensional, vitreous silicon dioxide thin film on the Pt(111) surface and reproduce the closed bilayer structure previously reported. The confirmation of the three dimensional nature of the film is unequivocally shown by the infrared absorption band at 1252 cm−1. Temperature programmed desorption was used to show that this three-dimensional thin film covers the Pt(111) surface to such an extent that its application as a catalyst support for clusters/nanoparticles is possible. The growth of a three-dimensional film was seen to be directly correlated with the amount of oxygen present on the surface after the silicon evaporation process. This excess of oxygen is tentatively attributed to atomic oxygen being generated in the evaporator. The identification of atomic oxygen as a necessary building block for the formation of a three-dimensional thin film opens up new possibilities for thin film growth on metal supports, whereby simply changing the type of oxygen enables thin films with different atomic structures to be synthesized. This is a novel approach to tune the synthesis parameters of thin films to grow a specific structure and expands the options for modeling common amorphous silica supports under ultra high vacuum conditions.

  8. Supernova explosions in close binary systems. Pt. 2

    International Nuclear Information System (INIS)

    Sutantyo, W.

    1975-01-01

    The effects of a spherically symmetric explosion on the runaway velocity of a close binary system with an initial circular orbit is considered. It is shown that the runaway velocity is completely determined by the final orbital parameters regardless of the initial condition. The galactic z distribution of the known massive X-ray binaries indicates that the runaway velocities of these systems are very probably smaller than approximately 100 km/s with the most likely values of approximately 25-50 km/s. Such runaway velocities can be obtained if the post-explosion eccentricities are less than approximately 0.25. This then has the concequence that the mass of the exploded star which produced the neutron stars in the massive X-ray binaries can in most cases not have been larger than approximately 7-8 M(S) with the most likely values of approximately 3-4 M(S) if the supergiants in these systems have mass (M 2 ) of approximately 20 M(S). For Cyg X-1, the upper mass limit of the exploded star is found to be approximately 16 M(S). For M 2 = 30 M(S) these upper limit becomes approximately 9-10 M(S) and 19 M(S) respectively. (orig.) [de

  9. Tuning magnetic properties of non-collinear magnetization configuration in Pt/[Pt/Co]{sub 6}/Pt/Co/Pt multilayer structure

    Energy Technology Data Exchange (ETDEWEB)

    Kalaycı, Taner, E-mail: taner.kalayci@marmara.edu.tr [Department of Physics, Marmara University, 34722, Kadıköy, Istanbul (Turkey); Deger, Caner [Department of Physics, Marmara University, 34722, Kadıköy, Istanbul (Turkey); Akbulut, Salih [Department of Physics, Gebze Technical University, 41400, Gebze, Kocaeli (Turkey); Yildiz, Fikret, E-mail: fyildiz@gtu.edu.tr [Department of Physics, Gebze Technical University, 41400, Gebze, Kocaeli (Turkey)

    2017-08-15

    Highlights: • Effects of Pt spacer and reference layers thickness are investigated by MOKE and FMR. • Controlling of non-collinear states in multilayered thin film systems is studied. • Micromagnetic approach is used for modeling of magnetic multilayered structure. • Magnetic parameters are determined by a simulation based on metropolis algorithm. - Abstract: In this study, effects of Pt spacer and Co reference layers thickness in [Co/Pt]{sub 6}/Pt/Co multilayer have been revealed to tailor magnetization directions in non-collinear configuration. Magneto-optic Kerr effect and ferromagnetic resonance techniques were employed to investigate magnetic properties. Bilinear coupling between [Co/Pt]{sub 6} and Co layers and anisotropy constants were determined by a micromagnetic simulation based on metropolis algorithm. 3 nm spacer causes ferromagnetic coupling while the samples have 4 and 5 nm spacer are coupled anti-ferromagneticaly. Also, tuning magnetic anisotropy of [Co/Pt]{sub 6} layer was accomplished by Co reference layer. It is revealed that controlling of non-collinear states in such systems is possible by variation of thickness of spacer and reference layers and [Co/Pt]{sub 6}/t{sub Pt}/t{sub Co} trilayer system can be used in multilayered magnetic systems.

  10. Multifunctional Pt(II) Reagents: Covalent Modifications of Pt Complexes Enable Diverse Structural Variation and In-Cell Detection.

    Science.gov (United States)

    White, Jonathan D; Haley, Michael M; DeRose, Victoria J

    2016-01-19

    Pt(II)-neutral complex analogous in structure to the aforementioned difunctional azide-Pt(II) reagent. In all cases, significant accumulation of Pt in the nucleolus of cells was observed, in addition to broader localization in the nucleus and cytoplasm of the cell. Using the same strategy of postbinding click modification with fluorescent probes, Pt adducts were detected and roughly quantified on rRNA and tRNA from Pt-treated Saccharomyces cerevisiae; rRNA adducts were found to be relatively long-lived and not targeted for immediate degradation. Finally, the utility and feasibility of the alkyne-appended Pt(II) compound has been further demonstrated with a turn-on fluorophore, dansyl azide, in fluorescent detection of DNA in vitro. In all, these modifications utilizing reactive handles have allowed for the diversification of new Pt reagents, as well as providing cellular localization information on the modified Pt compounds.

  11. Nanocrystalline Fe-Pt alloys. Phase transformations, structure and magnetism

    Energy Technology Data Exchange (ETDEWEB)

    Lyubina, J.V.

    2006-12-21

    This work has been devoted to the study of phase transformations involving chemical ordering and magnetic properties evolution in bulk Fe-Pt alloys composed of nanometersized grains. Nanocrystalline Fe{sub 100-x}Pt{sub x} (x=40-60) alloys have been prepared by mechanical ball milling of elemental Fe and Pt powders at liquid nitrogen temperature. The as-milled Fe-Pt alloys consist of {proportional_to} 100 {mu}m sized particles constituted by randomly oriented grains having an average size in the range of 10-40 nm. Depending on the milling time, three major microstructure types have been obtained: samples with a multilayer-type structure of Fe and Pt with a thickness of 20-300 nm and a very thin (several nanometers) A1 layer at their interfaces (2 h milled), an intermediate structure, consisting of finer lamellae of Fe and Pt (below approximately 100 nm) with the A1 layer thickness reaching several tens of nanometers (4 h milled) and alloys containing a homogeneous A1 phase (7 h milled). Subsequent heat treatment at elevated temperatures is required for the formation of the L1{sub 0} FePt phase. The ordering develops via so-called combined solid state reactions. It is accompanied by grain growth and thermally assisted removal of defects introduced by milling and proceeds rapidly at moderate temperatures by nucleation and growth of the ordered phases with a high degree of the long-range order. In a two-particle interaction model elaborated in the present work, the existence of hysteresis in recoil loops has been shown to arise from insufficient coupling between the low- and the high-anisotropy particles. The model reveals the main features of magnetisation reversal processes observed experimentally in exchange-coupled systems. Neutron diffraction has been used for the investigation of the magnetic structure of ordered and partially ordered nanocrystalline Fe-Pt alloys. (orig.)

  12. 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.

  13. The electronic structure of ordered binary Co-Pt compounds

    NARCIS (Netherlands)

    Kootte, A.; Haas, C.; Groot, R.A. de

    1991-01-01

    In this article we present the results of spin-polarized band-structure calculations on the ordered binary compounds of Co-Pt. Comparison is made with experimental values for the magnetic moments. The results of our calculations show a non-local magnetic moment behaviour in these systems.

  14. Development and structural characterization of exchange-spring-like nanomagnets in (Fe,Co)-Pt bulk nanocrystalline alloys

    Energy Technology Data Exchange (ETDEWEB)

    Crisan, O.; Crisan, A.D.; Mercioniu, I. [National Institute for Materials Physics, P.O. Box MG-7, 077125 Magurele, Bucharest (Romania); Nicula, R. [Empa, Swiss Federal Laboratories for Materials Science and Technology, Advanced Materials Processing, Feuerwerkerstr. 39, CH-3602 Thun (Switzerland); Vasiliu, F., E-mail: fvasiliu@infim.ro [National Institute for Materials Physics, P.O. Box MG-7, 077125 Magurele, Bucharest (Romania)

    2016-03-01

    FePt-based alloys are currently under scrutiny for their possible use as materials for perpendicular magnetic recording. Another possible application is in the field of permanent magnets without rare-earths, magnets that may operate at higher temperatures than the classic Nd–Fe–B magnets. Within this study, FeCoPt alloys prepared by rapid solidification from the melt are structurally and magnetically characterized. In the as-cast FeCoPt ribbons, a three-phase structure comprising well-ordered CoFePt and CoPt L1{sub 0} phases embedded in a disordered fcc FePt matrix was evidenced by XRD, HREM and SAED. Extended transmission electron microscopy analysis demonstrates the incipient formation of ordered L1{sub 0} phases. X-ray diffraction was used to characterize the phase structure and to obtain the structural parameters of interest for L1{sub 0} ordering. In the as-cast state, the co-existence of hard magnetic CoFePt and CoPt L1{sub 0} tetragonal phases with the soft fcc FePt phase is obtained within a refined microstructure made of alternatively disposed grains (grain sizes from 1 to 7 nm). Following a thermal treatment of 1 h at 670 °C, the soft magnetic fcc matrix phase transforms to tetragonal L1{sub 0} phases (disorder–order transition). The resulting CoPt and CoFePt L1{sub 0} phases have grains of around 5–20 nm in size. In the as-cast state, magnetic measurements show a quite large remanence (0.75 T), close to the value of the parent L1{sub 0} FePt phase. Coercive fields of about 200 kA/m at 5 K were obtained, comparable with those reported for some FePt-based bulk alloys. Upon annealing both remanence and coercivity are increased and values of up to 254 kA/m at 300 K are obtained. The polycrystalline structure of the annealed FeCoPt samples, as well as the formation of multiple c-axis domains in different CoPt and CoFePt regions (which leads to a reduction of the magneto-crystalline anisotropy) may account for the observed coercive fields that are

  15. Homometrism in close-packed structures

    International Nuclear Information System (INIS)

    Mardix, S.

    1990-01-01

    Homometric structures are non-congruent structures having identical X-ray intensity distributions. It has so far been assumed that such structures, while theoretically interesting, would not be realized in practice. Homometrism in close-packed structures is shown to be a realistic possibility. Some general rules applicable to homometric pairs are presented; it is shown that an infinite number of them can be derived from one-dimensional homometric pairs. An exhaustive search of close-packed structures with periods of up to 26 reveals that the smallest period of a homometric pair is 15 and that their number increases rapidly with the period. Homometrism in polytypic structures is further discussed. (orig.)

  16. Electronic structure of ordered and disordered Fe sub 3 Pt

    CERN Document Server

    Major, Z; Jarlborg, T; Bruno, E; Ginatempo, B; Staunton, J B; Poulter, J

    2003-01-01

    The electronic structure of invar alloys (i.e. materials in which the near absence of thermal expansion is observed) has been the focus of much study, owing both to the technological applications of these materials and interest in the fundamental mechanism that is responsible for the effect. Here, calculations of the magnetic Compton profiles are presented for ordered and disordered Fe sub 3 Pt alloys. Using linear muffin-tin orbital and KKR methods, the latter incorporating the coherent potential approximation to describe the substitutional disorder, the electronic band structure and measurable quantities such as the Fermi surface topology are presented.

  17. Growth, structure and magnetic properties of magnetron sputtered FePt thin films

    Energy Technology Data Exchange (ETDEWEB)

    Cantelli, Valentina

    2010-07-01

    The L1{sub 0} FePt phase belongs to the most promising hard ferromagnetic materials for high density recording media. The main challenges for thin FePt films are: (i) to lower the process temperature for the transition from the soft magnetic A1 to the hard magnetic L1{sub 0} phase, (ii) to realize c-axes preferential oriented layers independently from the substrate nature and (iii) to control layer morphology supporting the formation of FePt-L1{sub 0} selforganized isolated nanoislands towards an increase of the signal-to-noise ratio. In this study, dc magnetron sputtered FePt thin films on amorphous substrates were investigated. The work is focused on the correlation between structural and magnetic properties with respect to the influence of deposition parameters like growth mode (cosputtering vs. layer - by - layer) and the variation of the deposition gas (Ar, Xe) or pressure (0.3-3 Pa). In low-pressure Ar discharges, high energetic particle impacts support vacancies formation during layer growth lowering the phase transition temperature to (320{+-}20) C. By reducing the particle kinetic energy in Xe discharges, highly (001) preferential oriented L1{sub 0}-FePt films were obtained on a-SiO{sub 2} after vacuum annealing. L1{sub 0}-FePt nano-island formation was supported by the introduction of an Ag matrix, or by random ballistic aggregation and atomic self shadowing realized by FePt depositions at very high pressure (3 Pa). The high coercivity (1.5 T) of granular, magnetic isotropic FePt layers, deposited in Ar discharges, was measured with SQUID magnetometer hysteresis loops. For non-granular films with (001) preferential orientation the coercivity decreased (0.6 T) together with an enhancement of the out-of- plane anisotropy. Nanoislands show a coercive field close to the values obtained for granular layers but exhibit an in-plane easy axis due to shape anisotropy effects. An extensive study with different synchrotron X-ray scattering techniques, mainly

  18. H2O on Pt(111): structure and stability of the first wetting layer

    International Nuclear Information System (INIS)

    Standop, Sebastian; Michely, Thomas; Busse, Carsten; Morgenstern, Markus

    2012-01-01

    We study the structure and stability of the first water layer on Pt(111) by variable-temperature scanning tunneling microscopy. We find that a high Pt step edge density considerably increases the long-range order of the equilibrium √(37)×√(37)R25.3°- and √(39)×√(39)R16.1°-superstructures, presumably due to the capability of step edges to trap residual adsorbates from the surface. Passivating the step edges with CO or preparing a flat metal surface leads to the formation of disordered structures, which still show the same structural elements as the ordered ones. Coadsorption of Xe and CO proves that the water layer covers the metal surface completely. Moreover, we determine the two-dimensional crystal structure of Xe on top of the chemisorbed water layer which exhibits an Xe-Xe distance close to the one in bulk Xe and a rotation angle of 90° between the close-packed directions of Xe and the close-packed directions of the underlying water layer. CO is shown to replace H 2 O on the Pt(111) surface as has been deduced previously. In addition, we demonstrate that tunneling of electrons into the antibonding state or from the bonding state of H 2 O leads to dissociation of the molecules and a corresponding reordering of the adlayer into a √3×√3R30°-structure. Finally, a so far not understood restructuring of the adlayer by an increased tunneling current has been observed. (paper)

  19. Structural properties of Pt/TiO{sub 2}/Pt heterostructure grown on sapphire substrate—Influence of annealing processes

    Energy Technology Data Exchange (ETDEWEB)

    Roch, Tomas, E-mail: roch@fmph.uniba.sk; Durina, Pavol; Grancic, Branislav; Gregor, Maros; Plecenik, Tomas; Truchly, Martin; Mikula, Marian; Satrapinskyy, Leonid; Kus, Peter; Plecenik, Andrej

    2014-09-01

    Highlights: • Pt/TiO{sub 2}/Pt, Pt/TiO{sub 2} and TiO{sub 2}/Pt stacks were grown on (c-cut) Al{sub 2}O{sub 3} and annealed at 600 °C. • Pt/TiO{sub 2}/Pt contains both TiO{sub 2}-anatase (27%) and rutile (73%) phases after annealing. • Pt/TiO{sub 2} contains both anatase and rutile, TiO{sub 2}/Pt anatase phase only. • Epitaxial relationship of bottom platinum: Pt(1 1 1)[1–10]||sub(0 0 0 1)[11{sup ¯}00]. • Platinum top layer is uniaxially oriented: Pt(1 1 1)||sub(0 0 0 1). - Abstract: Simple gas sensors based on resistivity change of TiO{sub 2} thin films using combined top and bottom metallic contacts are very promising. In this work influence of ex situ annealing in ambient air on structure of TiO{sub 2} thin film stacked between two platinum contact layers has been studied. The layers were deposited using DC magnetron sputtering on unheated c-cut sapphire substrates. For lowering of the Schottky barrier at the Pt–TiO{sub 2} interfaces and for improved crystalline stability, ex situ annealing at 600 °C in air was carried out. In order to study separately influence of top and bottom platinum layers on crystal structure, also reference samples Pt/TiO{sub 2}/Al{sub 2}O{sub 3} and TiO{sub 2}/Pt/Al{sub 2}O{sub 3} have been prepared. Non-ambient X-ray diffraction measurement during annealing process and X-ray pole figures after annealing has been measured. Near epitaxial relationship was observed for bottom Pt layer grown on c-cut sapphire substrate: Pt(1 1 1)[11{sup ¯}0]||Al{sub 2}O{sub 3}(0 0 0 1)[11{sup ¯}00]. Inner titania layer shows randomly oriented both TiO{sub 2}-rutile (R) and anatase (A) phases with the volumetric ratio of R/A ∼ 2.7. If prepared without top Pt contact layer, the TiO{sub 2} transforms during annealing to random single anatase phase. The TiO{sub 2} layer overgrown with only single Pt top contact layer shows randomly oriented both rutile and anatase phases with volumetric ratio R/A ∼ 2.3. The top Pt layer on TiO{sub 2

  20. Structure and chemical composition of supported Pt-Sn electrocatalysts for ethanol oxidation

    International Nuclear Information System (INIS)

    Jiang Luhua; Sun Gongquan; Sun Shiguo; Liu Jianguo; Tang Shuihua; Li Huanqiao; Zhou Bing; Xin Qin

    2005-01-01

    Carbon supported PtSn alloy and PtSnO x particles with nominal Pt:Sn ratios of 3:1 were prepared by a modified polyol method. High resolution transmission electron microscopy (HRTEM) and X-ray microchemical analysis were used to characterize the composition, size, distribution, and morphology of PtSn particles. The particles are predominantly single nanocrystals with diameters in the order of 2.0-3.0 nm. According to the XRD results, the lattice constant of Pt in the PtSn alloy is dilated due to Sn atoms penetrating into the Pt crystalline lattice. While for PtSnO x nanoparticles, the lattice constant of Pt only changed a little. HRTEM micrograph of PtSnO x clearly shows that the change of the spacing of Pt (1 1 1) plane is neglectable, meanwhile, SnO 2 nanoparticles, characterized with the nominal 0.264 nm spacing of SnO 2 (1 0 1) plane, were found in the vicinity of Pt particles. In contrast, the HRTEM micrograph of PtSn alloy shows that the spacing of Pt (1 1 1) plane extends to 0.234 nm from the original 0.226 nm. High resolution energy dispersive X-ray spectroscopy (HR-EDS) analyses show that all investigated particles in the two PtSn catalysts represent uniform Pt/Sn compositions very close to the nominal one. Cyclic voltammograms (CV) in sulfuric acid show that the hydrogen ad/desorption was inhibited on the surface of PtSn alloy compared to that on the surface of the PtSnO x catalyst. PtSnO x catalyst showed higher catalytic activity for ethanol electro-oxidation than PtSn alloy from the results of chronoamperometry (CA) analysis and the performance of direct ethanol fuel cells (DEFCs). It is deduced that the unchanged lattice parameter of Pt in the PtSnO x catalyst is favorable to ethanol adsorption and meanwhile, tin oxide in the vicinity of Pt nanoparticles could offer oxygen species conveniently to remove the CO-like species of ethanolic residues to free Pt active sites

  1. Effects of Cr underlayer and Pt buffer layer on the interfacial structure and magnetic characteristics of sputtered FePt films

    International Nuclear Information System (INIS)

    Sun, A.-C.; Hsu, J.-H.; Huang, H.L.; Kuo, P.C.

    2006-01-01

    This work develops a new method for growing L1 0 FePt(0 0 1) thin film on a Pt/Cr bilayer using an amorphous glass substrate. Semi-coherent epitaxial growth was initiated from the Cr(0 0 2) underlayer, continued through the Pt(0 0 1) buffer layer, and extended into the L1 0 FePt(0 0 1) magnetic layer. The squareness of the L1 0 FePt film in the presence of both a Cr underlayer and a Pt buffer layer was close to unity as the magnetic field was applied perpendicular to the film plane. The single L1 0 FePt(1 1 1) orientation was observed in the absence of a Cr underlayer. When a Cr underlayer is inserted, the preferred orientation switched from L1 0 FePt(1 1 1) to L1 0 FePt(0 0 1) and the magnetic film exhibited perpendicular magnetic anisotropy. However, in the absence of an Pt intermediate layer, the Cr atoms diffused directly into the FePt magnetic layer and prevented the formation of the L1 0 FePt(0 0 1) preferred orientation. When a Pt buffer layer was introduced between the FePt and Cr underlayer, the L1 0 FePt(0 0 1) peak appeared. The thickness of the Pt buffer layer also substantially affected the magnetic properties and atomic arrangement at the FePt/Pt and Pt/Cr interfaces

  2. Engineering Pt/Pd Interfacial Electronic Structures for Highly Efficient Hydrogen Evolution and Alcohol Oxidation.

    Science.gov (United States)

    Fan, Jinchang; Qi, Kun; Zhang, Lei; Zhang, Haiyan; Yu, Shansheng; Cui, Xiaoqiang

    2017-05-31

    Tailoring the interfacial structure of Pt-based catalysts has emerged as an effective strategy to improve catalytic activity. However, little attention has been focused on investigating the relationship between the interfacial facets and their catalytic activity. Here, we design and implement Pd-Pt interfaces with controlled heterostructure features by epitaxially growing Pt nanoparticles on Pd nanosheets. On the basis of both density functional theory calculation and experimental results, we demonstrate that charge transfer from Pd to Pt is highly dependent on the interfacial facets of Pd substrates. Therefore, the Pd-Pt heterostructure with Pd(100)-Pt interface exhibits excellent activity and long-term stability for hydrogen evolution and methanol/ethanol oxidation reactions in alkaline medium, much better than that with Pd (111)-Pt interface or commercial Pt/C. Interfacial crystal facet-dependent electronic structural modulation sheds a light on the design and investigation of new heterostructures for high-activity catalysts.

  3. Structure of the cobalt-filled missing-row reconstruction of Pt(110)

    International Nuclear Information System (INIS)

    Klein, C.; Koller, R.; Schmid, M.; Varga, P.; Lundgren, E.; Maca, F.; Redinger, J.

    2004-01-01

    The atomic structure of 0.5 monolayer (ML) Co deposited on Pt(110) was investigated by quantitative low-energy electron diffraction and ab initio density functional theory calculations, showing a pronounced inward relaxation and a filling of the missing-row sites of the Pt(110) substrate by Co atoms. Up to this Co coverage no significant intermixing of Pt atoms with Co atoms was observed by scanning tunneling microscopy, resulting in an alternating arrangement of pure Co and Pt rows

  4. Electronic structure, thermodynamic properties and hydrogenation of LaPtIn and CePtIn compounds by ab-initio methods

    International Nuclear Information System (INIS)

    Jezierski, Andrzej; Szytuła, Andrzej

    2016-01-01

    The electronic structures and thermodynamic properties of LaPtIn and CePtIn are studied by means of ab-initio full-relativistic full-potential local orbital basis (FPLO) method within densities functional (DFT) methodologies. We have also examined the influence of hydrogen on the electronic structure and stability of CePtInH and LaPtInH systems. The positions of the hydrogen atoms have been found from the minimum of the total energy. Our calculations have shown that band structure and topology of the Fermi surfaces changed significantly during the hydrogenation. The thermodynamic properties (bulk modulus, Debye temperatures, constant pressure heat capacity) calculated in quasi-harmonic Debye-Grüneisen model are in a good agreement with the experimental data. We have applied different methods of the calculation of the equation of states (EOS) (Murnaghan, Birch-Murnaghan, Poirier–Tarantola, Vinet). The thermodynamic properties are presented for the pressure 0< P<9 GPa and the temperature range 0< T<300 K. - Highlights: • Full relativistic band structure of LaPtIn and CePtIn. • Fermi surface of LaPtIn, LaPtInH, CePtIn, CePtInH. • Effect of hydrogenation on the electronic structure of LaPtIn and CePtIn. • Thermodynamic properties in the quasi-harmonic Debye-Grüneisen model.

  5. Interface-induced spin Hall magnetoresistance enhancement in Pt-based tri-layer structure.

    Science.gov (United States)

    Huang, Shun-Yu; Li, Hong-Lin; Chong, Cheong-Wei; Chang, Yu-Ying; Lee, Min-Kai; Huang, Jung-Chun-Andrew

    2018-01-08

    In this study, we integrated bilayer structure of covered Pt on nickel zinc ferrite (NZFO) and CoFe/Pt/NZFO tri-layer structure by pulsed laser deposition system for a spin Hall magnetoresistance (SMR) study. In the bilayer structure, the angular-dependent magnetoresistance (MR) results indicate that Pt/NZFO has a well-defined SMR behavior. Moreover, the spin Hall angle and the spin diffusion length, which were 0.0648 and 1.31 nm, respectively, can be fitted by changing the Pt thickness in the longitudinal SMR function. Particularly, the MR ratio of the bilayer structure (Pt/NZFO) has the highest changing ratio (about 0.135%), compared to the prototype structure Pt/Y 3 Fe 5 O 12 (YIG) because the NZFO has higher magnetization. Meanwhile, the tri-layer samples (CoFe/Pt/NZFO) indicate that the MR behavior is related with CoFe thickness as revealed in angular-dependent MR measurement. Additionally, comparison between the tri-layer structure with Pt/NZFO and CoFe/Pt bilayer systems suggests that the SMR ratio can be enhanced by more than 70%, indicating that additional spin current should be injected into Pt layer.

  6. Challenges in bimetallic multilayer structure formation: Pt growth on Cu monolayers on Ru(0001)

    DEFF Research Database (Denmark)

    Mancera, Luis A.; Engstfeld, Albert Kilian; Bensch, Andreas

    2017-01-01

    In a joint experimental and theoretical study, we investigated the formation and morphology of PtCu/Ru(0001) bimetallic surfaces grown at room and higher temperatures under UHV conditions. We obtained the PtCu/Ru(0001) surfaces by deposition of Pt atoms on a previously created Cu/Ru(0001) structure...... which includes only one Cu monolayer. Bimetallic surfaces prepared at different Pt coverages are investigated using STM imaging, revealing the existence of reconstruction lines and Cu islands. Although primarily created Cu islands continue growing in size by increasing Pt coverage, a continuous...

  7. Particle swarm optimization of the stable structure of tetrahexahedral Pt-based bimetallic nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Tun-Dong; Fan, Tian-E [Center for Cloud Computing and Big Data, Department of Automation, Xiamen University, Xiamen 361005 (China); Shao, Gui-Fang, E-mail: gfshao@xmu.edu.cn [Center for Cloud Computing and Big Data, Department of Automation, Xiamen University, Xiamen 361005 (China); Zheng, Ji-Wen [Center for Cloud Computing and Big Data, Department of Automation, Xiamen University, Xiamen 361005 (China); Wen, Yu-Hua [Institute of Theoretical Physics and Astrophysics, Department of Physics, Xiamen University, Xiamen 361005 (China)

    2014-08-14

    Bimetallic nanoparticles, enclosed by high-index facets, have great catalytic activity and selectivity owing to the synergy effects of high-index facets and the electronic structures of alloy. In this paper, a discrete particle swarm optimization algorithm was employed to systematically investigate the structural stability and features of tetrahexahedral Pt-based bimetallic nanoparticles with high-index facets. Different Pt/Ag, Pt/Cu, Pt/Pd atom ratios and particle sizes were considered in this work. The simulation results reveal that these alloy nanoparticles exhibit considerably different structural characteristics. Pt–Ag nanoparticles tend to form Pt–Ag core–shell structure. Pt–Cu nanoparticles are preferred to take multi-shell structure with Cu on the outer surface while Pt–Pd nanoparticles present a mixing structure in the interior and Pd-dominated surface. Atomic distribution and bonding characteristics were applied to further characterize the structural features of Pt-based nanoparticles. This study provides an important insight into the structural stability and features of Pt-based nanoparticles with different alloys. - Highlights: • We explore the structural stability of Pt-based alloy NPs by a discrete PSO. • Our study discovers the different structural characteristics for Pt-based NPs. • Alloy composition and size have important effects on the surface segregation. • Our work shows strong phase separation for Pt–Ag NPs while weak for Pt–Pd NPs.

  8. Particle swarm optimization of the stable structure of tetrahexahedral Pt-based bimetallic nanoparticles

    International Nuclear Information System (INIS)

    Liu, Tun-Dong; Fan, Tian-E; Shao, Gui-Fang; Zheng, Ji-Wen; Wen, Yu-Hua

    2014-01-01

    Bimetallic nanoparticles, enclosed by high-index facets, have great catalytic activity and selectivity owing to the synergy effects of high-index facets and the electronic structures of alloy. In this paper, a discrete particle swarm optimization algorithm was employed to systematically investigate the structural stability and features of tetrahexahedral Pt-based bimetallic nanoparticles with high-index facets. Different Pt/Ag, Pt/Cu, Pt/Pd atom ratios and particle sizes were considered in this work. The simulation results reveal that these alloy nanoparticles exhibit considerably different structural characteristics. Pt–Ag nanoparticles tend to form Pt–Ag core–shell structure. Pt–Cu nanoparticles are preferred to take multi-shell structure with Cu on the outer surface while Pt–Pd nanoparticles present a mixing structure in the interior and Pd-dominated surface. Atomic distribution and bonding characteristics were applied to further characterize the structural features of Pt-based nanoparticles. This study provides an important insight into the structural stability and features of Pt-based nanoparticles with different alloys. - Highlights: • We explore the structural stability of Pt-based alloy NPs by a discrete PSO. • Our study discovers the different structural characteristics for Pt-based NPs. • Alloy composition and size have important effects on the surface segregation. • Our work shows strong phase separation for Pt–Ag NPs while weak for Pt–Pd NPs

  9. Theoretical simulations of the structural stabilities, elastic, thermodynamic and electronic properties of Pt3Sc and Pt3Y compounds

    Science.gov (United States)

    Boulechfar, R.; Khenioui, Y.; Drablia, S.; Meradji, H.; Abu-Jafar, M.; Omran, S. Bin; Khenata, R.; Ghemid, S.

    2018-05-01

    Ab-initio calculations based on density functional theory have been performed to study the structural, electronic, thermodynamic and mechanical properties of intermetallic compounds Pt3Sc and Pt3Y using the full-potential linearized augmented plane wave(FP-LAPW) method. The total energy calculations performed for L12, D022 and D024 structures confirm the experimental phase stability. Using the generalized gradient approximation (GGA), the values of enthalpies formation are -1.23 eV/atom and -1.18 eV/atom for Pt3Sc and Pt3Y, respectively. The densities of states (DOS) spectra show the existence of a pseudo-gap at the Fermi level for both compounds which indicate the strong spd hybridization and directing covalent bonding. Furthermore, the density of states at the Fermi level N(EF), the electronic specific heat coefficient (γele) and the number of bonding electrons per atom are predicted in addition to the elastic constants (C11, C12 and C44). The shear modulus (GH), Young's modulus (E), Poisson's ratio (ν), anisotropy factor (A), ratio of B/GH and Cauchy pressure (C12-C44) are also estimated. These parameters show that the Pt3Sc and Pt3Y are ductile compounds. The thermodynamic properties were calculated using the quasi-harmonic Debye model to account for their lattice vibrations. In addition, the influence of the temperature and pressure was analyzed on the heat capacities (Cp and Cv), thermal expansion coefficient (α), Debye temperature (θD) and Grüneisen parameter (γ).

  10. PtxGd alloy formation on Pt(111): Preparation and structural characterization

    DEFF Research Database (Denmark)

    Ulrikkeholm, Elisabeth Therese; Pedersen, Anders Filsøe; Vej-Hansen, Ulrik Grønbjerg

    2016-01-01

    (ring operator)C. The LEED and synchrotron XRD experiments have shown that a slightly compressed (2 ×2) alloy appear. The alloy film followed the orientation of the Pt(111) substrate half the time, otherwise it was rotated by 30(ring operator). The TPD spectra show a well-defined peak shifted down 200...

  11. Layer-by-layer evolution of structure, strain, and activity for the oxygen evolution reaction in graphene-templated Pt monolayers.

    Science.gov (United States)

    Abdelhafiz, Ali; Vitale, Adam; Joiner, Corey; Vogel, Eric; Alamgir, Faisal M

    2015-03-25

    In this study, we explore the dimensional aspect of structure-driven surface properties of metal monolayers grown on a graphene/Au template. Here, surface limited redox replacement (SLRR) is used to provide precise layer-by-layer growth of Pt monolayers on graphene. We find that after a few iterations of SLRR, fully wetted 4-5 monolayer Pt films can be grown on graphene. Incorporating graphene at the Pt-Au interface modifies the growth mechanism, charge transfers, equilibrium interatomic distances, and associated strain of the synthesized Pt monolayers. We find that a single layer of sandwiched graphene is able to induce a 3.5% compressive strain on the Pt adlayer grown on it, and as a result, catalytic activity is increased due to a greater areal density of the Pt layers beyond face-centered-cubic close packing. At the same time, the sandwiched graphene does not obstruct vicinity effects of near-surface electron exchange between the substrate Au and adlayers Pt. X-ray photoelectron spectroscopy (XPS) and extended X-ray absorption fine structure (EXAFS) techniques are used to examine charge mediation across the Pt-graphene-Au junction and the local atomic arrangement as a function of the Pt adlayer dimension. Cyclic voltammetry (CV) and the oxygen reduction reaction (ORR) are used as probes to examine the electrochemically active area of Pt monolayers and catalyst activity, respectively. Results show that the inserted graphene monolayer results in increased activity for the Pt due to a graphene-induced compressive strain, as well as a higher resistance against loss of the catalytically active Pt surface.

  12. Electronic structures of PtCu, PtAg, and PtAu molecules: a Dirac four-component relativistic study

    International Nuclear Information System (INIS)

    Abe, Minori; Mori, Sayaka; Nakajima, Takahito; Hirao, Kimihiko

    2005-01-01

    Relativistic four-component calculations at several correlated levels have been performed for diatomic PtCu, PtAg, and PtAu molecules. The ground state spectroscopic constants of PtCu were calculated using the four-component MP2 method, and show good agreement with experiment. We also performed calculations on the experimentally unknown species, PtAg and PtAu, and the mono-cationic systems, PtCu + , PtAg + , and PtAu + . The low-lying excited states of these diatomic molecules were also investigated using the four-component multi-reference CI method

  13. The Electronic Band Structure of Platinum Oxide (PtO) | Omehe ...

    African Journals Online (AJOL)

    We have performed the electronic band structure of the bulk and monolayer of PtO using the full potential linear muffin-tin orbital and the projector augmented wave method with the density functional theory. We applied the LDA and LDA+U scheme to both methods. It was found out that the LDA calculation of bulk PtO ...

  14. Synthesis of ultrathin face-centered-cubic Au@Pt and Au@Pd core-shell nanoplates from hexagonal-close-packed Au square sheets

    KAUST Repository

    Fan, Zhanxi

    2015-03-17

    The synthesis of ultrathin face-centered-cubic (fcc) Au@Pt rhombic nanoplates is reported through the epitaxial growth of Pt on hexagonal-close-packed (hcp) Au square sheets (AuSSs). The Pt-layer growth results in a hcp-to-fcc phase transformation of the AuSSs under ambient conditions. Interestingly, the obtained fcc Au@Pt rhombic nanoplates demonstrate a unique (101)f orientation with the same atomic arrangement extending from the Au core to the Pt shell. Importantly, this method can be extended to the epitaxial growth of Pd on hcp AuSSs, resulting in the unprecedented formation of fcc Au@Pd rhombic nanoplates with (101)f orientation. Additionally, a small amount of fcc (100)f-oriented Au@Pt and Au@Pd square nanoplates are obtained with the Au@Pt and Au@Pd rhombic nanoplates, respectively. We believe that these findings will shed new light on the synthesis of novel noble bimetallic nanostructures. Phase change: Ultrathin Au@Pt and Au@Pd core-shell nanoplates were prepared from Au square sheets. A phase transformation from hexagonal close-packed (hcp) to face-centered cubic (fcc) is observed upon coating the hcp Au square sheets with Pt or Pd under ambient conditions. The prepared fcc Au@Pt and Au@Pd rhombic nanoplates demonstrate unique (101)f orientation (picture shows a typical fcc Au@Pt rhombic nanoplate). © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Continuous quantum mechanics of single particles in closed and quasi-closed systems: Pt. 1 and 2

    International Nuclear Information System (INIS)

    Brieger, M.

    2004-01-01

    The established statistical interpretation of quantum mechanics never envisioned our today's ability to handle and investigate single particles in trap devices. After scrutinizing the development of quantum mechanics, we point out that Schroedinger's equation establishes an energy representation, which obtains the energy eigenvalues as extrema of the energy curve or on the energy hypersurface, respectively. We also strongly emphasize its never exhausted capability of accounting in classical terms and full detail for the dynamics of single particles in closed systems. This is demonstrated for several familiar examples. They show that the eigensolutions to Schroedinger's equation must not blindly be identified with physically stationary states. The gained insight into the true dynamics allows to describe, without involving QED, the time evolution of a complete spontaneous transition as being driven by unbalanced internal dynamics. This mechanism relies on the fact that perfect balances are only possible in the exact extrema of the total energy and that any deviation, which is characterized by nonstationary states, makes multipole moments oscillate and emit electromagnetic radiation. (orig.)

  16. Continuous quantum mechanics of single particles in closed and quasi-closed systems: Pt. 1 and 2

    Energy Technology Data Exchange (ETDEWEB)

    Brieger, M. [DLR Deutsches Zentrum fuer Luft- und Raumfahrt e.V., Stuttgart (Germany). Inst. fuer Technische Physik

    2004-07-01

    The established statistical interpretation of quantum mechanics never envisioned our today's ability to handle and investigate single particles in trap devices. After scrutinizing the development of quantum mechanics, we point out that Schroedinger's equation establishes an energy representation, which obtains the energy eigenvalues as extrema of the energy curve or on the energy hypersurface, respectively. We also strongly emphasize its never exhausted capability of accounting in classical terms and full detail for the dynamics of single particles in closed systems. This is demonstrated for several familiar examples. They show that the eigensolutions to Schroedinger's equation must not blindly be identified with physically stationary states. The gained insight into the true dynamics allows to describe, without involving QED, the time evolution of a complete spontaneous transition as being driven by unbalanced internal dynamics. This mechanism relies on the fact that perfect balances are only possible in the exact extrema of the total energy and that any deviation, which is characterized by nonstationary states, makes multipole moments oscillate and emit electromagnetic radiation. (orig.)

  17. Structural and magnetic properties of ion-beam bombarded Co/Pt multilayers

    Energy Technology Data Exchange (ETDEWEB)

    Lin, K.W.; Guo, J.Y.; Lin, S.R.; Ouyang, H. [Department of Materials Science and Engineering, National Chung Hsing University, Taichung 402 (China); Tsai, C.J. [Department of Materials Science and Engineering, National Tsing Hua University, Hsinchu 300 (China); Van Lierop, J. [Department of Physics and Astronomy, University of Manitoba, Winnipeg (Canada); Phuoc, N.N.; Suzuki, T. [Information Storage Materials Laboratory, Toyota Technological Institute, Nagoya 468-8511 (Japan)

    2007-12-15

    A series of [Pt(2 nm)/Co(2 nm)]{sub 10}/Pt(30 nm) multilayers were deposited by using an ion-beam technique. X-ray diffraction and transmission electron microscopy results have shown that as-deposited samples consist of h.c.p. Co and f.c.c. Pt phases. Disordered CoPt{sub 3} phases were developed with increasing End-Hall voltage (V{sub EH}) that induces greater ion-beam bombardment energy during deposition. This indicates that intermixing of Co and Pt increases with ion-beam bombardment. The coercivities (ranging from 100 Oe to 300 Oe) of Co/Pt multilayers decreased with increasing V{sub EH}. After annealing, the formation of CoPt{sub 3} was observed in these ion-beam bombarded samples, resulting in lower coercivities (H{sub c}{proportional_to} 50 Oe). The depressed transition temperature of CoPt{sub 3} for films deposited with the largest V{sub EH} was attributed to distorted CoPt{sub 3} structures that appeared with annealing. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  18. Effect of the structural characteristics of binary Pt-Ru and ternary Pt-Ru-M fuel cell catalysts on the activity of ethanol electrooxidation in acid medium.

    Science.gov (United States)

    Antolini, Ermete

    2013-06-01

    In view of their possible use as anode materials in acid direct ethanol fuel cells, the electrocatalytic activity of Pt-Ru and Pt-Ru-M catalysts for ethanol oxidation has been investigated. This minireview examines the effects of the structural characteristics of Pt-Ru, such as the degree of alloying and Ru oxidation state, on the electrocatalytic activity for ethanol oxidation. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Understanding the structural properties and thermal stabilities of Au–Pd–Pt trimetallic clusters

    International Nuclear Information System (INIS)

    Zhao, Zheng; Li, Mingjiang; Cheng, Daojian; Zhu, Jiqin

    2014-01-01

    Highlights: • Structural properties of Au–Pd–Pt clusters are studied by Monte Carlo simulation. • Melting of Au–Pd–Pt clusters is studied by molecular dynamics simulation. • Au atoms are systematically segregated on the surface of the Au–Pd–Pt clusters. • Linear decrease in cluster melting point with the inverse cluster diameter. - Abstract: In this work, surface segregation phenomena of Au–Pd–Pt trimetallic clusters are investigated by using semi-grand Monte Carlo simulations based on the Gupta potential. It is found that Au atoms are systematically segregated on the surface of the Au–Pd–Pt clusters (6–24 at.% higher than the overall Au concentration), due to the competition among the surface energies of Au, Pd, and Pt. The melting properties of Au–Pd–Pt trimetallic clusters with different composition and size are investigated by using molecular dynamics simulations, based on the same Gupta potential. It is found that the Au–Pd–Pt trimetallic cluster with the highest melting point corresponds to the one with the most stable structure. In addition, linear decrease in cluster melting point with the inverse cluster diameter is predicted for both pure and trimetallic clusters, which is well-known as the Pawlow’s law

  20. Experimental and Theoretical Structural Investigation of AuPt Nanoparticles Synthesized Using a Direct Electrochemical Method.

    Science.gov (United States)

    Lapp, Aliya S; Duan, Zhiyao; Marcella, Nicholas; Luo, Long; Genc, Arda; Ringnalda, Jan; Frenkel, Anatoly I; Henkelman, Graeme; Crooks, Richard M

    2018-05-11

    In this report, we examine the structure of bimetallic nanomaterials prepared by an electrochemical approach known as hydride-terminated (HT) electrodeposition. It has been shown previously that this method can lead to deposition of a single Pt monolayer on bulk-phase Au surfaces. Specifically, under appropriate electrochemical conditions and using a solution containing PtCl 4 2- , a monolayer of Pt atoms electrodeposits onto bulk-phase Au immediately followed by a monolayer of H atoms. The H atom capping layer prevents deposition of Pt multilayers. We applied this method to ∼1.6 nm Au nanoparticles (AuNPs) immobilized on an inert electrode surface. In contrast to the well-defined, segregated Au/Pt structure of the bulk-phase surface, we observe that HT electrodeposition leads to the formation of AuPt quasi-random alloy NPs rather than the core@shell structure anticipated from earlier reports relating to deposition onto bulk phases. The results provide a good example of how the phase behavior of macro materials does not always translate to the nano world. A key component of this study was the structure determination of the AuPt NPs, which required a combination of electrochemical methods, electron microscopy, X-ray absorption spectroscopy, and theory (DFT and MD).

  1. Structural and electronic properties of Pt induced nanowires on Ge(110)

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, L.; Bampoulis, P.; Safaei, A.; Zandvliet, H.J.W.; Houselt, A. van, E-mail: A.vanHouselt@utwente.nl

    2016-11-30

    Highlights: • Deposition of Pt induces regularly spaced (1.13 nm, 1.97 nm and 3.38 nm) nanowires on Ge(110). • In the troughs between the wires spaced 6× the Ge lattice consant pentagons are observed. • Spatially resolved STS reveals a filled electronic state at −0.35 eV. • This state has its highest intensity above the pentagons. • For 2 ML Pt, nanowires coexist with PtGe clusters, which become liquid like above 1040 K. - Abstract: The structural and electronic properties of Pt induced nanowires on Ge(110) surfaces have been studied by scanning tunneling microscopy and low energy electron microscopy. The deposition of a sub-monolayer amount of Pt and subsequent annealing at 1100 (±30) K results into nanowires which are aligned along the densely packed [1–10] direction of the Ge(110) surface. With increasing Pt coverage the nanowires form densely packed arrays with separations of 1.1 ± 0.1 nm, 2.0 ± 0.1 nm and 3.4 ± 0.1 nm. Ge pentagons reside in the troughs for nanowire separations of 3.4 nm, however for smaller nanowire separations no pentagons are found. Spatially resolved scanning tunneling spectroscopy measurements reveal a filled electronic state at −0.35 eV. This electronic state is present in the troughs as well as on the nanowires. The −0.35 eV state has the strongest intensity on the pentagons. For Pt depositions exceeding two monolayers, pentagon free nanowire patches are found, that coexist with Pt/Ge clusters. Upon annealing at 1040 K these Pt/Ge clusters become liquid-like, indicating that we are dealing with eutectic Pt{sub 0.22}Ge{sub 0.78} clusters. Low energy electron microscopy videos reveal the formation and spinodal decomposition of these eutectic Pt/Ge clusters.

  2. Effect of Ni doping on the structural and magnetic properties of FePt nanoparticles

    International Nuclear Information System (INIS)

    Yang, H.-W.; Chung, C.-M.; Ding, Jack Y.

    2007-01-01

    A serial of FePtNi nanoparticles were investigated on their crystal structure and magnetic properties. The FePtNi nanoparticles were synthesized simultaneously by the reduction of iron (III) acetylacetonate, platinum (II) acetylacetonate and nickel (II) acetylacetonate with 1,2-hexadecanediol as the reducing agent. The X-ray diffraction patterns indicate that the addition of 8, 12, 17 at% Ni in FePt nanoparticles suppressed the transformation of the particles from disorder face-centered cubic to order face-centered tetragonal L1 0 -phase under annealing treatment. However, further increasing Ni contents to 21 at%, the nanoparticle transformed to L1 2 phase. Doping of Ni into the FePt compound system may decrease coercivity and crystal anisotropy energy. A maximum coercivity of 7 KOe at room temperature was obtained for (Fe 52 Pt 48 ) 92 Ni 8 nanoparticles after annealing at 600 deg. C for 30 min

  3. Structures of Pt clusters on graphene doped with nitrogen, boron, and silicon: a theoretical study

    Institute of Scientific and Technical Information of China (English)

    Dai Xian-Qi; Tang Ya-Nan; Dai Ya-Wei; Li Yan-Hui; Zhao Jian-Hua; Zhao Bao; Yang Zong-Xian

    2011-01-01

    The structures of Pt clusters on nitrogen-, boron-, silicon- doped graphenes are theoretically studied using densityfunctional theory. These dopants (nitrogen, boron and silicon) each do not induce a local curvature in the graphene and the doped graphenes all retain their planar form. The formation energy of the silicon-graphene system is lower than those of the nitrogen-, boron-doped graphenes, indicating that the silicon atom is easier to incorporate into the graphene.All the substitutional impurities enhance the interaction between the Pt atom and the graphene. The adsorption energy of a Pt adsorbed on the silicon-doped graphene is much higher than those on the nitrogen- and boron-doped graphenes.The doped silicon atom can provide more charges to enhance the Pt-graphene interaction and the formation of Pt clusters each with a large size. The stable structures of Pt clusters on the doped-graphenes are dimeric, triangle and tetrahedron with the increase of the Pt coverage. Of all the studied structures, the tetrahedron is the most stable cluster which has the least influence on the planar surface of doped-graphene.

  4. Simple preparations of Pd6Cl12, Pt6Cl12, and Qn[Pt2Cl8+n], n=1, 2 (Q=TBA+, PPN+) and structural characterization of [TBA][Pt2Cl9] and [PPN]2[Pt2Cl10].C7H8.

    Science.gov (United States)

    Dell'Amico, Daniela Belli; Calderazzo, Fausto; Marchetti, Fabio; Ramello, Stefano; Samaritani, Simona

    2008-02-04

    The hexanuclear Pd6Cl12, i.e., the crystal phase classified as beta-PdCl2, was obtained by reacting [TBA]2[Pd2Cl6] with AlCl3 (or FeCl3) in CH2Cl2. The action of AlCl3 on PtCl42-, followed by digestion of the resulting solid in 1,2-C2H4Cl2 (DCE), CHCl3, or benzene, produced Pt6Cl12.DCE, Pt6Cl12.CHCl3, or Pt6Cl12.C6H6, respectively. Treating [TBA]2[PtCl6] with a slight excess of AlCl3 afforded [TBA][Pt2Cl9], whose anion was established crystallographically to be constituted by two "PtCl6" octahedra sharing a face. Dehydration of H2PtCl6.nH2O with SOCl2 gave an amorphous compound closely analyzing as PtCl4, reactive with [Q]Cl in SOCl2 to yield [Q][Pt2Cl9] or [Q]2[Pt2Cl10], depending on the [Q]Cl/Pt molar ratio (Q=TBA+, PPN+). A single-crystal X-ray diffraction study has shown [PPN]2[Pt2Cl10].C7H8 to contain dinuclear anions formed by two edge-sharing PtCl6 octahedra.

  5. Facile synthesis of flower like FePt@ZnO core–shell structure and its bifunctional properties

    Energy Technology Data Exchange (ETDEWEB)

    Majeed, Jerina [Chemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India); Jayakumar, O.D., E-mail: ddjaya@barc.gov.in [Chemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India); Mandal, B.P. [Chemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India); Salunke, H.G. [Technical Physics Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India); Naik, R. [Department of Physics, Wayne State University, Detroit, MI 48202 (United States); Tyagi, A.K., E-mail: aktyagi@barc.gov.in [Chemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India)

    2014-06-01

    Graphical abstract: Flower shaped FePt and ZnO coated FePt with core–shell nanostructures are synthesized by a facile solvothermal procedure. Shell thickness of ZnO over FePt core was tuned by varying FePt concentration with respect to ZnO. Hybrid structure with lower FePt concentration exhibited bifunctionality such as near room temperature ferromagnetism and photoluminescence. Pristine FePt crystallize in the fct (L1{sub 0}) phase whereas it converts into fcc phase in presence of ZnO. - Highlights: • FePt@ZnO hybrid core–shell particles, with unique flower shape morphology have been prepared by solvothermal method. • Phase transition of fct-FePt to fcc-FePt has been found in presence of ZnO nanoparticles. • Plausible mechanism for growth of flowershaped nanoparticle is in accordance with energy minimization principle. • The core shell structure (FePt@ZnO) exhibits bi-functional properties. - Abstract: Flower shaped FePt and ZnO coated FePt (FePt@ZnO) core–shell nanostructures are synthesized by a facile solvothermal procedure. Two different compositions (molar ratio) of FePt and ZnO (FePt:ZnO = 1:3 and FePt:ZnO = 1:6) core–shells with different thicknesses of ZnO shells were synthesized. Hybrid FePt@ZnO core–shell flower structure with lower FePt concentration (FePt:ZnO = 1:6) exhibited bifunctionality including near room temperature ferromagnetism and photoluminescence at ambient conditions. X-ray diffraction patterns of pristine FePt showed partially ordered face centred tetragonal (fct) L1{sub 0} phase whereas ZnO coated FePt (FePt@ZnO) nanostructures showed hexagonal ZnO and disordered phase of FePt with fcc structure. The phase transition of fct FePt to fcc phase occurring in presence of ZnO is further confirmed by transmission electron microscopy and magnetic measurement studies. The formation of the nanoflowers was possibly due to growth along the [0 1 1] or [0 0 1] direction, keeping the core nearly spherical in accordance with the

  6. Structural Investigation of Rapidly Quenched FeCoPtB Alloys

    International Nuclear Information System (INIS)

    Grabias, A.; Kopcewicz, M.; Latuch, J.; Oleszak, D.

    2011-01-01

    Two sets of Fe 52-x Co x Pt 28 B 20 (x = 0-26 at.%) and Fe 60-x Co x Pt 25 B 15 (x = 0-40 at.%) alloys were prepared in the form of ribbons by the rapid quenching technique. Structure of the samples was characterized by Moessbauer spectroscopy and X-ray diffraction. In the as-quenched alloys the amorphous phase coexisted with the fcc-(Fe,Co)Pt disordered solid solution. Differential scanning calorimetry measurements performed in the range 50-720 ± C revealed one or two exothermal peaks. The magnetically hard ordered L1 0 (Fe,Co)Pt and magnetically soft (Fe,Co) 2 B nanocrystalline phases were formed due to thermal treatment of the alloys. The influence of Co content on the structure of the as-quenched and heated alloys was studied. (authors)

  7. Depth dependent local structures in CoPt thin films

    Energy Technology Data Exchange (ETDEWEB)

    Souza-Neto, N M [Advanced Photon Source, Argonne National Laboratory, Argonne, IL 60439 (United States); Ramos, A Y; Tolentino, H C N; Joly, Y, E-mail: aline.ramos@grenoble.cnrs.f [Institut Neel, CNRS et Univ. Joseph Fourier, BP 166, F-38042 Grenoble Cedex 9 (France)

    2009-11-15

    X-ray absorption spectroscopy (XAS) has been used to clarify the thickness-dependent magnetic properties in nanometric CoPt films. We get benefit from the variation of the sampling depth with the grazing angle to investigate the variations of the local order within the film. In order to properly reconstruct the 3D information the experiments were performed either in the in-plane as in the out-of-plane geometries and supported by ab initio calculations. A depth dependence in the chemical order is revealed and the magnetic behavior is interpreted within this framework.

  8. Thermodynamic modeling of the Pt-Zr system

    International Nuclear Information System (INIS)

    Gao Yongliang; Guo Cuiping; Li Changrong; Du Zhenmin

    2010-01-01

    By means of the CALPHAD (CALculation of PHAse Diagram) technique, the Pt-Zr system was critically assessed. The solution phases (liquid, bcc, fcc and hcp) are described with the substitutional model. The intermetallic compounds Pt 4 Zr, Pt 4 Zr 3 , αPtZr and Pt 3 Zr 5 are treated as the formula (Pt,Zr) m (Pt,Zr) n by a two-sublattice model with the elements Pt and Zr on the first and the second sublattices, respectively. A two-sublattice model (Pt,Zr) 0.5 (Pt,Zr) 0.5 is applied to describe the compound βPtZr with CsCl-type structure (B2) in order to cope with the order-disorder transition between bcc solution (A2) and βPtZr (B2). Another two-sublattice model (Pt,Zr) 0.75 (Pt,Zr) 0.25 with Ni 3 Ti-type structure (D0 24 ) is applied to describe the compound Pt 3 Zr in order to cope with the order-disorder transition between hexagonal close-packed (A3) and Pt 3 Zr (D0 24 ). The compound Pt 10 Zr 7 is treated as a stoichiometric compound. A set of self-consistent thermodynamic parameters of the Pt-Zr system was obtained. (orig.)

  9. Laser-assisted preparation and photoelectric properties of grating-structured Pt/FTO thin films

    Energy Technology Data Exchange (ETDEWEB)

    Ren, Nai-fei, E-mail: rnf_ujs@126.com [School of Mechanical Engineering, Jiangsu University, Zhenjiang 212013 (China); Jiangsu Provincial Key Laboratory of Center for Photon Manufacturing Science and Technology, Jiangsu University, Zhenjiang 212013 (China); Huang, Li-jing, E-mail: lij_huang@126.com [Jiangsu Provincial Key Laboratory of Center for Photon Manufacturing Science and Technology, Jiangsu University, Zhenjiang 212013 (China); School of Materials Science and Engineering, Jiangsu University, Zhenjiang 212013 (China); Li, Bao-jia [Jiangsu Provincial Key Laboratory of Center for Photon Manufacturing Science and Technology, Jiangsu University, Zhenjiang 212013 (China); School of Materials Science and Engineering, Jiangsu University, Zhenjiang 212013 (China); Zhou, Ming [Jiangsu Provincial Key Laboratory of Center for Photon Manufacturing Science and Technology, Jiangsu University, Zhenjiang 212013 (China); The State Key Laboratory of Tribology, Tsinghua University, Beijing 100084 (China)

    2014-09-30

    Highlights: • Pt layers were deposited by DC magnetron sputtering on commercial FTO glasses. • Pt/FTO films were irradiated by laser for inducing gratings and annealing. • An ideal grating-structured Pt/FTO film was obtained using a fluence of 1.05 J/cm{sup 2}. • The grating-structured Pt/FTO film exhibited excellent photoelectric properties. • Laser-assisted treatment is effective for improving performance of FTO-based films. - Abstract: In order to improve the transparency and conductivity of commercial fluorine-doped tin oxide (FTO) glass, platinum (Pt) layers were deposited on the FTO film by direct current (DC) magnetron sputtering, followed by being irradiating with a 532 nm nanosecond pulsed laser for the dual purpose of inducing grating structures and annealing. Introducing a Pt layer decreased the average transmittance (400–800 nm) and the sheet resistance of the initial FTO film from 80.2% and 8.4 Ω/sq to 68.6% and 7.9 Ω/sq, respectively. The ideal grating-structured Pt/FTO film was obtained by laser irradiation with a fluence of 1.05 J/cm{sup 2}, and X-ray diffraction (XRD) analysis confirmed that this film underwent optimal annealing. As a result, it exhibited an average transmittance (400–800 nm) of 84.1% and a sheet resistance of 6.8 Ω/sq. These results indicated that laser-assisted treatment combined with introduction of metal layer can effectively improve photoelectric properties of FTO single-layer films.

  10. Structural control of ultra-fine CoPt nanodot arrays via electrodeposition process

    Energy Technology Data Exchange (ETDEWEB)

    Wodarz, Siggi [Department of Applied Chemistry, Waseda University, Shinjuku, Tokyo 169-8555 (Japan); Hasegawa, Takashi; Ishio, Shunji [Department of Materials Science, Akita University, Akita City 010-8502 (Japan); Homma, Takayuki, E-mail: t.homma@waseda.jp [Department of Applied Chemistry, Waseda University, Shinjuku, Tokyo 169-8555 (Japan)

    2017-05-15

    CoPt nanodot arrays were fabricated by combining electrodeposition and electron beam lithography (EBL) for the use of bit-patterned media (BPM). To achieve precise control of deposition uniformity and coercivity of the CoPt nanodot arrays, their crystal structure and magnetic properties were controlled by controlling the diffusion state of metal ions from the initial deposition stage with the application of bath agitation. Following bath agitation, the composition gradient of the CoPt alloy with thickness was mitigated to have a near-ideal alloy composition of Co:Pt =80:20, which induces epitaxial-like growth from Ru substrate, thus resulting in the improvement of the crystal orientation of the hcp (002) structure from its initial deposition stages. Furthermore, the cross-sectional transmission electron microscope (TEM) analysis of the nanodots deposited with bath agitation showed CoPt growth along its c-axis oriented in the perpendicular direction, having uniform lattice fringes on the hcp (002) plane from the Ru underlayer interface, which is a significant factor to induce perpendicular magnetic anisotropy. Magnetic characterization of the CoPt nanodot arrays showed increase in the perpendicular coercivity and squareness of the hysteresis loops from 2.0 kOe and 0.64 (without agitation) to 4.0 kOe and 0.87 with bath agitation. Based on the detailed characterization of nanodot arrays, the precise crystal structure control of the nanodot arrays with ultra-high recording density by electrochemical process was successfully demonstrated. - Highlights: • Ultra-fine CoPt nanodot arrays were fabricated by electrodeposition. • Crystallinity of hcp (002) was improved with uniform composition formation. • Uniform formation of hcp lattices leads to an increase in the coercivity.

  11. Fabrication, morphological, structural and magnetic properties of electrodeposited Fe{sub 3}Pt nanowires and nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Khan, U. [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Adeela, N. [Centre for High Energy Physics, University of the Punjab, Lahore 54000 (Pakistan); Li, Wenjing; Irfan, M.; Javed, K.; Riaz, S. [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Han, X.F., E-mail: xfhan@iphy.ac.cn [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China)

    2017-02-15

    Highly ordered Fe{sub 3}Pt nanowires (NWs) and nanotubes (NTs) embedded in anodic aluminum oxide (AAO) template have been fabricated by dc electrodeposition method. Response of heat treatment on structural and magnetic properties of the samples has been studied with and without the presence of magnetic field (1 T). X-Ray Diffraction analysis shows chemically ordered L1{sub 2} face centered cubic (FCC) as the dominant phase for Fe{sub 3}Pt NWs and heat treatment improves crystallinity with retained its phase. Whereas, Fe{sub 3}Pt NTs show amorphous behavior with and without magnetic field annealing. Furthermore, magnetic properties of the samples have been investigated by vibrating sample magnetometer (VSM). Magnetic parameters of Fe{sub 3}Pt including magnetic coercivity, saturation magnetization, squareness and shape of MH-loops have been investigated as a result of simple and MF annealing. - Highlights: • Fe{sub 3}Pt NWs and NTs embedded into anodic alumina templates have been synthesized by dc electrodeposition method. • Structural analysis (XRD) confirmed the formation of fcc structure. • Magnetic properties have been measured as a function of simple and magnetic field annealing.

  12. Catalytic recombination of dissociation products with Pt/SnO2 for rare and common isotope long-life, closed-cycle CO2 lasers

    Science.gov (United States)

    Brown, Kenneth G.; Sidney, B. D.; Schryer, D. R.; Upchurch, B. T.; Miller, I. M.

    1986-01-01

    This paper reports results on recombination of pulsed CO2 laser dissociation products with Pt/SnO2 catalysts, and supporting studies in a surrogate laboratory catalyst reactor. The closed-cycle, pulsed CO2 laser has been continuously operated for one million pulses with an overall power degradation of less than 5 percent by flowing the laser gas mixture through a 2-percent Pt/SnO2 catalyst bed. In the surrogate laboratory reactor, experiments have been conducted to determine isotopic exchange with the catalyst when using rare-isotope gases. The effects of catalyst pretreatment, sample weight, composition, and temperature on catalyst efficiency have also been determined.

  13. Reaction of cyanide with Pt-nucleobase complexes: preparative, spectroscopic, and structural studies. Unexpected stability of Pt-thymine and Pt-uracil complexes

    International Nuclear Information System (INIS)

    Raudaschl-Sieber, G.; Lippert, B.

    1985-01-01

    In order to improve the understanding of the nature of the strongly bound cisplatin on DNA, the reactivity of a large number of complexes of cis-(NH 3 ) 2 Pt/sup II/ with the model nucleobases, 9-ethylguanine, 9-methyladenine, 1-methylcytisine, 1-methylthymine, and i-methyluracil, toward a large excess of cyanide was studied. The behavior of Pt-nucleobase complexes toward CN - is compared with that of simple Pt-amine complexes, and reactions of thiourea with two selected nucleobase complexes is reported. The relevance of these findings with respect to substitution reactions of Pt-nucleobase complexes and the nature of the tightly DNA-bound Pt, which cannot be removed by excess KCN, is discussed

  14. Measuring size dependent electrical properties from nanoneedle structures: Pt/ZnO Schottky diodes

    International Nuclear Information System (INIS)

    Mao, Shimin; Anderson, Daniel D.; Shang, Tao; Park, Byoungnam; Dillon, Shen J.

    2014-01-01

    This work reports the fabrication and testing of nanoneedle devices with well-defined interfaces that are amenable to a variety of structural and electrical characterization, including transmission electron microscopy. Single Pt/ZnO nanoneedle Schottky diodes were fabricated by a top down method using a combination of electro-polishing, sputtering, and focused ion beam milling. The resulting structures contained nanoscale planar heterojunctions with low ideality factors, the dimensions of which were tuned to study size-dependent electrical properties. The diameter dependence of the Pt/ZnO diode barrier height is explained by a joule heating effect and/or electronic inhomogeneity in the Pt/ZnO contact area

  15. Structure vs chemistry: friction and wear of Pt-based metallic surfaces.

    Science.gov (United States)

    Caron, A; Louzguine-Luzguin, D V; Bennewitz, R

    2013-11-13

    In comparison of a Pt57.5Cu14.7Ni5.3P22.5 metallic glass with a Pt(111) single crystal we find that wearless friction is determined by chemistry through bond formation alloying, while wear is determined by structure through plasticity mechanisms. In the wearless regime, friction is affected by the chemical composition of the counter body and involves the formation of a liquid-like neck and interfacial alloying. The wear behavior of Pt-based metallic surfaces is determined by their structural properties and corresponding mechanisms for plastic deformation. In the case of Pt(111) wear occurs by dislocation-mediated homogeneous plastic deformation. In contrast the wear of Pt57.5Cu14.7Ni5.3P22.5 metallic glass occurs through localized plastic deformation in shear bands that merge together in a single shear zone above a critical load and corresponds to the shear softening of metallic glasses. These results open a new route in the control of friction and wear of metals and are relevant for the development of self-lubricated and wear-resistant mechanical devices.

  16. Population genetic structure of Rhizoctonia solani AG 3-PT from potatoes in South Africa.

    Science.gov (United States)

    Muzhinji, Norman; Woodhall, James W; Truter, Mariette; van der Waals, Jacquie E

    2016-05-01

    Rhizoctonia solani AG 3-PT is an important potato pathogen causing significant yield and quality losses in potato production. However, little is known about the levels of genetic diversity and structure of this pathogen in South Africa. A total of 114 R. solani AG 3-PT isolates collected from four geographic regions were analysed for genetic diversity and structure using eight microsatellite loci. Microsatellite analysis found high intra-population genetic diversity, population differentiation and evidence of recombination. A total of 78 multilocus genotypes were identified with few shared among populations. Low levels of clonality (13-39 %) and high levels of population differentiation were observed among populations. Most of the loci were in Hardy-Weinberg equilibrium and all four populations showed evidence of a mixed reproductive mode of both clonality and recombination. The PCoA clustering method revealed genetically distinct geographic populations of R. solani AG 3-PT in South Africa. This study showed that populations of R. solani AG 3-PT in South Africa are genetically differentiated and disease management strategies should be applied accordingly. This is the first study of the population genetics of R. solani AG 3-PT in South Africa and results may help to develop knowledge-based disease management strategies. Copyright © 2016 The British Mycological Society. Published by Elsevier Ltd. All rights reserved.

  17. Correlating Structure and Oxygen Reduction Activity on Y/Pt(111) and Gd/Pt(111) Single Crystals

    DEFF Research Database (Denmark)

    Ulrikkeholm, Elisabeth Therese; Pedersen, Anders Filsøe; Johansson, Tobias Peter

    2015-01-01

    Polymer Electrolyte Membrane Fuel Cells (PEMFC) hold promise as a zero-emission source of power, particularly suitable for automotive vehicles. However, the high loading of Pt required to catalyse the Oxygen Reduction Reaction (ORR) at the PEMFC cathode prevents the commercialisation of this tech......Polymer Electrolyte Membrane Fuel Cells (PEMFC) hold promise as a zero-emission source of power, particularly suitable for automotive vehicles. However, the high loading of Pt required to catalyse the Oxygen Reduction Reaction (ORR) at the PEMFC cathode prevents the commercialisation...... of this technology. Improving the activity of Pt by alloying it with other metals could decrease the loading of Pt at the cathode to a level comparable to Pt-group metal loading in internal combustion engines. PtxY and PtxGd exhibit exceptionally high activity for oxygen reduction, both in the polycrystalline form...

  18. Judging Criterion of Controlled Structures with Closely Spaced Natural Frequencies

    International Nuclear Information System (INIS)

    Xie Faxiang; Sun Limin

    2010-01-01

    The structures with closely spaced natural frequencies widely exist in civil engineering; however, the judging criterion of the density of closely spaced frequencies is in dispute. This paper suggests a judging criterion for structures with closely spaced natural frequencies based on the analysis on a controlled 2-DOF structure. The analysis results indicate that the optimal control gain of the structure with velocity feedback is dependent on the frequency density parameter of structure and the maximum attainable additional modal damping ratio is 1.72 times of the frequency density parameter when state feedback is applied. Based on a brief review on the previous researches, a judging criterion related the minimum frequency density parameter and the required mode damping ratio was proposed.

  19. Magnetic and structural characterizations on nanoparticles of FePt, FeRh and their composites

    International Nuclear Information System (INIS)

    Ko, Hnin Yu Yu; Suzuki, Takao; Nam, Nguyen T.; Phuoc, Nguyen N.; Cao Jiangwei; Hirotsu, Yoshihiko

    2008-01-01

    The various compositions of FePt and FeRh nanoparticles, and their composite particles have been fabricated by the solution-phase chemical method and their magnetic properties characterized. High-resolution transmission electron microscopic observations indicate that mono-dispersed FeRh and FePt/FeRh nanoparticles are fabricated with the average size of 3-5 nm. However, larger size particles are distributed in the annealed state. From X-ray diffraction results, the as-deposited FeRh nanoparticles reveal a chemically disordered fcc structure which can be transformed into CsCl-type structure through thermal annealing. Similarly, the annealed FePt nanoparticles show the L1 0 -phase fct structure although the fcc structure is apparent in the as-deposited state. It is also found that the first time in the exchange bias effect in the composite of ferromagnetic (FePt) and anti-ferromagnetic (FeRh) nanoparticles; result in a shift of the hysteresis loop after field cooling process

  20. Structure of doubly-odd nucleus 184Ir from the decay of 184Pt

    International Nuclear Information System (INIS)

    Ben Braham, A.; Bourgeois, C.; Kilcher, P.; Roussiere, B.; Sauvage, J.; Kreiner, A.J.; Porquet, M.G.

    1987-01-01

    States of 184 Ir populated through the β + /EC decay of 184 Pt, were studied using mass-separated sources and on-line γ-ray and e - spectroscopy techniques. A rather complete low-spin level scheme is established. Negative and positive parity structures are interpreted within the two-quasiparticle-plus-rotor model

  1. Effect of boron addition on the structure and magnetic properties of CoPt nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Khemjeen, Yutthaya [Materials Science and Nanotechnology Program, Faculty of Science, Khon Kaen University, Khon Kaen 40002 (Thailand); Pinitsoontorn, Supree, E-mail: psupree@kku.ac.th; Chompoosor, Apiwat [Department of Physics, Faculty of Science, Khon Kaen University, Khon Kaen 40002 (Thailand); Integrated Nanotechnology Research Center, Khon Kaen University, Khon Kaen 40002 (Thailand); Nanotec-KKU Center of Excellence on Advanced Nanomaterials for Energy Production and Storage, Khon Kaen University, Khon Kaen 40002 (Thailand)

    2015-05-07

    The effect of B addition on CoPt nanoparticles was investigated. The CoPt-B nanoparticles were synthesized by means of the polyol process. Transmission electron microscopy has shown that the as-synthesized particles have a spherical morphology with average size about 2–3 nm. The X-ray absorption spectroscopy and the X-ray diffraction technique showed the effect of B concentration on phase transformation. The addition of B at up to 60% promoted the formation of the L1{sub 0} phase when the nanoparticles were subjected to annealing at 600 °C. If the B content is higher than 60%, the phase transition is suppressed. The evidence of B addition on the structure of CoPt nanoparticles was further supported by the magnetic measurements. The results show that the coercivity of the annealed CoPt-B nanoparticles was enhanced by the B additions from 20% to 60%, with the maximum coercivity of 12 000 Oe for the CoPt-40%B sample.

  2. Surface self-diffusion of adatom on Pt cluster with truncated octahedron structure

    International Nuclear Information System (INIS)

    Yang Jianyu; Hu Wangyu; Chen Shuguang

    2010-01-01

    Surface diffusion of single Pt adatom on Pt cluster with truncated octahedron structure is investigated through a combination of molecular dynamics and nudged elastic band method. Using an embedded atom method to describe the atomic interactions, the minimum energy paths are determined and the energy barriers for adatom diffusion across and along step are evaluated. The diffusion of adatom crossing step edge between {111} and {100} facets has a surprisingly low barrier of 0.03 eV, which is 0.12 eV lower than the barrier for adatom diffusion from {111} to neighboring {111} facet. Owing to the small barrier of adatom diffusion across the step edge between {111} and {100} facets, the diffusion of adatom along the step edge cannot occur. The molecular dynamics simulations at low temperatures also support these results. Our results show that mass transport will prefer step with {100} microfacet and the Pt clusters can have only {111} facets in epitaxial growth.

  3. Atomic Structure Control of Silica Thin Films on Pt(111)

    KAUST Repository

    Crampton, Andrew S; Ridge, Claron J.; Rö tzer, Marian David; Zwaschka, Gregor; Braun, Thomas; D'Elia, Valerio; Basset, Jean-Marie; Schweinberger, Florian Frank; Gü nther, Sebastian; Heiz, Ueli

    2015-01-01

    Metal oxide thin films grown on metal single crystals are commonly used to model heterogeneous catalyst supports. The structure and properties of thin silicon dioxide films grown on metal single crystals have only recently been thoroughly

  4. Electronic structure of nanoscale Cu/Pt alloys: A combined X-ray diffraction and X-ray absorption investigations

    International Nuclear Information System (INIS)

    Chen Xing; Chu Wangsheng; Cai Quan; Xia Dingguo; Wu Zhonghua; Wu Ziyu

    2006-01-01

    PVP-protected Cu/Pt clusters were prepared by glycol/water reduction method and characterized with transmission electron microscopy (TEM), X-ray diffraction (XRD) and absorption spectra. TEM and XRD analysis show that the Cu/Pt clusters with different molar ratio have fcc structure with particle size of about 4 nm, while the lattice parameters in these clusters reduce with increasing Cu concentration. From the X-ray absorption near edge structure (XANES) at Cu-K edge and Pt-L 2,3 edge, we demonstrate that the d-electronic states of Cu and Pt are affected by the local environment as a function of Cu/Pt molar ratio. With increasing Cu concentration, Pt loses a fraction of 5d electrons and the hybridization between p- and d-states at Cu sites is enhanced

  5. Electronic structure of nanoscale Cu/Pt alloys: A combined X-ray diffraction and X-ray absorption investigations

    Energy Technology Data Exchange (ETDEWEB)

    Chen Xing [Beijing Synchrotron Radiation Facility, Institute of High Energy Physics, CAS, Beijing (China); Graduate School of the Chinese Academy of Sciences, 100864 Beijing (China); Chu Wangsheng [Beijing Synchrotron Radiation Facility, Institute of High Energy Physics, CAS, Beijing (China); University of Science and Technology of China, Hefei, 230036 (China); Cai Quan [Beijing Synchrotron Radiation Facility, Institute of High Energy Physics, CAS, Beijing (China); Graduate School of the Chinese Academy of Sciences, 100864 Beijing (China); Xia Dingguo [College of Environmental and Energy Engineering, Beijing University of Technology, 100022 Beijing (China); Wu Zhonghua [Beijing Synchrotron Radiation Facility, Institute of High Energy Physics, CAS, Beijing (China); Wu Ziyu [Beijing Synchrotron Radiation Facility, Institute of High Energy Physics, CAS, Beijing (China) and National Center for Nanoscience and Technology (China)]. E-mail: wuzy@ihep.ac.cn

    2006-11-15

    PVP-protected Cu/Pt clusters were prepared by glycol/water reduction method and characterized with transmission electron microscopy (TEM), X-ray diffraction (XRD) and absorption spectra. TEM and XRD analysis show that the Cu/Pt clusters with different molar ratio have fcc structure with particle size of about 4 nm, while the lattice parameters in these clusters reduce with increasing Cu concentration. From the X-ray absorption near edge structure (XANES) at Cu-K edge and Pt-L{sub 2,3} edge, we demonstrate that the d-electronic states of Cu and Pt are affected by the local environment as a function of Cu/Pt molar ratio. With increasing Cu concentration, Pt loses a fraction of 5d electrons and the hybridization between p- and d-states at Cu sites is enhanced.

  6. Structure, microstructure and magnetic properties of electrodeposited Co and Co-Pt in different nanoscale geometries

    Energy Technology Data Exchange (ETDEWEB)

    Khatri, Manvendra Singh

    2010-07-09

    Thin films and nanowires of Co-Pt have been prepared by means of electrodeposition. Composition, structure, microstructure and magnetic properties have been intensively studied using X-ray diffraction, scanning electron microscopy and vibrating sample magnetometry and correlated to the deposition parameters such as electrolyte composition, deposition current and/or potential. Co rich Co-Pt films have been deposited at various current densities. A nearly constant composition of Co{sub 70}Pt{sub 30} was achieved for current densities between 18 and 32 mA/cm{sup 2}. Detailed texture measurements confirmed an increasing fraction of the hexagonal phase with its c-axis aligned perpendicular to the film plane with increasing current density. Accordingly, magnetic properties are strongly affected by the magnetocrystalline anisotropy of the hexagonal phase that competes with the shape anisotropy of the thin film geometry. Co-Pt nanowires have been prepared within alumina templates at different deposition potentials between -0.6 and -0.9 V{sub SCE} changing the composition from nearly pure Pt to Co. The composition Co{sub 80}Pt{sub 20} was observed at a deposition potential of -0.7 V{sub SCE}. Co-Pt nanowires are nanocrystalline in the as-deposited state. Magnetic measurements reveal changing fcc and hcp phase fractions within the wires as the effective anisotropy significantly differs from the expected shape anisotropy for nanowires with high aspect ratio. This change in effective anisotropy is attributed to the preferential alignment of the c-axis of hcp Co-Pt phase perpendicular to the nanowires axis. A promising alternative with much smaller feature sizes is the diblock copolymer template. Electrodeposition of Co and Co-Pt into these templates has been carried out. Inhomogeneities in the template thickness as well as a certain substrate roughness have been identified to be the reasons for inhomogeneous template filling. Thus magnetic properties are dominated by large

  7. Structural disordering of de-alloyed Pt bimetallic nanocatalysts

    DEFF Research Database (Denmark)

    Spanos, Ioannis; Dideriksen, Knud; Kirkensgaard, Jacob Judas Kain

    2015-01-01

    composition affects their electrocatalytic performance. The results show that upon contact with acid environment the Co leaches out of the particles leading to almost identical compositions, independent of the initial differences. Surprisingly the data show a clear trend in ORR activity, although the PtxCo1-x...... nanoparticles almost completely de-alloy during acid leaching, i.e. under reaction conditions in a fuel cell. To scrutinize the resulting particle structure after de-alloying we used pair distribution function (PDF) analysis and X-ray diffraction (XRD) gaining insight into the structural disorder and its...... dependence on the initial metal composition. Our results suggest that not only the ORR activity, but also the corrosion resistance of the synthesized NPs, are dependent on the structural disorder resulting from the de-alloying process....

  8. Frequency-restrained structure-factor refinement. Pt. 1

    International Nuclear Information System (INIS)

    Lunin, V.Yu.; Skovoroda, T.P.

    1991-01-01

    An analysis of the frequencies of different values encountered in protein electron-density syntheses reveals characteristic shapes for their distributions (histograms). This property can be used to refine ill-defined phases (and, perhaps, some of the moduli) of structure factors, and thus to obtain more-interpretable electron-density maps. A simple empirical model is designed which can predict the histogram for a protein with an undetermined structure provided its unit-cell volume and charge are known. The parameters of the histogram model are derived from a set of proteins with known spatial structures. The application of the simulated histogram is illustrated by an improved electron-density map for the 'dry' form of the protein γ-crystallin IIIb. (orig.)

  9. Wave propagation in a magnetically structured atmosphere. Pt. 2

    International Nuclear Information System (INIS)

    Roberts, B.

    1981-01-01

    Magnetic fields may introduce structure (inhomogeneity) into an otherwise uniform medium and thus change the nature of wave propagation in that medium. As an example of such structuring, wave propagation in an isolated magnetic slab is considered. It is supposed that disturbances outside the slab are laterally non-propagating. The effect of gravity is ignored. The field can support the propagation of both body and surface waves. The existence and nature of these waves depends upon the relative magnitudes of the sound speed c 0 and Alfven speed upsilonsub(A) inside the slab, and the sound speed csub(e) in the field-free environment. (orig./WL)

  10. Effect of Hf underlayer on structure and magnetic properties of rapid thermal annealed FePt thin films

    International Nuclear Information System (INIS)

    Shen, C.Y.; Yuan, F.T.; Chang, H.W.; Lin, M.C.; Su, C.C.; Chang, S.T.; Wang, C.R.; Mei, J.K.; Hsiao, S.N.; Chen, C.C.; Shih, C.W.; Chang, W.C.

    2014-01-01

    FePt(20 nm) and FePt(20 nm)/Hf(10 nm) thin films prepared on the glass substrates by sputtering and post annealing are studied. For both samples, the as deposited films are disordered and L1 0 -ordering is triggered by a 400 °C-annealing. At T a ≥600 °C, Hf–Pt intermetallic compound forms with increasing T a , which consumes Pt in FePt layer and results in the formation of Fe 3 Pt phase. The film becomes soft magnetic at T a =800 °C. The optimized condition of FePt/Hf film is in the T a range of 500 to 600 °C where the interdiffusion between Hf and FePt layer is not extensive. The value of H c is 8.9 kOe and M r is 650–670 emu/cm 3 . Unlike FePt films, the Hf-undelayered samples show significantly reduced out-of-plane remanent and coercivity. The values for both are around 50% smaller than that of the FePt films. Additionally, Hf underlayer markedly reduces the FePt grain size and narrows the distribution, which enhances magnetic intergrain coupling. Good in-plane magnetic properties are preferred for the uses like a hard biasing magnet in a spintronic device. - Highlights: • Effect of Hf underlayer on structure and magnetic properties of FePt films are studied. • Hf underlayer reduces size, narrows the distribution of grains and thus enhances intergrain coupling. • Higher T a ≥600 °C makes Hf–Pt intermetallic compound and thus Fe 3 Pt phase form. • Good in-plane magnetic property is proper for uses in hard biasing magnet in spintronic devices

  11. Spin structure at the partonic level. Pt. 1

    International Nuclear Information System (INIS)

    Leader, E.

    1983-01-01

    The fundamental internal structure of hadrons can only be probed fully using polarised beams and targets. We describe some of the essential features that can be studied in electromagnetic and weak charged current reactions and make some comments about Drell-Yan processes. (orig.)

  12. Atomistic simulations of the structures of Pd-Pt bimetallic nanoparticles and nanowires

    OpenAIRE

    Yun, Kayoung; Cha, Pil-Ryung; Lee, Jaegab; Kim, Jiyoung; Nam, Ho-Seok

    2015-01-01

    Bimetallic nanoalloys such as nanoparticles and nanowires are attracting significant attention due to their vast potential applications such as in catalysis and nanoelectronics. Notably, Pd-Pt nanoparticles/nanowires are being widely recognized as catalysts and hydrogen sensors. Compared to unary systems, alloys present more structural complexity with various compositional configurations. Therefore, it is important to understand energetically preferred atomic structures of bimetallic nanoallo...

  13. Geometric structures of thin film: Pt on Pd(110) and NiO on Ni(100)

    Energy Technology Data Exchange (ETDEWEB)

    Warren, Oden L. [Iowa State Univ., Ames, IA (United States)

    1993-07-01

    This thesis is divided into 3 papers: dynamical low-energy electron- diffraction investigation of lateral displacements in topmost layer of Pd(110); determination of (1x1) and (1x2) structures of Pt thin films on Pd(110) by dynamical low-energy electron-diffraction analysis; and structural determination of a NiO(111) film on Ni(100) by dynamical low-energy electron-diffraction analysis.

  14. Effect of Ni Core Structure on the Electrocatalytic Activity of Pt-Ni/C in Methanol Oxidation

    Directory of Open Access Journals (Sweden)

    Vladimir Linkov

    2013-07-01

    Full Text Available Methanol oxidation catalysts comprising an outer Pt-shell with an inner Ni-core supported on carbon, (Pt-Ni/C, were prepared with either crystalline or amorphous Ni core structures. Structural comparisons of the two forms of catalyst were made using transmission electron microscopy (TEM, X-ray diffraction (XRD and X-ray photoelectron spectroscopy (XPS, and methanol oxidation activity compared using CV and chronoamperometry (CA. While both the amorphous Ni core and crystalline Ni core structures were covered by similar Pt shell thickness and structure, the Pt-Ni(amorphous/C catalyst had higher methanol oxidation activity. The amorphous Ni core thus offers improved Pt usage efficiency in direct methanol fuel cells.

  15. Crystal structure and chemical bonding analysis of BaPtCd{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Gulo, Fakhili [Department of Chemical Education, Sriwijaya University, Inderalaya 30662, South Sumatra (Indonesia); Koehler, Juergen [Max Planck Institut fuer Festkoerperforschung, Heisenbergstrasse 1, 70569 Stuttgart (Germany)

    2015-03-15

    The new ternary intermetallic phase, BaPtCd{sub 2}, was synthesized by solid-state reaction from direct combination of the elements in a stoichiometric mixture. The reaction was done at 850 C for 15 h, followed by an equilibration at 600 C for 4 d. The crystal structure was determined by X-ray diffraction method on a single crystal. BaPtCd{sub 2} is isotypic to MgCuAl{sub 2} and crystallizes in the orthorhombic space group Cmcm [a = 4.467(2), b = 11.143(4), c = 8.240(3) Aa, V = 410.2(3) Aa{sup 3}, and Z = 4]. Barium atoms are linked together forming zigzag chains. Cadmium atoms are bonded to each other forming six-membered rings of platinum centered boat and anti-boat conformations. BaPtCd{sub 2} contains 16 electrons per formula unit and belongs to the electron poorest compounds with MgCuAl{sub 2} type structure. Calculations based on the linear muffin-tin orbitals method in the atomic spheres approximation show that significant bonding states in BaPtCd{sub 2} are unoccupied. (Copyright copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  16. Electronic Structure of the fcc Transition Metals Ir, Rh, Pt, and Pd

    DEFF Research Database (Denmark)

    Andersen, O. Krogh

    1970-01-01

    We give a complete description of a relativistic augmented-plane-wave calculation of the band structures of the paramagnetic fcc transition metals Ir, Rh, Pt, and Pd. The width and position of the d band decrease in the sequence Ir, Pt, Rh, Pd; and N(EF)=13.8,23.2,18.7, and 32.7 (states/atom)/Ry,......We give a complete description of a relativistic augmented-plane-wave calculation of the band structures of the paramagnetic fcc transition metals Ir, Rh, Pt, and Pd. The width and position of the d band decrease in the sequence Ir, Pt, Rh, Pd; and N(EF)=13.8,23.2,18.7, and 32.7 (states....../atom)/Ry, respectively. Spin-orbit coupling is important for all four metals and the coupling parameter varies by 30% over the d bandwidth. Detailed comparisons with de Haas—van Alphen Fermi-surface dimensions have previously been presented and the agreement was very good. Comparison with measured electronic specific...

  17. Structure determination of organic compounds by 'electron pyrolysis'. Pt. 6

    International Nuclear Information System (INIS)

    Ege, G.; Gessner, K.; Schildknecht, H.

    1977-01-01

    By action of tritiated water on N-substituted 3-Amino-Δ 4 -thiazoline-2-ones and -2-thiones cleavage of the N-N-bond occurs with the formation of Δ 4 -thiazoline-2-ones and -2-thiones, respectively, and H 2 N-R 3 . Detection and identification of the fragments is performed by thin-layer chromatography and by comparison with authentic samples under the application of a radio-scanner. Such a fragmention is strong evidence for the five-membered ring structure. (orig.) [de

  18. Pt/SnO2-based CO-oxidation catalysts for long-life closed-cycle CO2 lasers

    Science.gov (United States)

    Schryer, David R.; Upchurch, Billy T.; Hess, Robert V.; Wood, George M.; Sidney, Barry D.; Miller, Irvin M.; Brown, Kenneth G.; Vannorman, John D.; Schryer, Jacqueline; Brown, David R.

    1990-01-01

    Noble-metal/tin-oxide based catalysts such as Pt/SnO2 have been shown to be good catalysts for the efficient oxidation of CO at or near room temperature. These catalysts require a reductive pretreatment and traces of hydrogen or water to exhibit their full activity. Addition of Palladium enhances the activity of these catalysts with about 15 to 20 percent Pt, 4 percent Pd, and the balance SnO2 being an optimum composition. Unfortunately, these catalysts presently exhibit significant decay due in part to CO2 retention, probably as a bicarbonate. Research on minimizing the decay in activity of these catalysts is currently in progress. A proposed mechanism of CO oxidation on Pt/SnO2-based catalysts has been developed and is discussed.

  19. Electrochemical and structural characterization of carbon-supported Pt-Pd bimetallic electrocatalysts prepared by electroless deposition

    Energy Technology Data Exchange (ETDEWEB)

    Ohashi, Masato; Beard, Kevin D.; Ma Shuguo; Blom, Douglas A.; St-Pierre, Jean; Van Zee, John W. [Department of Chemical Engineering, University of South Carolina, Columbia, SC 29208 (United States); Monnier, John R., E-mail: monnier@cec.sc.ed [Department of Chemical Engineering, University of South Carolina, Columbia, SC 29208 (United States)

    2010-10-01

    Electrochemical and structural characteristics of various Pt-Pd/C bimetallic catalysts prepared by electroless deposition (ED) methods have been investigated. Structural analysis was conducted by X-ray diffraction spectroscopy, X-ray photoelectron spectroscopy, scanning transmission electron microscopy, and energy dispersive X-ray spectroscopy (EDS). Monometallic Pt or Pd particles were not detected by EDS, indicating the ED methodology formed only bimetallic particles. The size of the Pt-Pd bimetallic particles was smaller than those of a commercially available Pt/C catalyst. The morphology of the Pt on Pd/C catalysts was identified and corresponded to Pd particles partially encapsulated by Pt. The electrochemical characteristics of the lowest Pd loading catalyst (7.0% Pt on 0.5% Pd/C) for the oxygen reduction reaction (ORR) have been investigated by the rotating ring disk electrode technique. The electrochemical activity was equal or lower than the commercially available Pt/C catalyst; however, the amount of hydrogen peroxide observed at the ring was reduced by the Pd, suggesting that such a catalyst has the potential to decrease ionomer degradation in applications. The Pt on Pd/C catalysts also show a higher tolerance to ripening induced by potential cycling. Therefore, catalyst suitability cannot be judged solely by its initial performance; information related to specific degradation mechanisms is also needed for a more complete assessment.

  20. Structure of Cd-Ga melts. Pt. 2

    International Nuclear Information System (INIS)

    Hermann, G.; Rainer-Harbach, G.; Steeb, S.

    1980-01-01

    X-ray small-angle scattering experiments were performed on nine melts of the Cd-Ga system at different temperatures up to 440 0 C. Evaluation of the data follows the Ornstein-Zernike theory of critical scattering, thus yielding correlation lengths xi of concentration fluctuations and the long-wavelenght limit Ssub(C)sub(C)(0) of the Bhatia-Thornton structure factor. Studies of the concentration and temperature dependence of xi and Ssub(C)sub(C)(0) indicate that the critical point occurs at csub(c) = 50.0 +- 1.0 at% Ga and Tsub(c) = 295.2 +- 0.1 0 C. For a melt with the critical concentration, Ssub(C)sub(C)(0) increases up to 3500 times the ideal Ssup(i)sup(d)sub(c)sub(c)(0) = csub(A)csub(B). This indicates a strong segregation tendency. In the vicinity of the critical point of the Cd-Ga system, experimental correlation lengths xi > 100 Angstroem were obtained. The critical-point exponents ν and γ were determined. It follows that the behaviour of a critical Cd-Ga melt satisfies the prediction of the classical mean-field theory for higher temperatures, whereas, within experimental accuracy, the lattice-gas predictions are satisfied upon approaching the critical temperature. (orig.)

  1. Electronic structure of heavy fermion system CePt2In7 from angle-resolved photoemission spectroscopy

    International Nuclear Information System (INIS)

    Shen Bing; Yu Li; Lyu Shou-Peng; Jia Xiao-Wen; Zhang Yan; Wang Chen-Lu; Hu Cheng; Ding Ying; Sun Xuan; Hu Yong; Liu Jing; Gao Qiang; Zhao Lin; Liu Guo-Dong; Liu Kai; Lu Zhong-Yi; Bauer, E D; Thompson, J D; Xu Zu-Yan; Chen Chuang-Tian

    2017-01-01

    We have carried out high-resolution angle-resolved photoemission measurements on the Ce-based heavy fermion compound CePt 2 In 7 that exhibits stronger two-dimensional character than the prototypical heavy fermion system CeCoIn 5 . Multiple Fermi surface sheets and a complex band structure are clearly resolved. We have also performed detailed band structure calculations on CePt 2 In 7 . The good agreement found between our measurements and the calculations suggests that the band renormalization effect is rather weak in CePt 2 In 7 . A comparison of the common features of the electronic structure of CePt 2 In 7 and CeCoIn 5 indicates that CeCoIn 5 shows a much stronger band renormalization effect than CePt 2 In 7 . These results provide new information for understanding the heavy fermion behaviors and unconventional superconductivity in Ce-based heavy fermion systems. (paper)

  2. Hierarchically structured Co₃O₄@Pt@MnO₂ nanowire arrays for high-performance supercapacitors.

    Science.gov (United States)

    Xia, Hui; Zhu, Dongdong; Luo, Zhentao; Yu, Yue; Shi, Xiaoqin; Yuan, Guoliang; Xie, Jianping

    2013-10-17

    Here we proposed a novel architectural design of a ternary MnO2-based electrode - a hierarchical Co3O4@Pt@MnO2 core-shell-shell structure, where the complemental features of the three key components (a well-defined Co3O4 nanowire array on the conductive Ti substrate, an ultrathin layer of small Pt nanoparticles, and a thin layer of MnO2 nanoflakes) are strategically combined into a single entity to synergize and construct a high-performance electrode for supercapacitors. Owing to the high conductivity of the well-defined Co3O4 nanowire arrays, in which the conductivity was further enhanced by a thin metal (Pt) coating layer, in combination with the large surface area provided by the small MnO2 nanoflakes, the as-fabricated Co3O4@Pt@MnO2 nanowire arrays have exhibited high specific capacitances, good rate capability, and excellent cycling stability. The architectural design demonstrated in this study provides a new approach to fabricate high-performance MnO2-based nanowire arrays for constructing next-generation supercapacitors.

  3. A DFT study of cyclopropane adsorption on Pt(1 1 1). Electronic structure and bonding

    International Nuclear Information System (INIS)

    Germán, E.; López-Corral, I.; Pirillo, S.; Juan, A.; Brizuela, G.

    2014-01-01

    We have studied the adsorption of cyclopropane (c-C 3 H 6 ) on Pt(1 1 1) by means of the density functional theory (DFT). We have investigated the preferential adsorption geometry, considering different adsorption sites and bonding configurations for the molecular adsorbate. We have also computed the electronic structure and bonding interactions by means of density of states (DOS), crystal orbital overlap population (OPDOS), and overlap population (OP) analysis. Our results show a small preference for Bridge and Top adsorption sites with the cyclopropane ring parallel to the surface. Pt-C equilibrium distance is ∼3.5 Å and a weak bond is formed during adsorption. The main bonding interaction comes from the Pt-H overlap population. Pt 5p z orbitals play an important role in the bonding between c-C 3 H 6 and the surface. We have found that Van der Waals (vdW) corrections to the energies improve the adsorption values without changing the preferential site geometries.

  4. Structural Diversity and Close Interracial Relationships in College

    Science.gov (United States)

    Bowman, Nicholas A.

    2012-01-01

    Recent legal and political actions have challenged the use of race-conscious college admissions policies. Earlier research offers mixed evidence about the link between an institution's racial/ethnic composition (i.e., structural diversity) and the formation of close interracial relationships, so the present study examines this topic directly for…

  5. Magnetic properties and structure of (FexCo100-x)3Pt alloy thin films

    International Nuclear Information System (INIS)

    Nahid, M.A.I.; Suzuki, Takao

    2005-01-01

    A study of the magnetic properties of (Fe x Co 100-x ) 3 Pt (0= 19 ) phase is realized. This m-DO 19 phase is found to exhibit the large perpendicular magnetic anisotropy (K per ) (∼10 7 erg/cc). There is a maximum in K per at about x=10. The K per is found to decrease with x (x>10), which is correlated with the structural transformation

  6. Structure and phase transitions at the interface between α-Al2O3 and Pt

    Science.gov (United States)

    Ophus, Colin; Santala, Melissa K.; Asta, Mark; Radmilovic, Velimir

    2013-06-01

    The structure and thermodynamics of interfaces between (111) Pt and the basal plane of α-Al2O3 have been studied through a combination of high-resolution electron microscopy and first-principles calculations. Within the framework of ab initio thermodynamics the structure and excess free energies are calculated as functions of temperature (T) and oxygen partial pressure (PO2), for three competing interface terminations. Comparisons between measurements and calculations establish that the interface is oxygen terminated, and a structural phase transition is predicted in the range of experimentally accessible T and PO2 from the calculated interfacial free energies.

  7. Effect of the structure of Pt-Ru/C particles on COad monolayer vibrational properties and electrooxidation kinetics

    International Nuclear Information System (INIS)

    Maillard, Frederic; Bonnefont, Antoine; Chatenet, Marian; Guetaz, Laure; Doisneau-Cottignies, Beatrice; Roussel, Herve; Stimming, Ulrich

    2007-01-01

    In this paper, we combined FTIR spectroscopy and CO ad stripping voltammetry to investigate CO ad adsorption and electrooxidation on Pt-Ru/C nanoparticles. The Pt:Ru elemental composition and the metal loading were determined by ICP-AES. The X-ray diffraction patterns of the Pt-Ru/C indicated formation of a Pt-Ru (fcc) alloy. HREM images revealed an increase in the fraction of agglomerated Pt-Ru/C particles with increasing the metal loading and showed that agglomerated Pt-Ru/C nanoparticles present structural defects such as twins or grain boundaries. In addition, isolated Pt-Ru/C nanoparticles have similar mean particle size (ca. 2.5 nm) and particle size distributions whatever the metal loading. Therefore, we could determine precisely the effect of particle agglomeration on the CO ad vibrational properties and electrooxidation kinetics. FTIR measurements revealed a main CO ad stretching band at ca. ν-bar CO L =2030cm -1 , which we ascribed to a-top CO ad on Pt domains electronically modified by the presence of Ru. As the metal loading increased, the position of this band was blue shifted by ca. 5 cm -1 and a shoulder around 2005 cm -1 developed, which was ascribed to a-top CO ad on Ru domains. The reason for this was suggested to be the increasing size of Ru domains on agglomerated Pt-Ru/C particles, which lifts dipole-dipole coupling and allows two vibrational features to be observed (CO ad /Ru, CO ad /Pt). This is evidence that FTIR spectroscopy can be used to probe small chemical fluctuations of the Pt-Ru/C surface. Finally, we comment on the CO ad electrooxidation kinetics. We observed that CO ad was converted more easily into CO 2 as the metal loading, i.e. the fraction of agglomerated Pt-Ru/C nanoparticles, increased

  8. Structural health monitoring of glass/epoxy composite plates with MEMS PMN-PT sensors

    Science.gov (United States)

    Simon, Brenton R.; Tang, Hong-Yue; Horsley, David A.; La Saponara, Valeria; Lestari, Wahyu

    2009-03-01

    Sensors constructed with single-crystal PMN-PT, i.e. Pb(Mg1/3Nb2/3)O3-PbTiO3 or PMN, are developed in this paper for structural health monitoring of composite plates. To determine the potential of PMN-PT for this application, glass/epoxy composite specimens were created containing an embedded delamination-starter. Two different piezoelectric materials were bonded to the surface of each specimen: PMN-PT, the test material, was placed on one side of the specimen, while a traditional material, PZT-4, was placed on the other. A comparison of the ability of both materials to transmit and receive an ultrasonic pulse was conducted, with the received signal detected by both a second surface-bonded transducer constructed of the same material, as well as a laser Doppler vibrometer (LDV) analyzing the same location. The optimal frequency range of both sets of transducers is discussed and a comparison is presented of the experimental results to theory. The specimens will be fatigued until failure with further data collected every 3,000 cycles to characterize the ability of each material to detect the growing delamination in the composite structure. This additional information will be made available during the conference.

  9. Synthesis of Supported NiPt Bimetallic Nanoparticles, Methods for Controlling the Surface Coverage of Ni Nanoparticles With Pt, Methods Of Making NiPt Multilayer Core-Shell Structures and Application of the Supported Catalysts for CO2 Reforming

    KAUST Repository

    Li, Lidong; Anjum, Dalaver H.; Zhou, Lu; Laveille, Paco; Basset, Jean-Marie

    2015-01-01

    Embodiments of the present disclosure provide for supported Ni/Pt bimetallic nanoparticles, compositions including supported NiPt nanoparticles, methods of making supported NiPt nanoparticles, methods of using supported NiPt nanoparticles

  10. Synthesis of Supported NiPt Bimetallic Nanoparticles, Methods for Controlling the Surface Coverage of Ni Nanoparticles With Pt, Methods Of Making NiPt Multilayer Core-Shell Structures and Application of the Supported Catalysts for CO2 Reforming

    KAUST Repository

    Li, Lidong

    2015-06-25

    Embodiments of the present disclosure provide for supported Ni/Pt bimetallic nanoparticles, compositions including supported NiPt nanoparticles, methods of making supported NiPt nanoparticles, methods of using supported NiPt nanoparticles, and the like.

  11. Electric-field tunable spin diode FMR in patterned PMN-PT/NiFe structures

    Energy Technology Data Exchange (ETDEWEB)

    Ziętek, Slawomir, E-mail: zietek@agh.edu.pl; Skowroński, Witold; Stobiecki, Tomasz [AGH University of Science and Technology, Department of Electronics, Al. Mickiewicza 30, 30-059 Kraków (Poland); Ogrodnik, Piotr, E-mail: piotrogr@if.pw.edu.pl [AGH University of Science and Technology, Department of Electronics, Al. Mickiewicza 30, 30-059 Kraków (Poland); Faculty of Physics, Warsaw University of Technology, ul. Koszykowa 75, 00-662 Warszawa (Poland); Stobiecki, Feliks [Institute of Molecular Physics, Polish Academy of Sciences, ul. Smoluchowskiego 17, 60-179 Poznań (Poland); Dijken, Sebastiaan van [NanoSpin, Department of Applied Physics, Aalto University School of Science, P.O. Box 15100, FI-00076 Aalto (Finland); Barnaś, Józef [Faculty of Physics, Adam Mickiewicz University, ul. Umultowska 85, 61-614 Poznań (Poland); Institute of Molecular Physics, Polish Academy of Sciences, ul. Smoluchowskiego 17, 60-179 Poznań (Poland)

    2016-08-15

    Dynamic properties of NiFe thin films on PMN-PT piezoelectric substrate are investigated using the spin-diode method. Ferromagnetic resonance (FMR) spectra of microstrips with varying width are measured as a function of magnetic field and frequency. The FMR frequency is shown to depend on the electric field applied across the substrate, which induces strain in the NiFe layer. Electric field tunability of up to 100 MHz per 1 kV/cm is achieved. An analytical model based on total energy minimization and the Landau-Lifshitz-Gilbert equation, taking into account the magnetostriction effect, is used to explain the measured dynamics. Based on this model, conditions for optimal electric-field tunable spin diode FMR in patterned NiFe/PMN-PT structures are derived.

  12. Structures of closed and open conformations of dimeric human ATM

    Science.gov (United States)

    Baretić, Domagoj; Pollard, Hannah K.; Fisher, David I.; Johnson, Christopher M.; Santhanam, Balaji; Truman, Caroline M.; Kouba, Tomas; Fersht, Alan R.; Phillips, Christopher; Williams, Roger L.

    2017-01-01

    ATM (ataxia-telangiectasia mutated) is a phosphatidylinositol 3-kinase–related protein kinase (PIKK) best known for its role in DNA damage response. ATM also functions in oxidative stress response, insulin signaling, and neurogenesis. Our electron cryomicroscopy (cryo-EM) suggests that human ATM is in a dynamic equilibrium between closed and open dimers. In the closed state, the PIKK regulatory domain blocks the peptide substrate–binding site, suggesting that this conformation may represent an inactive or basally active enzyme. The active site is held in this closed conformation by interaction with a long helical hairpin in the TRD3 (tetratricopeptide repeats domain 3) domain of the symmetry-related molecule. The open dimer has two protomers with only a limited contact interface, and it lacks the intermolecular interactions that block the peptide-binding site in the closed dimer. This suggests that the open conformation may be more active. The ATM structure shows the detailed topology of the regulator-interacting N-terminal helical solenoid. The ATM conformational dynamics shown by the structures represent an important step in understanding the enzyme regulation. PMID:28508083

  13. Recent advances in platinum monolayer electrocatalysts for oxygen reduction reaction: Scale-up synthesis, structure and activity of Pt shells on Pd cores

    Energy Technology Data Exchange (ETDEWEB)

    Sasaki, K., E-mail: ksasaki@bnl.go [Brookhaven National Laboratory, Chemistry Department, Upton, NY 11973 (United States); Wang, J.X. [Brookhaven National Laboratory, Chemistry Department, Upton, NY 11973 (United States); Naohara, H. [Toyota Motor Corporation, Susono 410-1193 (Japan); Marinkovic, N. [University of Delaware, Department of Chemical Engineering, Newark, DE 19716 (United States); More, K. [Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Inada, H. [Hitachi High Technologies America, Pleasanton, CA 94588 (United States); Adzic, R.R., E-mail: adzic@bnl.go [Brookhaven National Laboratory, Chemistry Department, Upton, NY 11973 (United States)

    2010-03-01

    We have established a scale-up synthesis method to produce gram-quantities of Pt monolayer electrocatalysts. The core-shell structure of the Pt/Pd/C electrocatalyst has been verified using the HAADF-STEM Z-contrast images, STEM/EELS, and STEM/EDS line profile analysis. The atomic structure of this electrocatalyst and formation of a Pt monolayer on Pd nanoparticle surfaces were examined using in situ EXAFS. The Pt mass activity of the Pt/Pd/C electrocatalyst for ORR is considerably higher than that of commercial Pt/C electrocatalysts. The results with Pt monolayer electrocatalysts may significantly impact science of electrocatalysis and fuel-cell technology, as they have demonstrated an exceptionally effective way of using Pt that can resolve problems of other approaches, including electrocatalysts' inadequate activity and high Pt content.

  14. Recent advances in platinum monolayer electrocatalysts for oxygen reduction reaction: Scale-up synthesis, structure and activity of Pt shells on Pd cores

    International Nuclear Information System (INIS)

    Sasaki, K.; Wang, J.X.; Naohara, H.; Marinkovic, N.; More, K.; Inada, H.; Adzic, R.R.

    2010-01-01

    We have established a scale-up synthesis method to produce gram-quantities of Pt monolayer electrocatalysts. The core-shell structure of the Pt/Pd/C electrocatalyst has been verified using the HAADF-STEM Z-contrast images, STEM/EELS, and STEM/EDS line profile analysis. The atomic structure of this electrocatalyst and formation of a Pt monolayer on Pd nanoparticle surfaces were examined using in situ EXAFS. The Pt mass activity of the Pt/Pd/C electrocatalyst for ORR is considerably higher than that of commercial Pt/C electrocatalysts. The results with Pt monolayer electrocatalysts may significantly impact science of electrocatalysis and fuel-cell technology, as they have demonstrated an exceptionally effective way of using Pt that can resolve problems of other approaches, including electrocatalysts' inadequate activity and high Pt content.

  15. Large enhancement of Blocking temperature by control of interfacial structures in Pt/NiFe/IrMn/MgO/Pt multilayers

    Directory of Open Access Journals (Sweden)

    Xi Chen

    2015-09-01

    Full Text Available The Blocking temperature (TB of Pt/NiFe/IrMn/MgO/Pt multilayers was greatly enhanced from far below room temperature (RT to above RT by inserting 1 nm thick Mg layer at IrMn/MgO interface. Furthermore, the exchange bias field (Heb was increased as well by the control of interfacial structures. The evidence for a significant fraction of Mn-O bonding at IrMn/MgO interface without Mg insertion layer was provided by X-ray photoelectron spectroscopy. The bonding between Mn and O can decrease the antiferromagnetism of IrMn film, leading to lower value of TB in Pt/NiFe/IrMn/MgO/Pt multilayers. Ultrathin Mg film inserted at IrMn/MgO interface acting as an oxygen sinking layer can suppress the oxidation reactions between Mn and O and reduce the formation of Mn-O bonding greatly. The oxidation suppression results in the recovery of the antiferromagnetism of IrMn film, which can enhance TB and Heb. Furthermore, the high resolution transmission electron microscopy demonstrates that the Mg insertion layer can efficiently promote a high-quality MgO (200 texture. This study will enhance the understanding of physics in antiferromagnet-based spintronic devices.

  16. Synchrotron radiation based multi-scale structural characterization of CoPt{sub 3} colloidal nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Zargham, Ardalan

    2010-08-05

    Bimetallic CoPt{sub 3} nanoparticles represent a category of colloidal nanoparticles with high application potentials in, e.g., heterogeneous catalysis, sensor technology, and magnetic storage media. Deposition of this system on functionalized supports delivers opportunities for controlled immobilization of the nanoparticles. In this work, self-assembled monolayers (SAMs) of n-alkanethiol molecules served as functionalizing material for the Au covered Si substrates. Deposition of the ligand-terminated nanoparticles took place by means of spin and dip coating and has been optimized for each of the mentioned methods so that monolayers of nanoparticles on supports were fabricated with a well-controlled coverage The morphology of the nanoparticle film arranged is addressed by grazing-incidence small angle x-ray scattering (GISAXS). This together with x-ray standing waves in total external reflection (TER-XSW) enables a 3D structural characterization of such nanoparticle films, so that the mean particle size, mean distance of the arranged nanoparticle films to the substrate, as well as the mean particle-particle distance in lateral direction have been determined. TER-XSW, being an element-specific position-sensitive method, also reveals the elemental distribution of the particles which complementary provides a fundamental understanding of their internal structure. The CoPt{sub 3} nanoparticles investigated here exhibit a core-shell-like structure with cores of CoPt{sub 3} and shells mainly comprise Co. The results regarding the internal structure of the nanoparticles were then verified by extended X-ray absorption fine structure (EXAFS) measurements. (orig.)

  17. Surface self-diffusion of adatom on Pt cluster with truncated octahedron structure

    Energy Technology Data Exchange (ETDEWEB)

    Yang Jianyu, E-mail: wuliyangjianyu@yahoo.com.c [Department of Maths and Physics, Hunan Institute of Engineering, Xiangtan 411104 (China); Hu Wangyu, E-mail: wangyuhu2001@yahoo.com.c [Department of Applied Physics, Hunan University, Changsha 410082 (China); Chen Shuguang [Department of Applied Physics, Hunan University, Changsha 410082 (China)

    2010-05-03

    Surface diffusion of single Pt adatom on Pt cluster with truncated octahedron structure is investigated through a combination of molecular dynamics and nudged elastic band method. Using an embedded atom method to describe the atomic interactions, the minimum energy paths are determined and the energy barriers for adatom diffusion across and along step are evaluated. The diffusion of adatom crossing step edge between {l_brace}111{r_brace} and {l_brace}100{r_brace} facets has a surprisingly low barrier of 0.03 eV, which is 0.12 eV lower than the barrier for adatom diffusion from {l_brace}111{r_brace} to neighboring {l_brace}111{r_brace} facet. Owing to the small barrier of adatom diffusion across the step edge between {l_brace}111{r_brace} and {l_brace}100{r_brace} facets, the diffusion of adatom along the step edge cannot occur. The molecular dynamics simulations at low temperatures also support these results. Our results show that mass transport will prefer step with {l_brace}100{r_brace} microfacet and the Pt clusters can have only {l_brace}111{r_brace} facets in epitaxial growth.

  18. Schottky barrier and band edge engineering via the interfacial structure and strain for the Pt/TiO2 heterostructure.

    Science.gov (United States)

    Ma, Xiangchao; Wu, Xin; Wang, Yucheng; Dai, Ying

    2017-07-19

    Charge transfer across the Pt/TiO 2 interface, which is mainly determined by the interface Schottky barrier height (SBH), is an important process in the (photo)catalytic and electronic applications of the Pt/TiO 2 composite. Therefore, systematic investigation of the factors that affect the interface SBH is indispensable for understanding and optimizing its performance. In this work, a systematic study of the effects of the interfacial structure and strain on the SBH of the Pt/TiO 2 (001) interface has been carried out based on the first-principles calculations. The results of interface adhesion energy show that two different interfacial structures for the Pt/TiO 2 (001) heterointerface may exist experimentally, namely, O-Pt bonding and Ti-Pt bonding. Moreover, the interfacial structures result in not only different values for the SBH, but also different dependences of the SBH on strain. Detailed investigations show that these versatile modulations of the SBH with the structure and strain are mainly attributed to the strong dependence of the band edges of TiO 2 and the interfacial potential alignments on the strain and structure, suggesting that these results are general and may be applicable to other metal/TiO 2 heterostructures.

  19. Fluid-Structure Interaction Mechanisms for Close-In Explosions

    Directory of Open Access Journals (Sweden)

    Andrew B. Wardlaw Jr.

    2000-01-01

    Full Text Available This paper examines fluid-structure interaction for close-in internal and external underwater explosions. The resulting flow field is impacted by the interaction between the reflected explosion shock and the explosion bubble. This shock reflects off the bubble as an expansion that reduces the pressure level between the bubble and the target, inducing cavitation and its subsequent collapse that reloads the target. Computational examples of several close-in interaction cases are presented to document the occurrence of these mechanisms. By comparing deformable and rigid body simulations, it is shown that cavitation collapse can occur solely from the shock-bubble interaction without the benefit of target deformation. Addition of a deforming target lowers the flow field pressure, facilitates cavitation and cavitation collapse, as well as reducing the impulse of the initial shock loading.

  20. Photoconductive detector of circularly polarized radiation based on a MIS structure with a CoPt layer

    Science.gov (United States)

    Kudrin, A. V.; Dorokhin, M. V.; Zdoroveishchev, A. V.; Demina, P. B.; Vikhrova, O. V.; Kalent'eva, I. L.; Ved', M. V.

    2017-11-01

    A photoconductive detector of circularly polarized radiation based on the metal-insulator-semiconductor structure of CoPt/(Al2O3/SiO2/Al2O3)/InGaAs/GaAs is created. The efficiency of detection of circularly polarized radiation is 0.75% at room temperature. The operation of the detector is based on the manifestation of the effect of magnetic circular dichroism in the CoPt layer, that is, the dependence of the CoPt transmission coefficient on the sign of the circular polarization of light and magnetization.

  1. Reversible unidirectional reflection and absorption of PT-symmetry structure under electro-optical modulation

    Science.gov (United States)

    Fang, Yun-tuan; Zhang, Yi-chi; Xia, Jing

    2018-06-01

    In order to obtain tunable unidirectional device, we assumed an ideal periodic layered Parity-Time (PT) symmetry structure inserted by doped LiNbO3 (LN) interlayers. LN is a typical electro-optical material of which the refractive index depends on the external electric field. In our work, we theoretically investigate the modulation effect of the external electric field on the transmittance and reflectance of the structure through numerical method. Through selected structural parameters, the one-way enhanced reflection and high absorption (above 0.9) behaviors are found. Within a special frequency band (not a single frequency), our theoretical model performs enhanced reflection in one incidence direction and high absorption in the other direction. Furthermore, the directions of enhanced reflection and absorption can be reversed through reversing the direction of applied electric field. Such structure with reversible properties has the potential in designing new optical devices.

  2. CO Sensing Performance of a Micro Thermoelectric Gas Sensor with AuPtPd/SnO₂ Catalyst and Effects of a Double Catalyst Structure with Pt/α-Al₂O₃.

    Science.gov (United States)

    Goto, Tomoyo; Itoh, Toshio; Akamatsu, Takafumi; Shin, Woosuck

    2015-12-15

    The CO sensing properties of a micro thermoelectric gas sensor (micro-TGS) with a double AuPtPd/SnO₂ and Pt/α-Al₂O₃ catalyst were investigated. While several nanometer sized Pt and Pd particles were uniformly dispersed on SnO₂, the Au particles were aggregated as particles measuring >10 nm in diameter. In situ diffuse reflectance Fourier transform Infrared spectroscopy (DRIFT) analysis of the catalyst showed a CO adsorption peak on Pt and Pd, but no clear peak corresponding to the interaction between CO and Au was detected. Up to 200 °C, CO combustion was more temperature dependent than that of H₂, while H₂ combustion was activated by repeated exposure to H₂ gas during the periodic gas test. Selective CO sensing of the micro-TGS against H₂ was attempted using a double catalyst structure with 0.3-30 wt% Pt/α-Al₂O₃ as a counterpart combustion catalyst. The sensor output of the micro-TGS decreased with increasing Pt content in the Pt/α-Al₂O₃ catalyst, by cancelling out the combustion heat from the AuPtPd/SnO₂ catalyst. In addition, the AuPtPd/SnO₂ and 0.3 wt% Pt/α-Al₂O₃ double catalyst sensor showed good and selective CO detection. We therefore demonstrated that our micro-TGS with double catalyst structure is useful for controlling the gas selectivity of CO against H₂.

  3. Preparation and characterization of Pt/C and Pt sbnd Ru/C electrocatalysts for direct ethanol fuel cells

    Science.gov (United States)

    Liu, Zhaolin; Ling, Xing Yi; Su, Xiaodi; Lee, Jim Yang; Gan, Leong Ming

    Nano-sized Pt and Pt sbnd Ru colloids are prepared by a microwave-assisted polyol process, and transferred to a toluene solution of decanthiol. Vulcan XC-72 is then added to the toluene solution to adsorb the thiolated Pt and Pt sbnd Ru colloids. Transmission electron microscopy examinations show nearly spherical particles and narrow size distributions for both supported and unsupported metals. The carbon-supported Pt and Pt sbnd Ru nanoparticles are activated by thermal treatment to remove the thiol stabilizing shell. All Pt and Pt sbnd Ru catalysts (except Pt 23sbnd Ru 77) give the X-ray diffraction pattern of a face-centered cubic (fcc) crystal structure, whereas the Pt 23sbnd Ru 77 alloy is more typical of the hexagonal close packed (hcp) structure. The electro-oxidation of liquid ethanol on these catalysts is investigated at room temperature by cyclic voltammetry. The results demonstrate that the alloy catalyst is catalytically more active than pure platinum. Preliminary tests on a single cell of a direct ethanol fuel cell (DEFC) indicate that a Pt 52sbnd Ru 48/C anode catalyst gives the best electrocatalytic performance among all the carbon-supported Pt and Pt sbnd Ru catalysts.

  4. Preparation and characterization of Pt/C and Pt-Ru/C electrocatalysts for direct ethanol fuel cells

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Zhaolin; Ling, Xing Yi; Su, Xiaodi; Lee, Jim Yang; Gan, Leong Ming [Institute of Materials Research and Engineering, 3 Research Link, Singapore 117602 (Singapore)

    2005-09-26

    Nano-sized Pt and Pt-Ru colloids are prepared by a microwave-assisted polyol process, and transferred to a toluene solution of decanthiol. Vulcan XC-72 is then added to the toluene solution to adsorb the thiolated Pt and Pt-Ru colloids. Transmission electron microscopy examinations show nearly spherical particles and narrow size distributions for both supported and unsupported metals. The carbon-supported Pt and Pt-Ru nanoparticles are activated by thermal treatment to remove the thiol stabilizing shell. All Pt and Pt-Ru catalysts (except Pt{sub 23}-Ru{sub 77}) give the X-ray diffraction pattern of a face-centered cubic (fcc) crystal structure, whereas the Pt{sub 23}-Ru{sub 77} alloy is more typical of the hexagonal close packed (hcp) structure. The electro-oxidation of liquid ethanol on these catalysts is investigated at room temperature by cyclic voltammetry. The results demonstrate that the alloy catalyst is catalytically more active than pure platinum. Preliminary tests on a single cell of a direct ethanol fuel cell (DEFC) indicate that a Pt{sub 52}-Ru{sub 48}/C anode catalyst gives the best electrocatalytic performance among all the carbon-supported Pt and Pt-Ru catalysts. (author)

  5. Organic superalkalis with closed-shell structure and aromaticity

    Science.gov (United States)

    Srivastava, Ambrish Kumar

    2018-06-01

    Benzene (C6H6) and polycyclic hydrocarbons such as naphthalene (C10H8), anthracene (C14H10) and coronene (C24H12) are well known aromatic organic compounds. We study the substitution of Li replacing all H-atoms in these hydrocarbons using density functional method. The vertical ionisation energy of such lithiated species, i.e. C6Li6, C10Li8, C14Li10 and C24Li12 ranges 4.24-4.50 eV, which is lower than the ionisation energy (IE) of Li atom. Thus, these species may behave as superalkalis due to their lower IE than alkali metal. However, these lithiated species possess planar and closed-shell structure, unlike typical superalkalis. Furthermore, all Li-substituted species are aromatic although their degree of aromaticity is reduced as compared to corresponding hydrocarbon analogues. We have further explored the structure of C6Li6 as star-like, unlike its inorganic analogue B3N3Li6, which appears as fan-like structure. We have also demonstrated that the interaction of C6Li6 with a superhalogen (such as BF4) is similar to that of a typical superalkali (such as OLi3). This may further suggest that the proposed lithiated species may form a new class of closed-shell organic superalkalis with aromaticity.

  6. Mn doping effect on structure and magnetism of epitaxial (FePt)1-xMnx films

    International Nuclear Information System (INIS)

    Huang, J.C.A.; Chang, Y.C.; Yu, C.C.; Yao, Y.D.; Hu, Y.M.; Fu, C.M.

    2003-01-01

    We study the structure and perpendicular magnetism of molecular beam epitaxy grown (FePt) 1-x Mn x films with doping concentration x=0, 1%, 2%, 3%, 4%, and 5%. The (FePt) 1-x Mn x films were made by multilayers growth of [Fe/Pt/Mn]xN at 100 deg. C and annealed at 600 deg. C. X-ray diffraction scans indicate that relatively better L1 0 ordered structure for low Mn doping (x 3%. The perpendicular magnetic anisotropy effect of the (FePt) 1-x Mn x films tends to decrease with the increase of Mn doping for x>1%. However, the x=1% doped films possess slightly better perpendicular magnetic anisotropy effect than the zero doped film. The perpendicular magnetic anisotropy constant are of about 1.3x10 7 and 1.6x10 7 erg/cm 3 for x=0% and x=1%, respectively

  7. Are artificial opals non-close-packed fcc structures?

    Science.gov (United States)

    García-Santamaría, F.; Braun, P. V.

    2007-06-01

    The authors report a simple experimental method to accurately measure the volume fraction of artificial opals. The results are modeled using several methods, and they find that some of the most common yield very inaccurate results. Both finite size and substrate effects play an important role in calculations of the volume fraction. The experimental results show that the interstitial pore volume is 4%-15% larger than expected for close-packed structures. Consequently, calculations performed in previous work relating the amount of material synthesized in the opal interstices with the optical properties may need revision, especially in the case of high refractive index materials.

  8. Analisis Niat Penggunaan E-filing Di PT “X” Dan Pt”y” Surabaya Dengan Structural Equation Modeling

    OpenAIRE

    Jimantoro, Christina; Tjondro, Elisa

    2014-01-01

    Penelitian ini dilakukan untuk mengetahui pengaruh persepsi kegunaan, persepsi kemudahan, sikap penggunaan, norma subjektif dan persepsi kemampuan mengontrol terhadap niat penggunaan e-filing oleh wajib pajak orang pribadi. Sampel penelitian ini adalah 64 karyawan PT “X” dan PT “Y” di Surabaya. Teknik analisis data yang digunakan adalah Structural Equation Modelling berbasis Variance (Partial Least Square).Hasil penelitian ini menunjukkan adanya pengaruh persepsi kegunaan dan kemudahan terhad...

  9. Structural and magnetic properties of UCo1/3T2/3Al solid solutions (T = Ru, Pt, Rh)

    International Nuclear Information System (INIS)

    Andreev, A. V.; Bordallo, H. N.; Chang, S.; Nakotte, H.; Schultz, A. J.; Sechovsky, V.; Torikachvili, M. S.

    1999-01-01

    We report on neutron diffraction studies of UCo 1/3 T 2/3 Al (T = Ru, Pt, Rh). All three solid solutions form in the hexagonal ZrNiAl structure. The Ru-containing compound is found to be chemically ordered, while the Pt-containing compound is nearly disordered and the Rh-containing compound is purely disordered. All three compounds exhibit long-range magnetic order with rather small U moments

  10. Pt hierarchical structure catalysts on BaTiO{sub 3}/Ti electrode for methanol and ethanol electrooxidations

    Energy Technology Data Exchange (ETDEWEB)

    Hu, Chenguo; He, Xiaoshan; Xia, Chuanhui [Department of Applied Physics, Chongqing University, Chongqing 400044 (China)

    2010-03-15

    Electrooxidations of methanol and ethanol have been investigated on different Pt catalytic titanium-supported electrodes in both acidic and alkaline media using cyclic voltammetry. BaTiO{sub 3} is used for the first time to make a nanoscaled roughness on the surface of Ti foil in order to effectively deposit Pt hierarchical structure and block foulness in solution reactions. The morphology of BaTiO{sub 3} nanocube on Ti foil, Pt catalysts deposited on BaTiO{sub 3}/Ti and Ti foil electrodes are characterized by field emission scanning electron microscopy. The results indicate that Pt nanoflowers can be effectively grown on the Ti foil covered with 1 {mu}m layer of BaTiO{sub 3} nanocubes and the catalytic oxidation behaviors to methanol and ethanol are much better than those of the Pt/Ti electrode as Pt nanoparticles can hardly be deposited on the smooth surface of the Ti foil. The Pt/BaTiO{sub 3}/Ti electrode could be adopted as excellent catalytic anode in fuel cells. (author)

  11. High-Entropy Alloys in Hexagonal Close-Packed Structure

    Science.gov (United States)

    Gao, M. C.; Zhang, B.; Guo, S. M.; Qiao, J. W.; Hawk, J. A.

    2016-07-01

    The microstructures and properties of high-entropy alloys (HEAs) based on the face-centered cubic and body-centered cubic structures have been studied extensively in the literature, but reports on HEAs in the hexagonal close-packed (HCP) structure are very limited. Using an efficient strategy in combining phase diagram inspection, CALPHAD modeling, and ab initio molecular dynamics simulations, a variety of new compositions are suggested that may hold great potentials in forming single-phase HCP HEAs that comprise rare earth elements and transition metals, respectively. Experimental verification was carried out on CoFeReRu and CoReRuV using X-ray diffraction, scanning electron microscopy, and energy dispersion spectroscopy.

  12. Structural and magnetic properties of FePt nanoparticles from the gas phase; Strukturelle und magnetische Eigenschaften von FePt-Nanopartikeln aus der Gasphase

    Energy Technology Data Exchange (ETDEWEB)

    Dmitrieva, O.

    2007-09-21

    In this work, we present the structural and magnetic characterization of FePt nanoparticles. The nanoparticles with mean size of about 6 nm were prepared by sputtering in the gas and subsequent inert gas condensation. The particles are annealed in the furnace during their flight prior to deposition on a substrate. The aim of this work is to prepare magnetically hard FePt nanoparticles in the L1{sub 0}-ordered phase. The structure of the particles was investigated by high-resolution transmission electron microscopy, and the investigations were supported by contrast simulations. The morphology of the particles varies with the sputter-gas pressure and with the annealing temperature. At a pressure of 0.5 mbar, the FePt-nanoparticles are multiply-twinned with an icosahedral structure and exhibit no formation of the L1{sub 0}-ordered phase. At a higher pressure of 1 mbar and an annealing temperature of 1000 C, the particles are partially single-crystalline. About 36 % of the particles are found to be in the L1{sub 0}-ordered state as was estimated by statistical counting supported by simulations. In order to activate the volume diffusion in the particles and to stabilize the formation of the L1{sub 0}-ordered state, the addition of nitrogen was used during the sputtering phase. In this phase, atomic nitrogen is incorporated interstitially into the structure of the primary particles. After annealing nitrogen effuses out of the particles and, thereby, increases the volume diffusion of the Fe and Pt atoms. The incorporation of nitrogen atoms during nucleation and their effusion at an annealing temperature of 1000 C was verified by electron energy loss spectroscopy (EELS) and X-ray absorption spectroscopy (XAS). Structural investigations on particles prepared in the presence of nitrogen shows that most of the particles are single-crystalline and about 70 % of them are L1{sub 0}-ordered. Detailed structural analysis of the nanoparticles was done by the exit wave

  13. Thermoelectric characteristics of Pt-silicide/silicon multi-layer structured p-type silicon

    International Nuclear Information System (INIS)

    Choi, Wonchul; Jun, Dongseok; Kim, Soojung; Shin, Mincheol; Jang, Moongyu

    2015-01-01

    Electric and thermoelectric properties of silicide/silicon multi-layer structured devices were investigated with the variation of silicide/silicon heterojunction numbers from 3 to 12 layers. For the fabrication of silicide/silicon multi-layered structure, platinum and silicon layers are repeatedly sputtered on the (100) silicon bulk substrate and rapid thermal annealing is carried out for the silicidation. The manufactured devices show ohmic current–voltage (I–V) characteristics. The Seebeck coefficient of bulk Si is evaluated as 195.8 ± 15.3 μV/K at 300 K, whereas the 12 layered silicide/silicon multi-layer structured device is evaluated as 201.8 ± 9.1 μV/K. As the temperature increases to 400 K, the Seebeck coefficient increases to 237.2 ± 4.7 μV/K and 277.0 ± 1.1 μV/K for bulk and 12 layered devices, respectively. The increase of Seebeck coefficient in multi-layered structure is mainly attributed to the electron filtering effect due to the Schottky barrier at Pt-silicide/silicon interface. At 400 K, the thermal conductivity is reduced by about half of magnitude compared to bulk in multi-layered device which shows the efficient suppression of phonon propagation by using Pt-silicide/silicon hetero-junctions. - Highlights: • Silicide/silicon multi-layer structured is proposed for thermoelectric devices. • Electric and thermoelectric properties with the number of layer are investigated. • An increase of Seebeck coefficient is mainly attributed the Schottky barrier. • Phonon propagation is suppressed with the existence of Schottky barrier. • Thermal conductivity is reduced due to the suppression of phonon propagation

  14. Influence of domain structure induced coupling on magnetization reversal of Co/Pt/Co film with perpendicular anisotropy

    Energy Technology Data Exchange (ETDEWEB)

    Matczak, Michał [Institute of Molecular Physics, Polish Academy of Sciences, M. Smoluchowskiego 17, 60-179 Poznań (Poland); NanoBioMedical Centre, Adam Mickiewicz University, Umultowska 85, 61-614 Poznań (Poland); Schäfer, Rudolf [Leibniz Institute for Solid State and Materials Research (IFW) Dresden, Institute for Metallic Materials, PO 270116, D-01171 Dresden (Germany); Dresden University of Technology, Institute for Materials Science, D-01062 Dresden (Germany); Urbaniak, Maciej; Kuświk, Piotr; Szymański, Bogdan; Schmidt, Marek; Aleksiejew, Jacek [Institute of Molecular Physics, Polish Academy of Sciences, M. Smoluchowskiego 17, 60-179 Poznań (Poland); Stobiecki, Feliks, E-mail: Feliks.Stobiecki@ifmpan.poznan.pl [Institute of Molecular Physics, Polish Academy of Sciences, M. Smoluchowskiego 17, 60-179 Poznań (Poland); NanoBioMedical Centre, Adam Mickiewicz University, Umultowska 85, 61-614 Poznań (Poland)

    2017-01-15

    A magnetic multilayer of substrate/Pt-15 nm/Co-0.8 nm/Pt-wedge 0–7 nm/Co-0.6 nm/Pt-2 nm structure is characterized by a perpendicular anisotropy of the Co layers and by graded interlayer coupling between them. Using magnetooptical Kerr microscopy we observed a distinct influence of magnetic domains in one Co layer on the nucleation field and positions of nucleation sites of reversed domains in the second Co layer. For sufficiently strong interlayer coupling a replication of magnetic domains from the magnetically harder layer to the magnetically softer layer is observed. - Highlights: • Co/Pt-wedge/Co layered film is characterized by a gradient of interlayer coupling. • Magnetic field controls propagation of straight domain wall. • Replication of magnetic domains in multilayers with strong ferromagnetic coupling. • Coupling induced by domains influences magnetization reversal of spin valves.

  15. Evolution of the spin hall magnetoresistance in Cr2O3/Pt bilayers close to the Néel temperature

    Science.gov (United States)

    Schlitz, Richard; Kosub, Tobias; Thomas, Andy; Fabretti, Savio; Nielsch, Kornelius; Makarov, Denys; Goennenwein, Sebastian T. B.

    2018-03-01

    We study the evolution of magnetoresistance with temperature in thin film bilayers consisting of platinum and antiferromagnet Cr2O3 with its easy axis out of the plane. We vary the temperature from 20 °C to 60 °C, in the vicinity of the Néel temperature of Cr2O3 of approximately 37 °C. The magnetoresistive response is recorded during rotations of the external magnetic field in three mutually orthogonal planes. A large magnetoresistance having a symmetry consistent with a positive spin Hall magnetoresistance is observed in the paramagnetic phase of Cr2O3, which however vanishes when cooling to below the Néel temperature. Compared to analogous experiments in a Gd3Ga5O12/Pt bilayer, we conclude that a paramagnetic moment in the insulator induced by an applied magnetic field is not sufficient to explain the observed magnetoresistance. We speculate that the type of magnetic moment at the interface qualitatively impacts the spin angular momentum transfer, with the 3d moments of Cr sinking angular momentum much more efficiently as compared to the more localized 4f moments of Gd.

  16. Suppression of slow capacitance relaxation phenomenon in Pt/Ba0.3Sr0.7TiO3/Pt thin film ferroelectric structures by annealing in oxygen atmosphere

    KAUST Repository

    Altynnikov, A. G.; Gagarin, A. G.; Gaidukov, M. M.; Tumarkin, A. V.; Petrov, P. K.; Alford, N.; Kozyrev, A. B.

    2014-01-01

    The impact of oxygen annealing on the switching time of ferroelectric thin film capacitor structures Pt/Ba0.3Sr0.7TiO3/Pt was investigated. The response of their capacitance on pulsed control voltages before and after annealing was experimentally

  17. Growth of carbon structured over Pd, Pt and Ni: A comparative DFT study

    Science.gov (United States)

    Quiroga, Matías Abel

    2013-03-01

    To elucidate the graphene-like structures mechanisms growth over the M(1 1 1) surface (M = Pd, Pt and Ni) we performed ab initio calculus in the frame of density functional theory with the exchange-correlation functional treated according to the Generalized Gradient Approximation (GGA). In order to avoid the problem that represent the complex interaction between the well formed graphene layer and the metallic surface, we recreate the carbon rings formation initial steps, by adding one by one carbon atoms over M(1 1 1) surface. With this strategy, the chemical bonding is always present until the graphene layer is well formed, in which case the GGA neglects van der Waals dispersive forces. We investigate the electronic properties by studying the band structure and the density of states.

  18. Correlação entre a estrutura atômica superficial e o processo de adsorção-dessorção reversível de hidrogênio em eletrodos monocristalinos Pt(111, Pt(100 e Pt(110 The correlation between the atomic surface structure and the reversible adsorption-desorption of hydrogen on single crystal Pt (111, Pt (100 and Pt (110 electrodes

    Directory of Open Access Journals (Sweden)

    Valderi Pacheco dos Santos

    2001-12-01

    Full Text Available Platinum is widely used as electrode in electrocatalytic processes, however the use of polycrystalline electrodes introduces a series of variables in the electrochemical system due to the aleatory contribution of all the crystallographic orientations with different surface packing of atoms. Single crystal platinum electrodes of low Miller index present surface structure of high regularity and serve as model to establish a correlation among the macroscopic and microscopic properties of the electrochemical interface. Therefore, the main aim of this work is the study of the voltammetric profiles of the reversible adsorption-desorption of hydrogen on Pt(100, Pt(110 and Pt(111, in order to correlate the electrochemical properties of each different orientation with the surface atomic structure.

  19. First-principles study of structural stability, electronic, optical and elastic properties of binary intermetallic: PtZr

    Energy Technology Data Exchange (ETDEWEB)

    Pagare, Gitanjali, E-mail: gita-pagare@yahoo.co.in [Department of Physics, Sarojini Naidu Government Girls P. G. Autonomous College, Bhopal-462016 (India); Jain, Ekta, E-mail: jainekta05@gmail.com [Department of Physics, Government M. L. B. Girls P. G. Autonomous College, Bhopal-462002 (India); Sanyal, S. P., E-mail: sps.physicsbu@gmail.com [Department of Physics, Barkatullah University, Bhopal-462026 (India)

    2016-05-06

    Structural, electronic, optical and elastic properties of PtZr have been studied using the full-potential linearized augmented plane wave (FP-LAPW) method within density functional theory (DFT). The energy against volume and enthalpy vs. pressure variation in three different structures i.e. B{sub 1}, B{sub 2} and B{sub 3} for PtZr has been presented. The equilibrium lattice parameter, bulk modulus and its pressure derivative have been obtained using optimization method for all the three phases. Furthermore, electronic structure was discussed to reveal the metallic character of the present compound. The linear optical properties are also studied under zero pressure for the first time. Results on elastic properties are obtained using generalized gradient approximation (GGA) for exchange correlation potentials. Ductile nature of PtZr compound is predicted in accordance with Pugh’s criteria.

  20. Ultrathin Pt films on Ni(111): Structure determined by surface x-ray diffraction

    International Nuclear Information System (INIS)

    Robach, O.; Isern, H.; Quiros, C.; Ferrer, S.; Steadman, P.; Peters, K. F.

    2003-01-01

    The growth of platinum on a nickel (111) single crystal under ultrahigh vacuum conditions was studied using surface x-ray diffraction on the ID03 beamline of the ESRF. Film thickness ranged from one to eight monoatomic layers (ML). Specular reflectivity was used to determine the growth mode and vertical lattice parameter of the Pt film. A two-dimensional (2D) growth up to 1 ML followed by more 3D growth was found. A small expansion of the Pt vertical lattice parameter was found. The Pt in-plane lattice parameter was measured. Its relaxation was found to be very slow, with a residual contraction of 2.3% in an 8-ML-thick film (with respect to bulk Pt). A Ni crystal truncation rod measured before and after growing 1 ML of Pt revealed the presence of a small amount of pseudomorphic Pt, adsorbed on both fcc and hcp sites. The stacking of the (111) Pt planes was investigated by measuring stacking-sensitive Pt diffraction rods. A strong tendency to stacking reversal was found at room temperature, with an amount of 'reversed' Pt about ten times higher than the amount of Pt with the same stacking as the Ni. An eight-layer Ni film on Pt(111) was also studied for comparison

  1. Significance of structure–soil–structure interaction for closely spaced structures

    International Nuclear Information System (INIS)

    Roy, Christine; Bolourchi, Said; Eggers, Daniel

    2015-01-01

    Nuclear facilities typically consist of many closely spaced structures with different sizes and depths of embedment. Seismic response of each structure could be influenced by dynamic structure–soil–structure interaction (SSSI) behavior of adjacent closely spaced structures. This paper examines the impact of SSSI on the in-structure response spectra (ISRS) and peak accelerations of a light structure adjacent to a heavy structure and of a heavy structure adjacent to a similar heavy structure for several soil cases, foundation embedment depths, and separation distances. The impacts of a heavy surface or embedded structure on adjacent ground motions were studied. The analyses demonstrated the adjacent ground motions are sensitive to foundation embedment, soil profile, response frequency, and distance from the structure. Seismic responses of a light structure located near a heavy structure are calculated either by modeling both structures subjected to free field motions, or performing a cascade analysis by considering the light structure model subjected to modified ground motions due to the heavy structure. Cascade SSSI analyses are shown to adequately account for the effect of the heavy structure on the light structure without explicitly modeling both structures together in a single analysis. To further study the influence of SSSI behavior, this paper examines dynamic response of two adjacent heavy structures and compares this response to response of a single heavy structure neglecting adjacent structures. The SSSI responses of the two heavy structures are evaluated for varying soil conditions and structure separation distances using three-dimensional linear SSI analyses and considering anti-symmetry boundary conditions. The analyses demonstrate that the SSSI response of a light or a heavy structure can be influenced by the presence of a nearby heavy structure. Although this study considers linear analysis methodology, the conclusion of SSSI influences on dynamic

  2. Elucidation of Operon Structures across Closely Related Bacterial Genomes

    Science.gov (United States)

    Li, Guojun

    2014-01-01

    About half of the protein-coding genes in prokaryotic genomes are organized into operons to facilitate co-regulation during transcription. With the evolution of genomes, operon structures are undergoing changes which could coordinate diverse gene expression patterns in response to various stimuli during the life cycle of a bacterial cell. Here we developed a graph-based model to elucidate the diversity of operon structures across a set of closely related bacterial genomes. In the constructed graph, each node represents one orthologous gene group (OGG) and a pair of nodes will be connected if any two genes, from the corresponding two OGGs respectively, are located in the same operon as immediate neighbors in any of the considered genomes. Through identifying the connected components in the above graph, we found that genes in a connected component are likely to be functionally related and these identified components tend to form treelike topology, such as paths and stars, corresponding to different biological mechanisms in transcriptional regulation as follows. Specifically, (i) a path-structure component integrates genes encoding a protein complex, such as ribosome; and (ii) a star-structure component not only groups related genes together, but also reflects the key functional roles of the central node of this component, such as the ABC transporter with a transporter permease and substrate-binding proteins surrounding it. Most interestingly, the genes from organisms with highly diverse living environments, i.e., biomass degraders and animal pathogens of clostridia in our study, can be clearly classified into different topological groups on some connected components. PMID:24959722

  3. Growth, structure and magnetic properties of FePt nanostructures on NaCl(001) and MgO(001)

    International Nuclear Information System (INIS)

    Liscio, F; Maret, M; Doisneau-Cottignies, B; Makarov, D; Albrecht, M; Roussel, H

    2010-01-01

    A comparison of the structural and magnetic properties of FePt nanostructures grown at different temperatures on NaCl(001) and MgO(001) substrates is presented. A strong influence of the deposition temperature on the epitaxial growth as well as on the size distribution of FePt nanostructures grown on NaCl substrates is observed. In spite of a large lattice mismatch between FePt and NaCl, a 'cube-over-cube' growth of nanostructures with a narrow size distribution was achieved at 520 K. Moreover, the growth of FePt nanostructures on NaCl(001) is not preceded by the formation of a wetting layer as observed on MgO(001). The higher degree of L1 0 chemical ordering in FePt nanostructures grown on MgO(001) accompanied by the absence of L1 0 variants with an in-plane tetragonal c-axis indicates that the tensile epitaxial stress induced by the MgO substrate is a key factor in the formation of the L1 0 phase with an out-of-plane c-axis. Superparamagnetic behavior is revealed for the FePt nanostructures grown on NaCl(001) due to their small size and relatively poor chemical order.

  4. Dielectric and magnetic characterizations of capacitor structures with an ionic liquid/MgO barrier and a ferromagnetic Pt electrode

    Directory of Open Access Journals (Sweden)

    D. Hayakawa

    2016-11-01

    Full Text Available The dielectric and magnetic properties of electric double layer (EDL capacitor structures with a perpendicularly magnetized Pt/Co/Pt electrode and an insulating cap layer (MgO are investigated. An electric field is applied through a mixed ionic liquid/MgO barrier to the surface of the top Pt layer, at which the magnetic moment is induced by the ferromagnetic proximity effect. The basic dielectric properties of the EDL capacitor are studied by varying the thickness of the MgO cap layer. The results indicate that the capacitance, i.e., the accumulated charge density at the Pt surface, is reduced with increasing the MgO thickness. From the MgO thickness dependence of the capacitance value, the effective dielectric constant of the ionic liquid is evaluated. Almost no electric field effect on the magnetic moment, the coercivity, or the Curie temperature is confirmed in the top Pt layer with the thickness of 1.3 nm, regardless of the presence or absence of the MgO cap layer, whereas the a clear change in the magnetic moment is observed when the top Pt layer is replaced by a Pd layer of 1.7 nm.

  5. Influence of cobalt content on the structure and hard magnetic properties of nanocomposite (Fe,Co)-Pt-B alloys

    Energy Technology Data Exchange (ETDEWEB)

    Grabias, A., E-mail: agnieszka.grabias@itme.edu.pl [Institute of Electronic Materials Technology, Wólczyńska 133, 01-919 Warsaw (Poland); Kopcewicz, M. [Institute of Electronic Materials Technology, Wólczyńska 133, 01-919 Warsaw (Poland); Latuch, J.; Oleszak, D. [Faculty of Materials Science and Engineering, Warsaw University of Technology, Wołoska 141, 02-507 Warsaw (Poland); Pękała, M. [Department of Chemistry, University of Warsaw, Al. Żwirki i Wigury 101, 02-089 Warsaw (Poland); Kowalczyk, M. [Faculty of Materials Science and Engineering, Warsaw University of Technology, Wołoska 141, 02-507 Warsaw (Poland)

    2017-07-15

    Highlights: • Nanocomposite alloys were formed by annealing of the rapidly quenched alloys. • Magnetically hard L1{sub 0} (Fe,Co)Pt and soft (Fe,Co){sub 2}B or (Fe,Co)B were formed. • Mössbauer spectra revealed Co substitution for Fe in L1{sub 0} FePt, FeB and Fe{sub 2}B phases. • Annealed alloys exhibit hard magnetic properties which depend on phase compositions. • Co addition was found to decrease the magnetization and the energy product. - Abstract: The influence of Co content on the structural and hard magnetic properties of two sets of nanocrystalline Fe{sub 52−x}Co{sub x}Pt{sub 28}B{sub 20} (x = 0–26) and Fe{sub 60−y}Co{sub y}Pt{sub 25}B{sub 15} (y = 0–40) alloys was studied. The alloys were prepared as ribbons by the rapid quenching technique. The nanocomposite structure in the alloys was obtained by annealing at 840–880 K for 30 min. Structural characterization of the samples was performed using the Mössbauer spectroscopy and X-ray diffraction. Magnetic properties of the samples were studied by the measurements of the hysteresis loops and of the magnetization at increasing temperatures. An amorphous phase prevailed in the as-quenched Fe{sub 52−x}Co{sub x}Pt{sub 28}B{sub 20} alloys while a disordered solid solution of fcc-(Fe,Co)Pt was a dominating phase in the Fe{sub 60−y}Co{sub y}Pt{sub 25}B{sub 15} ribbons. Differential scanning calorimetry measurements revealed one or two exothermic peaks at temperatures up to 993 K, depending on the composition of the alloys. Thermal treatment of the samples led to the formation of the magnetically hard ordered L1{sub 0} tetragonal (Fe,Co)Pt nanocrystallites and magnetically softer phases of (Fe,Co)B (for Fe{sub 52−x}Co{sub x}Pt{sub 28}B{sub 20}) or (Fe,Co){sub 2}B (for Fe{sub 60−y}Co{sub y}Pt{sub 25}B{sub 15}). Detailed Mössbauer spectroscopy studies revealed that cobalt substituted for iron in both the L1{sub 0} phase and in iron borides. The nanocomposite Fe{sub 60−y}Co{sub y}Pt

  6. Structural, magnetic and electronic properties of FenPt13−n clusters with n=0–13: A first-principle study

    International Nuclear Information System (INIS)

    Du, Xiaoli; Liu, Chuan; Zhang, Shengli; Wang, Peng; Huang, Shiping; Tian, Huiping

    2014-01-01

    The structural, magnetic and electronic properties of Fe n Pt 13−n (n=0–13) nanoclusters are investigated using a density functional theory. It is found that the original icosahedra structure of Fe n Pt 13−n nanoclusters with n=3–8 deforms completely and exhibits the maximum Fe–Pt bonds. Furthermore, all the energetically preferable Fe n Pt 13−n (n=0–13) nanoclusters are found to be ferromagnetic coupling, and the magnetic moments of both Fe and Pt are enhanced. The large exchange splitting between the majority and the minority spin states indicates high magnetic moments based on the analysis of electronic density of states. In addition, electrons transfer from Fe to Pt atoms enhances the local atomic magnetic moments of Fe and Pt in Fe n Pt 13−n nanoclusters. - Highlights: • Magnetic properties of Fe n Pt 13−n are investigated using the density functional theory. • Structure of Fe n Pt 13−n nanoclusters with n=3–8 deforms completely. • Electron transfer from Fe to Pt atoms enhances local atomic magnetic moments. • The large exchange splitting in the spin states indicates high magnetic moments

  7. Edge-closed laminated structures for thin-film heads

    Science.gov (United States)

    Herman, D. A.; Argyle, B. E.; Lee, H.-P.; Trouilloud, P. O.; Petek, B.

    1991-04-01

    Magnetic film laminations containing nonmagnetic spacers have been explored with the hope of eliminating domain walls to diminish Barkhausen instabilities. Such laminates have limitations however, which originate in their ``edge-curling walls'' (ECWs).1 We have developed a new structure, free of ECWs, in which flux closure at opposing edges occurs via edge-shorting material added to circulate the easy-axis flux of the flat layers. We show experimentally with Kerr-effect imaging that (1) this edge-closed laminated (ECL) structure can support an (ECW-free) ``easy-axis'' (EA) magnetic state under conditions as modeled recently by Slonczewski,2 and (2) that this EA state is quite robust in the face of imperfect structure fabrication. This is, if the imperfections are not too severe, the resultant states depart minimally from the pure EA state and conduct hard-axis-driven flux nearly as well. Flat-film ECL elements in diamond, stripe, and recording-head-yoke shapes, plus experimental heads with ECL top yokes, were fabricated. Our domain images verify some key predictions from Slonczewski's static equilibrium modeling; additional results taken in applied magnetic fields extend the micromagnetic understanding. The sketch shows a typical domain pattem for a yoke-shaped element. The most stable state in the open portion of the yoke is the single domain shown. This remanent pattern was stable in the face of (slowly varying) external fields up to the 150 Oe that could be applied. The pole tip region contained a few 180° walls as indicated. On close inspection, these walls were seen to end in vestigial, nontouching, closure domains as predicted by the model when only partial flux closure occurs via the edge shorting material. The wall spacing in the tip varied somewhat following saturation-demagnetization cycles. The dynamic stability of this EA state was investigated in the experimental heads having ECL top yokes. The pseudodynamic LAMOM technique3 was applied using ``write

  8. Influence of an Fe cap layer on the structural and magnetic properties of Fe49Pt51/Fe bi-layers

    International Nuclear Information System (INIS)

    Chao-Yang, Duan; Bin, Ma; Zong-Zhi, Zhang; Qing-Yuan, Jin; Fu-Lin, Wei

    2009-01-01

    The influences of an Fe cap layer on the structural and magnetic properties of FePt/Fe bi-layers are investigated. Compared with single FePt alloy films, a thin Fe layer can affect the crystalline orientation and improve the chemical ordering of L1 0 FePt films. Moreover, the coercivity increases when a thin Fe layer covers the FePt layer. Beyond a critical thickness, however, the Fe cover layer quickens the magnetization reversal of Fe 49 Pt 51 /Fe bi-layers by their exchange coupling

  9. Magnetic properties and structure of FePt/FeMn multilayers

    International Nuclear Information System (INIS)

    Phuoc, Nguyen N.; Suzuki, Takao

    2007-01-01

    A systematic study of the magnetic properties by ion beam sputter-deposition system, was conducted in conjunction with the structure of FePt/FeMn multilayers fabricated onto MgO(0 0 1) substrates. Both parallel and perpendicular exchange biases were observed in the multilayers and were found to decrease drastically, as the deposition temperature is higher than 350 deg. C, which is evidently due to the interdiffusion at the interface. The thickness dependence study shows that the perpendicular magnetic anisotropy observed in the multilayers originates from surface anisotropy, being consistent with the decrease of perpendicular magnetic anisotropy as the deposition temperature is increased. The difference between parallel and perpendicular blocking temperatures that was clearly observed, is possibly due to the spin canting out of plane at the interface

  10. SFG study on potential-dependent structure of water at Pt electrode/electrolyte solution interface

    Energy Technology Data Exchange (ETDEWEB)

    Noguchi, Hidenori; Okada, Tsubasa; Uosaki, Kohei [Physical Chemistry Laboratory, Division of Chemistry, Graduate School of Science, Hokkaido University, Sapporo 060-0810 (Japan)

    2008-10-01

    Structure of water at Pt/electrolyte solution interface was investigated by sum frequency generation (SFG) spectroscopy. Two broad peaks were observed in OH stretching region at ca. 3200 cm{sup -1} and ca. 3400 cm{sup -1}, which are known to be due to the symmetric OH stretching (U{sub 1}) of tetrahedrally coordinated, i.e., strongly hydrogen bonded 'ice-like' water, and the asymmetric OH stretching (U{sub 3}) of water molecules in a more random arrangement, i.e., weakly hydrogen bonded 'liquid-like' water, respectively. The SFG intensity strongly depended on electrode potential. Several possibilities are suggested for the potential dependence of the SFG intensity. (author)

  11. Gradient Mn-La-Pt Catalysts with Three-layered Structure for Li-O2 battery

    Science.gov (United States)

    Cai, Kedi; Yang, Rui; Lang, Xiaoshi; Zhang, Qingguo; Wang, Zhenhua; He, Tieshi

    2016-01-01

    Gradient Mn-La-Pt catalysts with three-layered structure of manganese dioxide (MnO2), lanthanum oxide (La2O3), and Platinum (Pt) for Li-O2 battery are prepared in this study. The mass ratio of the catalysts is respectively 5:2:3, 4:2:4, and 3:2:5 (MnO2: La2O3: Pt) which is start from the side of the electrolyte. The relationship between morphology structure and electrochemical performance of gradient catalyst is investigated by energy dispersive spectrometry and constant current charge/discharge test. The Li-O2 battery based on gradient Mn-La-Pt catalysts shows high discharge specific capacity (2707 mAh g−1), specific energy density (8400 Wh kg−1) and long cycle life (56 cycles). The improvement of the Li-O2 battery discharge capacity is attributed to the gradient distribution of MnO2 and Pt and the involvement of La2O3 that can improve the energy density of the battery. More important, this work will also provide new ideas and methods for the research of other metal-air battery. PMID:27731340

  12. Crystal structure of the coordination polymer [FeIII2{PtII(CN4}3

    Directory of Open Access Journals (Sweden)

    Maksym Seredyuk

    2015-01-01

    Full Text Available The title complex, poly[dodeca-μ-cyanido-diiron(IIItriplatinum(II], [FeIII2{PtII(CN4}3], has a three-dimensional polymeric structure. It is built-up from square-planar [PtII(CN4]2− anions (point group symmetry 2/m bridging cationic [FeIIIPtII(CN4]+∞ layers extending in the bc plane. The FeII atoms of the layers are located on inversion centres and exhibit an octahedral coordination sphere defined by six N atoms of cyanide ligands, while the PtII atoms are located on twofold rotation axes and are surrounded by four C atoms of the cyanide ligands in a square-planar coordination. The geometrical preferences of the two cations for octahedral and square-planar coordination, respectively, lead to a corrugated organisation of the layers. The distance between neighbouring [FeIIIPtII(CN4]+∞ layers corresponds to the length a/2 = 8.0070 (3 Å, and the separation between two neighbouring PtII atoms of the bridging [PtII(CN4]2− groups corresponds to the length of the c axis [7.5720 (2 Å]. The structure is porous with accessible voids of 390 Å3 per unit cell.

  13. Trans-ligand-dependent arrangement (bent or linear) of Pt II-bound dialkylcyanamide ligands: Molecular structure of trans-dichloro(dimethylcyanamide)(dimethyl sulfoxide)platinum(II)

    Science.gov (United States)

    Anisimova, Tatyana B.; Bokach, Nadezhda A.; Fritsky, Igor O.; Haukka, Matti

    2011-11-01

    The title compound, trans-[PtCl 2(NCNMe 2)(Me 2SO)], is the first example of the structurally characterized Pt II species having the nitrile and the sulfoxide ligands in the trans-position to each other. The most significant feature of this structure is the non-linear arrangement of the Pt sbnd N1 sbnd C1 fragment providing the rare case of the bent form of the dialkylcyanamide ligand.

  14. Structurally simple supported platinum clusters prepared from [Pt15(CO)30]2- on magnesium oxide

    NARCIS (Netherlands)

    Chang, J.R.; Koningsberger, D.C.; Gates, B.C.

    1992-01-01

    A G. Longoni-P. Chini (1976) cluster, [Pt15(CO)30]2-, was prepd. on MgO powder by a surface-mediated synthesis from Na2PtCl6 in the presence of CO. The formation of [Pt15(CO)30]2- and its decarbonylation at 120 Deg under vacuum were characterized by IR and x-ray spectra. The decarbonylated cluster

  15. Vortical flow structure of thermoacoustic oscillations in a closed tube

    International Nuclear Information System (INIS)

    Ishii, Katsuya; Kitagawa, Shyun; Ishigaki, Masahiro; Adachi, Shizuko

    2014-01-01

    Spontaneous thermoacoustic oscillations of a gas in a closed cylindrical tube are studied. Numerical simulations of the flow field in the tube on which a temperature gradient along the axis is imposed are performed by solving the axisymmetric compressible Navier–Stokes equations. The wall temperature of the hot part near both ends (300 K) and that of the cold part near the center (20 K) are fixed. The computations are done for various values of the length ratio ξ of the hot part to the cold part between 0.3 and 1.0, and steady oscillatory states are obtained. These states are divided into three groups according to the magnitude of the pressure amplitude. The state in each group has distinguished features of the flow field. We analyze the effect of vortices on the structure of the temperature distribution. The difference of the boundary layer thickness between the hot part and the cold part is shown to play an important role. (paper)

  16. Vortical flow structure of thermoacoustic oscillations in a closed tube

    Energy Technology Data Exchange (ETDEWEB)

    Ishii, Katsuya [Information Technology Center, Nagoya University, Furou-chou, Chikusa-ku, Nagoya, Aichi 464-8601 (Japan); Kitagawa, Shyun [Department of Computational Science and Engineering, Graduate School of Engineering, Nagoya University, Furou-chou, Chikusa-ku, Nagoya, Aichi 464-8603 (Japan); Ishigaki, Masahiro [Japan Atomic Energy Agency, 2–4 Shirakata-shirane, Tokai-mura, Naka-gun, Ibaraki 319-1195 (Japan); Adachi, Shizuko, E-mail: ishii@cc.nagoya-u.ac.jp [School of Business and Commerce, Tokyo International University, Matoba-kita, Kawagoe-shi, Saitama 350-1197 (Japan)

    2014-12-01

    Spontaneous thermoacoustic oscillations of a gas in a closed cylindrical tube are studied. Numerical simulations of the flow field in the tube on which a temperature gradient along the axis is imposed are performed by solving the axisymmetric compressible Navier–Stokes equations. The wall temperature of the hot part near both ends (300 K) and that of the cold part near the center (20 K) are fixed. The computations are done for various values of the length ratio ξ of the hot part to the cold part between 0.3 and 1.0, and steady oscillatory states are obtained. These states are divided into three groups according to the magnitude of the pressure amplitude. The state in each group has distinguished features of the flow field. We analyze the effect of vortices on the structure of the temperature distribution. The difference of the boundary layer thickness between the hot part and the cold part is shown to play an important role. (paper)

  17. Electrochemical, spectroscopic, and photophysical properties of structurally diverse polyazine-bridged Ru(II),Pt(II) and Os(II),Ru(II),Pt(II) supramolecular motifs.

    Science.gov (United States)

    Knoll, Jessica D; Arachchige, Shamindri M; Wang, Guangbin; Rangan, Krishnan; Miao, Ran; Higgins, Samantha L H; Okyere, Benjamin; Zhao, Meihua; Croasdale, Paul; Magruder, Katherine; Sinclair, Brian; Wall, Candace; Brewer, Karen J

    2011-09-19

    Five new tetrametallic supramolecules of the motif [{(TL)(2)M(dpp)}(2)Ru(BL)PtCl(2)](6+) and three new trimetallic light absorbers [{(TL)(2)M(dpp)}(2)Ru(BL)](6+) (TL = bpy = 2,2'-bipyridine or phen = 1,10-phenanthroline; M = Ru(II) or Os(II); BL = dpp = 2,3-bis(2-pyridyl)pyrazine, dpq = 2,3-bis(2-pyridyl)quinoxaline, or bpm = 2,2'-bipyrimidine) were synthesized and their redox, spectroscopic, and photophysical properties investigated. The tetrametallic complexes couple a Pt(II)-based reactive metal center to Ru and/or Os light absorbers through two different polyazine BL to provide structural diversity and interesting resultant properties. The redox potential of the M(II/III) couple is modulated by M variation, with the terminal Ru(II/III) occurring at 1.58-1.61 V and terminal Os(II/III) couples at 1.07-1.18 V versus Ag/AgCl. [{(TL)(2)M(dpp)}(2)Ru(BL)](PF(6))(6) display terminal M(dπ)-based highest occupied molecular orbitals (HOMOs) with the dpp(π*)-based lowest unoccupied molecular orbital (LUMO) energy relatively unaffected by the nature of BL. The coupling of Pt to the BL results in orbital inversion with localization of the LUMO on the remote BL in the tetrametallic complexes, providing a lowest energy charge separated (CS) state with an oxidized terminal Ru or Os and spatially separated reduced BL. The complexes [{(TL)(2)M(dpp)}(2)Ru(BL)](6+) and [{(TL)(2)M(dpp)}(2)Ru(BL)PtCl(2)](6+) efficiently absorb light throughout the UV and visible regions with intense metal-to-ligand charge transfer (MLCT) transitions in the visible at about 540 nm (M = Ru) and 560 nm (M = Os) (ε ≈ 33,000-42,000 M(-1) cm(-1)) and direct excitation to the spin-forbidden (3)MLCT excited state in the Os complexes about 720 nm. All the trimetallic and tetrametallic Ru-based supramolecular systems emit from the terminal Ru(dπ)→dpp(π*) (3)MLCT state, λ(max)(em) ≈ 750 nm. The tetrametallic systems display complex excited state dynamics with quenching of the (3)MLCT emission at

  18. CO Sensing Performance of a Micro Thermoelectric Gas Sensor with AuPtPd/SnO2 Catalyst and Effects of a Double Catalyst Structure with Pt/α-Al2O3

    Science.gov (United States)

    Goto, Tomoyo; Itoh, Toshio; Akamatsu, Takafumi; Shin, Woosuck

    2015-01-01

    The CO sensing properties of a micro thermoelectric gas sensor (micro-TGS) with a double AuPtPd/SnO2 and Pt/α-Al2O3 catalyst were investigated. While several nanometer sized Pt and Pd particles were uniformly dispersed on SnO2, the Au particles were aggregated as particles measuring >10 nm in diameter. In situ diffuse reflectance Fourier transform Infrared spectroscopy (DRIFT) analysis of the catalyst showed a CO adsorption peak on Pt and Pd, but no clear peak corresponding to the interaction between CO and Au was detected. Up to 200 °C, CO combustion was more temperature dependent than that of H2, while H2 combustion was activated by repeated exposure to H2 gas during the periodic gas test. Selective CO sensing of the micro-TGS against H2 was attempted using a double catalyst structure with 0.3–30 wt% Pt/α-Al2O3 as a counterpart combustion catalyst. The sensor output of the micro-TGS decreased with increasing Pt content in the Pt/α-Al2O3 catalyst, by cancelling out the combustion heat from the AuPtPd/SnO2 catalyst. In addition, the AuPtPd/SnO2 and 0.3 wt% Pt/α-Al2O3 double catalyst sensor showed good and selective CO detection. We therefore demonstrated that our micro-TGS with double catalyst structure is useful for controlling the gas selectivity of CO against H2. PMID:26694397

  19. Study the Polyol Process of Preparing the ru Doped FePt Nanoparticles

    Science.gov (United States)

    Lee, Chih-Hao; Hsu, Jen-Ho; Su, Hui-Chia; Huang, Tzu Wen

    The structure of Ru doped FePt nanoparticles using polyol process was studied. The particle size grown is around 5 nm, and a shell structure might be formed. By selecting the time and temperature of adding the Ru precursors into solution, three different processes to synthesize the FePtRu particles were studied resulting in different growing mechanics. The possible models during the reaction process are also discussed. The phase transition temperature for the as-grown FCC FePt nanoparticle to transform into L10 FePt nanoparticle is about 823 K which is about the same as the one without doping Ru atoms. From the XAS study of each element, the possible scenario is that: although Ru atoms with the size close to the Pt, they do not totally replace the Pt sites in the FePt alloy. Instead, most of Ru formed a shell outside the FePt nanoparticles and Fe atoms are replaced.

  20. Investigation on the structural and nonlinear optical properties of Pt doped TiO2 nanoparticles

    International Nuclear Information System (INIS)

    Rahulan, K. Mani; Padmanathan, N.; Vinitha, G.; Kanakam, Charles Christopher

    2013-01-01

    Graphical abstract: The open aperture Z-scan traces of Pt doped TiO 2 nanoparticles at different Pt concentrations were carried out at an irradiation wavelength of 532 nm. It was numerically found that, two photon absorption (TPA) type process gives the best fit to the obtained open aperture Z-scan data. The nonlinear transmission was found to be of third order as it fits to a two-photon absorption. The optical limiting performances of nanoparticles were greatly enhanced with increased volume ratio of Pt. Increasing particle size reduced the limiting threshold and enhanced the optical limiting performance. - Highlights: • Pt doped TiO 2 nanoparticles with different concentrations of Pt have been synthesized by sol–gel method. • The average fluorescence lifetime decreases as the volume fraction of Pt dopant increases. • The effects of Pt content on the optical limiting property were investigated by open aperture Z-scan measurements done at 532 nm using 5 ns laser pulses. • The values of the third-order nonlinearities of nanoparticles are interesting from the application point of view which could be used as a potential candidate for the application of nonlinear optical device. - Abstract: Pt doped TiO 2 nanoparticles with different concentrations of Pt were prepared by sol–gel method. X-ray diffraction (XRD) study reveals that the samples have a homogeneous anatase phase tetragonal system and the lattice parameter analysis indicates that Pt ions substitute into the lattice of TiO 2 . The addition of dopant increases the growth of TiO 2 grains, agglomerates them and shifts the absorption band of TiO 2 from ultraviolet to visible region. The incorporation of Pt in TiO 2 is also confirmed by fluorescence quenching and the fluorescence lifetime decreases as the volume fraction of Pt dopant increases. Open aperture Z-scan measurements done at 532 nm using 7 ns laser pulses show nonlinear absorption which arises from an effective two photon absorption process

  1. Reaction between ethylenediamine and acetone on a platinum(II) complex. Crystal structure of [PtCl(en)(PBu3)][PtCl(ien)(PBu3)]Cl2 x CH3COCH3

    International Nuclear Information System (INIS)

    Kozelka, J.; Bois, C.

    1988-01-01

    The synthesis of [PtCl(en)(PBu 3 )][PtCl(ien)(PBu 3 )]Cl 2 CH 3 COCH 3 (en = ethylenediamine and ien = N-iso-propylideneethylenediamine) is reported herein. The crystal structure of the compound determined by x-ray absorption analysis and 1 H and 31 P NMR spectral data of the compound are reported. 11 references, 2 figures, 3 tables

  2. Crystal structure and physical properties of CePt{sub 2.4}Al{sub 0.6}

    Energy Technology Data Exchange (ETDEWEB)

    Provino, A., E-mail: alessia.sting@gmail.com [Department of Chemistry, University of Genova, Via Dodecaneso 31, 16146 Genova (Italy); Institute SPIN-CNR, Corso Perrone 24, 16152 Genova (Italy); Bhattacharyya, A. [Department of Condensed Matter Physics and Materials Science, Tata Institute of Fundamental Research, Colaba, Mumbai 400005 (India); Science and Technology Facilities Council, Rutherford Appleton Laboratory, Excitations and Polarized Neutrons Group, Harwell Oxford, Didcot OX11 0QX (United Kingdom); Negretti, L. [Department of Chemistry, University of Genova, Via Dodecaneso 31, 16146 Genova (Italy); Kulkarni, R.; Thamizhavel, A.; Dhar, S.K. [Department of Condensed Matter Physics and Materials Science, Tata Institute of Fundamental Research, Colaba, Mumbai 400005 (India)

    2015-02-15

    Highlights: • New CePt{sub 2.4}Al{sub 0.6} compound crystallizes in the hexagonal CeNi{sub 3}-type (hP24, P6{sub 3}/mmc). • This crystal structure is a nearly ordered ternary derivative of CeNi{sub 3} prototype. • CePt{sub 2.4}Al{sub 0.6} compound orders ferromagnetically at 1.6 K; Ce ions in trivalent state. • Magnetization, electrical resistivity, low-T heat capacity have been measured. • Negative magnetoresistivity below ∼15 K shows short-range FM in paramagnetic state. - Abstract: The new compound CePt{sub 2.4}Al{sub 0.6} crystallizes in the hexagonal CeNi{sub 3}-type (hP24, space group P6{sub 3}/mmc, N. 194), with lattice parameters a = 5.5203(3) Å and c = 16.886(1) Å; its crystal structure represents a nearly ordered ternary derivative of this prototype. The cerium ions in CePt{sub 2.4}Al{sub 0.6} are in the normal trivalent state and order magnetically near 1.6 K as inferred from the low temperature heat capacity. The magnetic ordering is presumably ferromagnetic as suggested by the behavior of heat capacity in applied magnetic fields. The magnetoresistivity below ∼15 K is negative and is tentatively attributed to the presence of ferromagnetic short range order in the paramagnetic state.

  3. Crystal structure and physical properties of new Ca{sub 2}TGe{sub 3} (T = Pd and Pt) germanides

    Energy Technology Data Exchange (ETDEWEB)

    Klimczuk, T., E-mail: tomasz.klimczuk@pg.gda.pl [Faculty of Applied Physics and Mathematics, Gdansk University of Technology, Narutowicza 11/12, 80–233 Gdansk (Poland); Xie, Weiwei [Department of Chemistry, Princeton University, Princeton, NJ 08544 (United States); Winiarski, M.J.; Kozioł, R.; Litzbarski, L.S. [Faculty of Applied Physics and Mathematics, Gdansk University of Technology, Narutowicza 11/12, 80–233 Gdansk (Poland); Luo, Huixia; Cava, R.J. [Department of Chemistry, Princeton University, Princeton, NJ 08544 (United States)

    2016-11-15

    The crystallographic, electronic transport and thermal properties of Ca{sub 2}PdGe{sub 3} and Ca{sub 2}PtGe{sub 3} are reported. The compounds crystalize in an ordered variant of the AlB{sub 2} crystal structure, in space group P6/mmm, with the lattice parameters a = 8.4876(4) Å/8.4503(5) Å and c = 4.1911(3) Å/4.2302(3) Å for Ca{sub 2}PdGe{sub 3} and Ca{sub 2}PtGe{sub 3}, respectively. The resistivity data exhibit metallic behavior with residual-resistivity-ratios (RRR) of 13 for Ca{sub 2}PdGe{sub 3} and 6.5 for Ca{sub 2}PtGe{sub 3}. No superconducting transition is observed down to 0.4 K. Specific heat studies reveal similar values of the Debye temperatures and Sommerfeld coefficients: Θ{sub D} = 298 K, γ = 4.1 mJ mol{sup −1} K{sup −2} and Θ{sub D} = 305 K, γ = 3.2 mJ mol{sup −1} K{sup −2} for Ca{sub 2}PdGe{sub 3} and Ca{sub 2}PtGe{sub 3}, respectively. The low value of γ is in agreement with the electronic structure calculations.

  4. A theoretical investigation of the structural and electronic properties of 55-atom nanoclusters: The examples of Y-Tc and Pt.

    Science.gov (United States)

    Batista, Krys E A; Piotrowski, Maurício J; Chaves, Anderson S; Da Silva, Juarez L F

    2016-02-07

    Several studies have found that the Pt55 nanocluster adopts a distorted reduced core structure, DRC55, in which there are 8-11 atoms in the core and 47-44 atoms in the surface, instead of the compact and high-symmetry icosahedron structure, ICO55, with 13 and 42 atoms in the core and surface, respectively. The DRC structure has also been obtained as the putative global minimum configuration (GMC) for the Zn55 (3d), Cd55 (4d), and Au55 (5d) systems. Thus, the DRC55 structure has been reported only for systems with a large occupation of the d-states, where the effects of the occupation of the valence anti-bonding d-states might play an important role. Can we observe the DRC structure for 55-atom transition-metal systems with non-occupation of the anti-bonding d-states? To address this question, we performed a theoretical investigation of the Y 55, Zr55, Nb55, Mo55, Tc55, and Pt55 nanoclusters, employing density functional theory calculations. For the putative GMCs, we found that the Y 55 adopts the ICO55 structure, while Nb55 and Mo55 adopt a bulk-like fragment based on the hexagonal close-packed structure and Tc55 adopts a face-centered cubic fragment; however, Zr55 adopts a DRC55 structure, like Zn55, Cd55, Pt55, and Au55. Thus we can conclude that the preference for DRC55 structure is not related to the occupation of the anti-bonding d-states, but to a different effect, in fact, a combination of structural and electronic effects. Furthermore, we obtained that the binding energy per atom follows the occupation of the bonding and anti-bonding model, i.e., the stability of the studied systems increases from Y to Tc with a small oscillation for Mo, which also explains the equilibrium bond lengths. We obtained a larger magnetic moment for Y 55 (31 μB) which can be explained by the localization of the d-states in Y at nanoscale, which is not observed for the remaining systems (0-1 μB).

  5. A theoretical investigation of the structural and electronic properties of 55-atom nanoclusters: The examples of Y–Tc and Pt

    Energy Technology Data Exchange (ETDEWEB)

    Batista, Krys E. A.; Piotrowski, Maurício J., E-mail: mauriciomjp@gmail.com [Department of Physics, Federal University of Pelotas, P.O. Box 354, 96010 − 900, Pelotas, RS (Brazil); Chaves, Anderson S.; Da Silva, Juarez L. F., E-mail: juarez-dasilva@iqsc.usp.br [São Carlos Institute of Chemistry, University of São Paulo, P.O. Box 780, 13560 − 970, São Carlos, SP (Brazil)

    2016-02-07

    Several studies have found that the Pt{sub 55} nanocluster adopts a distorted reduced core structure, DRC{sub 55}, in which there are 8–11 atoms in the core and 47–44 atoms in the surface, instead of the compact and high-symmetry icosahedron structure, ICO{sub 55}, with 13 and 42 atoms in the core and surface, respectively. The DRC structure has also been obtained as the putative global minimum configuration (GMC) for the Zn{sub 55} (3d), Cd{sub 55} (4d), and Au{sub 55} (5d) systems. Thus, the DRC{sub 55} structure has been reported only for systems with a large occupation of the d-states, where the effects of the occupation of the valence anti-bonding d-states might play an important role. Can we observe the DRC structure for 55-atom transition-metal systems with non-occupation of the anti-bonding d-states? To address this question, we performed a theoretical investigation of the Y {sub 55}, Zr{sub 55}, Nb{sub 55}, Mo{sub 55}, Tc{sub 55}, and Pt{sub 55} nanoclusters, employing density functional theory calculations. For the putative GMCs, we found that the Y {sub 55} adopts the ICO{sub 55} structure, while Nb{sub 55} and Mo{sub 55} adopt a bulk-like fragment based on the hexagonal close-packed structure and Tc{sub 55} adopts a face-centered cubic fragment; however, Zr{sub 55} adopts a DRC{sub 55} structure, like Zn{sub 55}, Cd{sub 55}, Pt{sub 55}, and Au{sub 55}. Thus we can conclude that the preference for DRC{sub 55} structure is not related to the occupation of the anti-bonding d-states, but to a different effect, in fact, a combination of structural and electronic effects. Furthermore, we obtained that the binding energy per atom follows the occupation of the bonding and anti-bonding model, i.e., the stability of the studied systems increases from Y to Tc with a small oscillation for Mo, which also explains the equilibrium bond lengths. We obtained a larger magnetic moment for Y {sub 55} (31 μ{sub B}) which can be explained by the localization of the d

  6. Close monitoring as a contextual stimulator : How need for structure affects the relation between close monitoring and work outcomes

    NARCIS (Netherlands)

    Rietzschel, Eric F.; Slijkhuis, Marjette; Van Yperen, Nico W.

    2014-01-01

    In this article, we argue and demonstrate that employees' Personal Need for Structure (PNS) moderates the negative effects of close monitoring on job satisfaction, intrinsic work motivation, and innovative job performance (as rated by their supervisors). In a field study (N=295), we found that

  7. Au-Pt-Au nanoraspberry structures used for mercury ion detection

    Science.gov (United States)

    Huang, Jiang-Hao; Huang, Shuai; Wen, Xiaoyan; Li, Min; Lu, Haifei

    2017-12-01

    Detection of Hg2+ with high sensitivity is of great significance in the biochemical sensing field. Quantitative of Hg2+ was realized based on the influence of Hg2+ on the UV-vis absorption performance of Au-Pt-Au core-shell nanoraspberry (APA)-rhodamine-6G (R6G) structure. First, APA sol was added into R6G indicator solution and the UV-vis absorption signal intensity of R6G was evidently promoted. The signal intensity monotonously increased as more APA sol was added. However, when HgCl2 solution was introduced, the signal intensity declined. A linear relationship between Hg2+ concentration and signal intensity at 527 nm was revealed, based on which quantitative determination of Hg2+ could be realized. Hg2+ detection sensitivity was measured to be 0.031 a.u./M with a limit of detection of 10-7 M and the response time was 20 s. A high Hg2+ detection selectivity over Cu2+, Na+, Li+, and K+ was demonstrated. Due to its simplicity and high sensitivity, the proposed method could find an extensive application prospect in the Hg2+ detection field.

  8. Z-Contrast STEM Imaging of Long-Range Ordered Structures in Epitaxially Grown CoPt Nanoparticles

    Directory of Open Access Journals (Sweden)

    Kazuhisa Sato

    2013-01-01

    Full Text Available We report on atomic structure imaging of epitaxial L10 CoPt nanoparticles using chemically sensitive high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM. Highly ordered nanoparticles formed by annealing at 973 K show single-variant structure with perpendicular c-axis orientation, while multivariant ordered domains are frequently observed for specimens annealed at 873 K. It was found that the (001 facets of the multivariant particles are terminated by Co atoms rather than by Pt, presumably due to the intermediate stage of atomic ordering. Coexistence of single-variant particles and multivariant particles in the same specimen film suggests that the interfacial energy between variant domains be small enough to form such structural domains in a nanoparticle as small as 4 nm in diameter.

  9. Structural and Pharmacological Effects of Ring-Closing Metathesis in Peptides

    Directory of Open Access Journals (Sweden)

    Pål Rongved

    2010-09-01

    Full Text Available Applications of ring-closing alkene metathesis (RCM in acyclic α- and β-peptides and closely related systems are reviewed, with a special emphasis on the structural and pharmacological effects of cyclization by RCM.

  10. Effects of composition on structure and activity of PtRu/C catalysts.

    Science.gov (United States)

    Wiltshire, Richard J K; King, Colin R; Rose, Abigail; Wells, Peter P; Davies, Hazel; Hogarth, Martin P; Thompsett, David; Theobald, Brian; Mosselmans, Fredrick W; Roberts, Mark; Russell, Andrea E

    2009-04-07

    A series of carbon supported PtRu bimetallic catalysts with varying Pt:Ru ratio were prepared and characterised using ex situ and in situ XRD, in situ EXAFS at 0 V vs. RHE, ex situ XPS and monolayer CO stripping voltammetry. Although the catalysts were found to be well mixed/alloyed, with no evidence of unalloyed Ru (oxides) present, the surfaces of the electrocatalyst nanoparticles were found to be enriched with Pt compared to the nominal bulk composition. The methanol oxidation activities of the catalysts were determined in 1.0 mol dm(-3) H2SO4. In agreement with published studies of polycrystalline bulk PtRu alloys the catalyst with a 0.6 surface fraction of Pt was found to give the best methanol oxidation activity at 30 degrees C. However, at 80 degrees C a greater surface fraction of Ru could be tolerated, with some activity at low current densities found for a Pt surface fraction as low as 0.2. The results support the conclusion that a limited amount of methanol dehydrogenation occurs at Ru sites or Ru dominated surface ensembles at 80 degrees C.

  11. Growth and structure of L1 sub 0 ordered FePt films on GaAs(001)

    CERN Document Server

    Nefedov, A; Theis-Broehl, K; Zabel, H; Doi, M; Schuster, E; Keune, W

    2002-01-01

    The structural properties of epitaxial L1 sub 0 ordered FePt(001) films, grown by molecular beam epitaxy (alternating deposition of Fe and Pt atomic layers) on buffer-Pt/seed-Fe/GaAs(001) have been studied by in situ reflection high-energy electron diffraction and by ex situ x-ray scattering as a function of the growth conditions. Reflection high-energy electron diffraction intensity oscillations measured during FePt layer growth provide evidence for island growth at T sub s = 200 deg. C and quasi layer-by-layer growth at T sub s = 350 deg. C. From small-angle and wide-angle x-ray scattering it was found that the degree of epitaxy depends critically on morphology of the seed layer and the substrate roughness. X-ray diffraction analysis showed that the long-range order parameter increases from near zero for films grown at 200 deg. C to 0.65 for films grown at 350 deg. C. This confirms the fact that the order parameter is mainly determined by the surface mobility of the atoms which is controlled experimentally ...

  12. Infrared spectroscopy of physisorbed and chemisorbed N-2 in the Pt(111)(3x3)N-2 structure

    DEFF Research Database (Denmark)

    Gustafsson, K.; Karlberg, Gustav; Andersson, Sven

    2007-01-01

    Using infrared spectroscopy and low electron energy diffraction, we have investigated the adsorption of N-2, at 30 K, on the Pt(111) and the Pt(111)(1x1)H surfaces. At monolayer coverage, N-2 orders in commensurate (3x3) structures on both surfaces, and we propose that the unit cells contain four...... molecules in each case. The infrared spectra reveal that N-2 exclusively physisorbs on the Pt(111)(1x1)H surface, while both physisorbed and chemisorbed N-2 is detected on the Pt(111) surface. Physisorbed N-2 is the majority species in the latter case, and the two adsorption states show an almost identical...... uptake behavior, which indicates that they are intrinsic constituents of the growing (3x3) N-2 islands. An analysis of the infrared absorbance data, based on a simple scaling concept suggested by density functional theory calculations, supports a model in which the (3x3) unit cell contains one...

  13. Hierarchically Structured Co3O4@Pt@MnO2 Nanowire Arrays for High-Performance Supercapacitors

    Science.gov (United States)

    Xia, Hui; Zhu, Dongdong; Luo, Zhentao; Yu, Yue; Shi, Xiaoqin; Yuan, Guoliang; Xie, Jianping

    2013-10-01

    Here we proposed a novel architectural design of a ternary MnO2-based electrode - a hierarchical Co3O4@Pt@MnO2 core-shell-shell structure, where the complemental features of the three key components (a well-defined Co3O4 nanowire array on the conductive Ti substrate, an ultrathin layer of small Pt nanoparticles, and a thin layer of MnO2 nanoflakes) are strategically combined into a single entity to synergize and construct a high-performance electrode for supercapacitors. Owing to the high conductivity of the well-defined Co3O4 nanowire arrays, in which the conductivity was further enhanced by a thin metal (Pt) coating layer, in combination with the large surface area provided by the small MnO2 nanoflakes, the as-fabricated Co3O4@Pt@MnO2 nanowire arrays have exhibited high specific capacitances, good rate capability, and excellent cycling stability. The architectural design demonstrated in this study provides a new approach to fabricate high-performance MnO2-based nanowire arrays for constructing next-generation supercapacitors.

  14. Structure and electrical properties of Pb(ZrxTi1-x)O3 deposited on textured Pt thin films

    International Nuclear Information System (INIS)

    Hong, Jongin; Song, Han Wook; Lee, Hee Chul; Lee, Won Jong; No, Kwangsoo

    2001-01-01

    The texturing of the bottom electrode plays a key role in the structure and electrical properties of Pb(Zr,Ti)O 3 (PZT) thin films. We fabricated Pt bottom electrodes having a different thickness on MgO single crystals at 600 o C by rf magnetron sputtering. As the thickness of platinum (Pt) thin film increased, the preferred orientation of Pt thin film changed from (200) to (111). PZT thin films were fabricated at 450 o C by electron cyclotron resonance-plasma enhanced metal organic chemical vapor deposition on the textured Pt thin films. The texturing of the bottom electrode caused drastic changes in the C--V characteristics, P--E characteristics, and fatigue characteristics of metal/ferroelectric material/metal (MFM) capacitors. The difference of the electrical properties between the PZT thin films having different texturing was discussed in terms-of the x--y alignment and the interface between electrode and PZT in MFM capacitors. copyright 2001 American Institute of Physics

  15. Er{sub 1.33}Pt{sub 3}Ga{sub 8}: A modulated variant of the Er{sub 4}Pt{sub 9}Al{sub 24}-structure type

    Energy Technology Data Exchange (ETDEWEB)

    Oswald, Iain W.H. [Department of Chemistry and Biochemistry, University of Texas at Dallas, Richardson, TX 75080 (United States); Gourdon, Olivier [Research and Development, ZS Pharma, Coppell, TX 75109 (United States); Bekins, Amy; Evans, Jess [Department of Chemistry and Biochemistry, University of Texas at Arlington, Arlington, TX 76019 (United States); Treadwell, LaRico J. [Department of Chemistry and Biochemistry, University of Texas at Dallas, Richardson, TX 75080 (United States); Chan, Julia Y., E-mail: Julia.Chan@utdallas.edu [Department of Chemistry and Biochemistry, University of Texas at Dallas, Richardson, TX 75080 (United States); Macaluso, Robin T., E-mail: robin.macaluso@uta.edu [Department of Chemistry and Biochemistry, University of Texas at Arlington, Arlington, TX 76019 (United States); Department of Chemistry and Biochemistry, University of Northern Colorado, Greeley, CO 80639 (United States)

    2016-10-15

    Single crystals of Er{sub 1.33}Pt{sub 3}Ga{sub 8} were synthesized in a molten Ga flux. Er{sub 1.33}Pt{sub 3}Ga{sub 8} can be considered to be a modulated variant of the Er{sub 4}Pt{sub 9}Al{sub 24}-structure type, where the partial occupancies are ordered. Indeed, the presence of weak satellite reflections indicates a complex organization and distribution of the Er and Ga atoms within the [ErGa] slabs. The structure has been solved based on single crystal X-ray diffraction data in the monoclinic superspace group X2/m(0β0)00 with a commensurate modulated vector q=1/3b*. Precession images also indicate diffusion in the perpendicular direction indicating a partial disorder of this arrangement from layer to layer. In addition, Er{sub 1.33}Pt{sub 3}Ga{sub 8} shows antiferromagnetic ordering at T{sub N}~5 K. - Graphical abstract: A precession image of the hk0 zone showing weak, periodic, unindexed reflections indicating modulation and representation of the commensurate [ErGa] layer showing the waving modulated occupation. - Highlights: • Single crystals of Er{sub 1.33}Pt{sub 3}Ga{sub 8} were grown from gallium flux. • The structure of Er{sub 1.33}Pt{sub 3}Ga{sub 8} is compared to Er{sub 4}Pt{sub 9}Al{sub 24}. • Structure has been solved in the monoclinic superspace group X2/m(0β0)00 with a commensurate modulated vector q=1/3b*.

  16. First-principles study on the phase transition, elastic properties and electronic structure of Pt{sub 3}Al alloys under high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Yanjun [Key Laboratory of Oil and Gas Equipment of Ministry of Education, Southwest Petroleum University, Chengdu, Sichuan 610500 (China); Huang, Huawei [National Key Laboratory for Nuclear Fuel and Materials, Nuclear Power of China, Chengdu, Sichuan 610041 (China); Pan, Yong, E-mail: yongpanyn@163.com [State Key Laboratory of Advanced Technologies for Comprehensive Utilization of Platinum Metals, Kunming 650106 (China); Zhao, Guanghui; Liang, Zheng [Key Laboratory of Oil and Gas Equipment of Ministry of Education, Southwest Petroleum University, Chengdu, Sichuan 610500 (China)

    2014-06-01

    Highlights: • The phase transition of Pt{sub 3}Al alloys occurs at 60 GPa. • The elastic modulus of Pt{sub 3}Al alloys increase with increasing pressure. • The cubic structure has good resistance to volume deformation under high pressure. • The pressure enhances the hybridization between Pt atom and Al atom. - Abstract: The phase transition, formation enthalpies, elastic properties and electronic structure of Pt{sub 3}Al alloys are studied using first-principle approach. The calculated results show that the pressure leads to phase transition from tetragonal structure to cubic structure at 60 GPa. With increasing pressure, the elastic constants, bulk modulus and shear modulus of these Pt{sub 3}Al alloys increase linearly and the bond lengths of Pt–Al metallic bonds and the peak at E{sub F} decrease. The cubic Pt{sub 3}Al alloy has excellent resistance to volume deformation under high pressure. We suggest that the phase transition is derived from the hybridization between Pt and Al atoms for cubic structure is stronger than that of tetragonal structure and forms the strong Pt–Al metallic bonds under high pressure.

  17. First-principles study on the phase transition, elastic properties and electronic structure of Pt3Al alloys under high pressure

    International Nuclear Information System (INIS)

    Liu, Yanjun; Huang, Huawei; Pan, Yong; Zhao, Guanghui; Liang, Zheng

    2014-01-01

    Highlights: • The phase transition of Pt 3 Al alloys occurs at 60 GPa. • The elastic modulus of Pt 3 Al alloys increase with increasing pressure. • The cubic structure has good resistance to volume deformation under high pressure. • The pressure enhances the hybridization between Pt atom and Al atom. - Abstract: The phase transition, formation enthalpies, elastic properties and electronic structure of Pt 3 Al alloys are studied using first-principle approach. The calculated results show that the pressure leads to phase transition from tetragonal structure to cubic structure at 60 GPa. With increasing pressure, the elastic constants, bulk modulus and shear modulus of these Pt 3 Al alloys increase linearly and the bond lengths of Pt–Al metallic bonds and the peak at E F decrease. The cubic Pt 3 Al alloy has excellent resistance to volume deformation under high pressure. We suggest that the phase transition is derived from the hybridization between Pt and Al atoms for cubic structure is stronger than that of tetragonal structure and forms the strong Pt–Al metallic bonds under high pressure

  18. New fractal structures for frequencies close to the visible range

    DEFF Research Database (Denmark)

    Malureanu, Radu; Sandru, A.; Andryieuski, Andrei

    2011-01-01

    In this paper we present a new type of fractal resonator to be used in the red/NIR region of the spectra. The structure presents high-transmission band in 795-825nm range. The stop band is in the 683-731 nm range. Due to the huge difference in the spectra within such a short range, the structure...

  19. Initial stages of Pt(111) electrooxidation: dynamic and structural studies by surface X-ray diffraction

    International Nuclear Information System (INIS)

    Drnec, Jakub; Ruge, Martin; Reikowski, Finn; Rahn, Björn; Carlà, Francesco; Felici, Roberto; Stettner, Jochim; Magnussen, Olaf M.; Harrington, David A.

    2017-01-01

    In-situ surface X-ray diffraction is used to characterize the surface oxides on a Pt(111) surface in 0.1 M HClO 4 . Detailed analysis at two potentials confirms that the surface restructuring in the initial oxidation stages is consistent with a place exchange process between Pt and O atoms, and the exchanged Pt atoms are located above their original positions in the Pt(111) lattice. The (1,1,1.5) reflection is used to dynamically study the surface during cyclic voltammetry. The restructuring associated with the place exchange initiates with the CV peak at 1.05 V, even though multiple cycles to 1.17 V lead to no changes in the CV. The restructuring is reversible below a critical coverage of place exchanged Pt atoms, which we estimate to be between 0.07 and 0.15 ML. Extensive cycling to potentials higher or equal to 1.17 V leads to progressive disordering of the surface.

  20. Crystal structure of a novel cerium indide Ce{sub 6}Pt{sub 11}In{sub 14}

    Energy Technology Data Exchange (ETDEWEB)

    Stepien-Damm, J.; Bukowski, Z.; Zaremba, V.I.; Pikul, A.P.; Kaczorowski, D

    2004-10-06

    The crystal structure of a new intermetallic compound Ce{sub 6}Pt{sub 11}In{sub 14} has been determined from single crystal X-ray data and was refined by a full-matrix least-squares method down to R{sub 1}=0.0497 for 1215 structure factors and 96 parameters. The unit cell is monoclinic, space group C2/m, Z=2 with the lattice parameters: a=22.729(5) A, b=4.3960(10) A, c=14.780(3) A and {beta}=118.35(3) deg. . It represents a new type of crystal structure of intermetallic compounds.

  1. Structural, Electronic and Elastic Properties of Heavy Fermion YbTM2 (TM= Ir and Pt) Laves Phase Compounds

    Science.gov (United States)

    Pawar, H.; Shugani, M.; Aynyas, M.; Sanyal, S. P.

    2018-02-01

    The structural, electronic and elastic properties of YbTM2 (TM = Ir and Pt) Laves phase intermetallic compounds which crystallize in cubic (MgCu2-type) structure, have been investigated using ab-initio full potential linearized augmented plane wave (FP-LAPW) method with LDA and LDA+U approximation. The calculated ground state properties such as lattice parameter (a0), bulk modulus (B) and its pressure derivative (B‧) are in good agreement with available experimental and theoretical data. The electronic properties are analyzed from band structures and density of states. Elastic constants are predicted first time for these compounds which obey the stability criteria for cubic system.

  2. Tunable magnetic properties by interfacial manipulation of L1(0)-FePt perpendicular ultrathin film with island-like structures.

    Science.gov (United States)

    Feng, C; Wang, S G; Yang, M Y; Zhang, E; Zhan, Q; Jiang, Y; Li, B H; Yu, G H

    2012-02-01

    Based on interfacial manipulation of the MgO single crystal substrate and non-magnetic AIN compound, a L1(0)-FePt perpendicular ultrathin film with the structure of MgO/FePt-AIN/Ta was designed, prepared, and investigated. The film is comprised of L1(0)-FePt "magnetic islands," which exhibits a perpendicular magnetic anisotropy (PMA), tunable coercivity (Hc), and interparticle exchange coupling (IEC). The MgO substrate promotes PMA of the film because of interfacial control of the FePt lattice orientation. The AIN compound is doped to increase the difference of surface energy between FePt layer and MgO substrate and to suppress the growth of FePt grains, which takes control of island growth mode of FePt atoms. The AIN compound also acts as isolator of L1(0)-FePt islands to pin the sites of FePt domains, resulting in the tunability of Hc and IEC of the films.

  3. Study on Pt-structured anodic alumina catalysts for catalytic combustion of toluene: Effects of competitive adsorbents and competitive impregnation methods

    Science.gov (United States)

    Zhang, Qi; Luan, Hongjuan; Li, Tao; Wu, Yongqiang; Ni, Yanhui

    2016-01-01

    Novel competitive impregnation methods were used to prepare high dispersion Pt-structured anodic alumina catalysts. It is found that competitive adsorbents owning different acidity result in different Pt loading amount and also exert great effects on Pt distribution, particle size and redox ability. The suitable adsorption ability of lactic acid led to its best activity for catalytic combustion of toluene. Co-competitive and pre-competitive impregnation methods were also compared and the mechanisms of two competitive methods were proposed. Co-competitive impregnation made Pt distribute more uniformly through pore channels and resulted in better catalytic activity, because of the weaker spatial constraint effect of lactic acid. Furthermore, the optimized Pt-structured anodic alumina catalyst also showed a good chlorine-resistance under moisture atmosphere, because water could promote the reaction of dichloromethane (DCM) transformation and clean chloride by-products to release more active sites.

  4. Suppression of slow capacitance relaxation phenomenon in Pt/Ba0.3Sr0.7TiO3/Pt thin film ferroelectric structures by annealing in oxygen atmosphere

    KAUST Repository

    Altynnikov, A. G.

    2014-01-27

    The impact of oxygen annealing on the switching time of ferroelectric thin film capacitor structures Pt/Ba0.3Sr0.7TiO3/Pt was investigated. The response of their capacitance on pulsed control voltages before and after annealing was experimentally measured. It was demonstrated that the annealing results in suppression of the capacitance slow relaxation processes and increase of the threshold control voltages. These structures can therefore be attractive for fabrication of fast acting microwave devices. © 2014 Author(s).

  5. Obtaining and characterizing the binary compound Zr3Pt

    International Nuclear Information System (INIS)

    Tanoni, Diego; Arico, Sergio F; Alonso, Paula R

    2006-01-01

    The equilibrium phases in the Zr - Pt binary system are not fully defined. Experiences carried out from 0% to 50% at. Pt in the equilibrium diagram of Zr-Pt phases in 2001 revealed the presence of the intermetallic compounds Zr 2 Pt, Zr 5 Pt 3 , ZrPt (already previously identified by other authors) and a compound of 25% composition at Pt with an unidentified crystalline structure. This experimental work aims to fill out the information on this compound by characterizing its crystallography. An alloy was produced in the binary system Zr-Pt with a composition close to the stoichiometry by casting in an arc furnace, and was studied by optic and electronic metallography. The identification and crystallographic characterization of the phase is based on measurements of composition in electronic microwave and on analysis of spectrums obtained by X-ray diffraction. The results are presented, showing the presence in the cast structure of the solid solution zircon phases (hexagonal) and of the inter-metallic compound Zr 5 Pt 3 . These two phases were identified in the X-ray diffraction diagrams as well as the presence of other reflections that are associated with the inter-metallic Zr 3 Pt. The measurements of composition consistently reveal the presence of a phase of 25%at Pt composition. The structure's morphology shown in metallographies reveals the occurrence of a eutectic type transformation during cooling. We conclude that the formation of the phase sought in a composition 25 % at Pt should occur at temperatures below the eutectic transformation, and could be a peritectoid formation as was previously proposed. Therefore, the sample needs to be homogenized with thermal treatments that favor the formation and stabilization of the compound (CW)

  6. DFT calculations of strain and interface effects on electronic structures and magnetic properties of L10-FePt/Ag heterojunction of GMR applications

    Science.gov (United States)

    Pramchu, Sittichain; Jaroenjittichai, Atchara Punya; Laosiritaworn, Yongyut

    2018-03-01

    In this work, density functional theory (DFT) was employed to investigate the effect of strain and interface on electronic structures and magnetic properties of L10-FePt/Ag heterojunction. Two possible interface structures of L10-FePt(001)/Ag(001), that is, interface between Fe and Ag layers (Fe/Ag) and between Pt and Ag layers (Pt/Ag), were inspected. It was found that Pt/Ag interface is more stable than Fe/Ag interface due to its lower formation energy. Further, under the lattice mismatch induced tensile strain, the enhancement of magnetism for both Fe/Ag and Pt/Ag interface structures has been found to have progressed, though the magnetic moments of "interfacial" Fe and Pt atoms have been found to have decreased. To explain this further, the local density of states (LDOS) analysis suggests that interaction between Fe (Pt) and Ag near Fe/Ag (Pt/Ag) interface leads to spin symmetry breaking of the Ag atom and hence induces magnetism magnitude. In contrast, the magnetic moments of interfacial Fe and Pt atoms reduce because of the increase in the electronic states near the Fermi level of the minority-spin electrons. In addition, the significant enhancements of the LDOS near the Fermi levels of the minority-spin electrons signify the boosting of the transport properties of the minority-spin electrons and hence the spin-dependent electron transport at this ferromagnet/metal interface. From this work, it is expected that this clarification of the interfacial magnetism may inspire new innovation on how to improve spin-dependent electron transport for enhancing the giant magnetoresistance (GMR) ratio of potential GMR-based spintronic devices.

  7. DFT calculations of strain and interface effects on electronic structures and magnetic properties of L10-FePt/Ag heterojunction of GMR applications

    Directory of Open Access Journals (Sweden)

    Sittichain Pramchu

    2018-03-01

    Full Text Available In this work, density functional theory (DFT was employed to investigate the effect of strain and interface on electronic structures and magnetic properties of L10-FePt/Ag heterojunction. Two possible interface structures of L10-FePt(001/Ag(001, that is, interface between Fe and Ag layers (Fe/Ag and between Pt and Ag layers (Pt/Ag, were inspected. It was found that Pt/Ag interface is more stable than Fe/Ag interface due to its lower formation energy. Further, under the lattice mismatch induced tensile strain, the enhancement of magnetism for both Fe/Ag and Pt/Ag interface structures has been found to have progressed, though the magnetic moments of “interfacial” Fe and Pt atoms have been found to have decreased. To explain this further, the local density of states (LDOS analysis suggests that interaction between Fe (Pt and Ag near Fe/Ag (Pt/Ag interface leads to spin symmetry breaking of the Ag atom and hence induces magnetism magnitude. In contrast, the magnetic moments of interfacial Fe and Pt atoms reduce because of the increase in the electronic states near the Fermi level of the minority-spin electrons. In addition, the significant enhancements of the LDOS near the Fermi levels of the minority-spin electrons signify the boosting of the transport properties of the minority-spin electrons and hence the spin-dependent electron transport at this ferromagnet/metal interface. From this work, it is expected that this clarification of the interfacial magnetism may inspire new innovation on how to improve spin-dependent electron transport for enhancing the giant magnetoresistance (GMR ratio of potential GMR-based spintronic devices.

  8. Structural and magnetic properties of CoO-Pt core-shell nanoparticles

    Czech Academy of Sciences Publication Activity Database

    Zeleňáková, A.; Zeleňák, V.; Michalik, Štefan; Kováč, J.; Meisel, M. W.

    2014-01-01

    Roč. 89, č. 10 (2014), "104417-1"-"104417-10" ISSN 1098-0121 Institutional support: RVO:68378271 Keywords : CoO-Pt core shell nanoparticles * superparamagnetism * superspin glass state * x-ray diffraction * x-ray absorption spectroscopy Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders Impact factor: 3.736, year: 2014

  9. Oxygen adsorption on Pt(110)-(1x2): new high-coverage structures

    DEFF Research Database (Denmark)

    Helveg, Stig; Lorensen, Henrik Qvist; Horch, Sebastian

    1999-01-01

    From an interplay between scanning tunneling microscopy (STM) experiments and density functional theory (DFT) calculations, a comprehensive picture is obtained for oxygen adsorption on the Pt(110)-(1 x 2) surface, from single isolated oxygen atoms chemisorbed in FCC sites along the platinum ridges...... adsorption and platinum lattice distortions. (C) 1999 Elsevier Science B.V. All rights reserved....

  10. The close-packed triple helix as a possible new structural motif for collagen

    DEFF Research Database (Denmark)

    Bohr, Jakob; Olsen, Kasper

    2010-01-01

    that close packing form the underlying principle behind the structure of collagen, and the implications of this suggestion are considered. Further, it is shown that the unique zero-twist structure with no strain-twist coupling is practically identical to the close-packed triple helix. Some...

  11. Core-shell structural nanodiamond@TiN supported Pt nanoparticles as a highly efficient and stable electrocatalyst for direct methanol fuel cells

    International Nuclear Information System (INIS)

    Zhao, Yuling; Wang, Yanhui; Dong, Liang; Zhang, Yan; Huang, Junjie; Zang, Jianbing; Lu, Jing; Xu, Xipeng

    2014-01-01

    Highlights: • Core-shell structural nanodiamond@TiN was used as a novel support for Pt catalysts. • The ND@TiN support possessed a high electrochemical stability than carbon black. • The Pt/ND@TiN showed a higher catalytic activity for MOR and ORR than the Pt/C. • The Pt/ND@TiN demonstrated a much better durability compared with the Pt/C. - Abstract: A novel core-shell support material was designed with nanodiamond (ND) as core possessed excellent stability and TiN as shell improved the conductivity of support. The nano-TiN shell was decorated on the surface of ND by annealing TiO 2 in nitrogen atmosphere, and the obtained ND@TiN was employed to support Pt nanoparticles (NPs). The ND@TiN support and Pt/ND@TiN electrocatalyst were characterized by X-ray diffraction and transmission electron microscopy. ND particles were coated uniformly by the TiN layer and Pt NPs with a mean size of 4.2 nm were highly dispersed on the surface of ND@TiN. The electrochemical results confirmed that the ND@TiN support possessed a much more stability than the carbon black and exhibited a bigger background current density than the ND. The Pt/ND@TiN catalyst showed higher catalytic activity and better stability in methanol oxidation and oxygen reduction reactions compared with the Pt/C and Pt/ND

  12. Structural and electrical characterization of AuPtAlTi ohmic contacts to AlGaN/GaN with varying annealing temperature and Al content

    OpenAIRE

    Fay, Mike W.; Han, Y.; Brown, Paul D.; Harrison, Ian; Hilton, K.P.; Munday, A.; Wallis, D.; Balmer, R.S.; Uren, M.J.; Martin, T.

    2008-01-01

    The effect of varying annealing temperature and Al layer thickness on the structural and electrical characteristics of AuPtAlTi/AlGaN/GaN ohmic contact structures has been systematically investigated. The relationship between annealing temperature, Al content, interfacial microstructure, surface planarity and contact resistance is\\ud examined. In particular, the presence of a detrimental low temperature Pt-Al reaction is identified. This is implicated in both the requirement for a higher Al:T...

  13. Synthesis of Pt@TiO2@CNTs Hierarchical Structure Catalyst by Atomic Layer Deposition and Their Photocatalytic and Photoelectrochemical Activity.

    Science.gov (United States)

    Liao, Shih-Yun; Yang, Ya-Chu; Huang, Sheng-Hsin; Gan, Jon-Yiew

    2017-04-29

    Pt@TiO2@CNTs hierarchical structures were prepared by first functionalizing carbon nanotubes (CNTs) with nitric acid at 140 °C. Coating of TiO2 particles on the CNTs at 300 °C was then conducted by atomic layer deposition (ALD). After the TiO2@CNTs structure was fabricated, Pt particles were deposited on the TiO2 surface as co-catalyst by plasma-enhanced ALD. The saturated deposition rates of TiO2 on a-CNTs were 1.5 Å/cycle and 0.4 Å/cycle for substrate-enhanced process and linear process, respectively. The saturated deposition rate of Pt on TiO2 was 0.39 Å/cycle. The photocatalytic activities of Pt@TiO2@CNTs hierarchical structures were higher than those without Pt co-catalyst. The particle size of Pt on TiO2@CNTs was a key factor to determine the efficiency of methylene blue (MB) degradation. The Pt@TiO2@CNTs of 2.41 ± 0.27 nm exhibited the best efficiency of MB degradation.

  14. Electronic structure of Pt-Co cathode catalysts in membrane electrolyte assembly observed by X-ray absorption fine structure spectroscopy with different probing depth

    International Nuclear Information System (INIS)

    Kobayashi, M.; Hidai, S.; Niwa, H.; Harada, Y.; Oshima, M.; Ofuchi, H.; Nakamori, Y.; Aoki, T.

    2010-01-01

    Electronic structures of Pt-Co cathode and Pt-Ru anode catalysts in membrane electrolyte assemblies (MEAs) for polymer electrolyte fuel cell have been investigated using X-ray absorption near edge structure (XANES) spectroscopy, and the changes of electronic structures accompanied with degradation have been observed by comparison between spectra obtained by fluorescence-yield (FY) and conversion-electron-yield (CEY) methods, probing depths of which are several hundreds μm and ∼100 nm, respectively. The Co K XANES spectra of the as-fabricated MEA show that the Co atoms in the cathode are metallic and oxidized Co ions exist at the interface between the cathode and electrolyte. The spectra of the long-time operated MEA suggest that the oxidation of Co makes progress with degradation of the cathode catalysts. In contrast to the Co K XANES spectra, the line shape of the Ru K XANES spectra is unchanged even after the long-time operation.

  15. Direct imaging of thermally-activated grain-boundary diffusion in Cu/Co/IrMn/Pt exchange-bias structures using atom-probe tomography

    Energy Technology Data Exchange (ETDEWEB)

    Letellier, F.; Lardé, R.; Le Breton, J.-M., E-mail: jean-marie.lebreton@univ-rouen.fr [Groupe de Physique des Matériaux, UMR 6634 CNRS/Université et INSA de Rouen, F-76801 Saint Etienne du Rouvray (France); Lechevallier, L. [Groupe de Physique des Matériaux, UMR 6634 CNRS/Université et INSA de Rouen, F-76801 Saint Etienne du Rouvray (France); Département de GEII, Université de Cergy-Pontoise, F-95031 Cergy-Pontoise (France); Akmaldinov, K. [SPINTEC, Univ. Grenoble-Alpes/CNRS/INAC-CEA, F-38000 Grenoble (France); CROCUS Technology, F-38025 Grenoble (France); Auffret, S.; Dieny, B.; Baltz, V., E-mail: vincent.baltz@cea.fr [SPINTEC, Univ. Grenoble-Alpes/CNRS/INAC-CEA, F-38000 Grenoble (France)

    2014-11-28

    Magnetic devices are often subject to thermal processing steps, such as field cooling to set exchange bias and annealing to crystallize amorphous magnetic electrodes. These processing steps may result in interdiffusion and the subsequent deterioration of magnetic properties. In this study, we investigated thermally-activated diffusion in Cu/Co/IrMn/Pt exchange biased polycrystalline thin-film structures using atom probe tomography. Images taken after annealing at 400 °C for 60 min revealed Mn diffusion into Co grains at the Co/IrMn interface and along Pt grain boundaries for the IrMn/Pt stack, i.e., a Harrison type C regime. Annealing at 500 °C showed further Mn diffusion into Co grains. At the IrMn/Pt interface, annealing at 500 °C led to a type B behavior since Mn diffusion was detected both along Pt grain boundaries and also into Pt grains. The deterioration of the films' exchange bias properties upon annealing was correlated to the observed diffusion. In particular, the topmost Pt capping layer thickness turned out to be crucial since a faster deterioration of the exchange bias properties for thicker caps was observed. This is consistent with the idea that Pt acts as a getter for Mn, drawing Mn out of the IrMn layer.

  16. Colocalization of coilin and nucleolar proteins in Cajal body-like structures of micronucleated PtK2 cells

    Directory of Open Access Journals (Sweden)

    N.P. Silva

    2004-07-01

    Full Text Available Cajal bodies (CB are ubiquitous nuclear structures involved in the biogenesis of small nuclear ribonucleoproteins and show narrow association with the nucleolus. To identify possible relationships between CB and the nucleolus, the localization of coilin, a marker of CB, and of a set of nucleolar proteins was investigated in cultured PtK2 cells undergoing micronucleation. Nocodazol-induced micronucleated cells were examined by double indirect immunofluorescence with antibodies against coilin, fibrillarin, NOR-90/hUBF, RNA polymerase I, PM/Scl, and To/Th. Cells were imaged on a BioRad 1024-UV confocal system attached to a Zeiss Axiovert 100 microscope. Since PtK2 cells possess only one nucleolus organizer region, micronucleated cells presented only one or two micronuclei containing nucleolus. By confocal microscopy we showed that in most micronuclei lacking a typical nucleolus a variable number of round structures were stained by antibodies against fibrillarin, NOR-90/hUBF protein, and coilin. These bodies were regarded as CB-like structures and were not stained by anti-PM/Scl and anti-To/Th antibodies. Anti-RNA polymerase I antibodies also reacted with CB-like structures in some micronuclei lacking nucleolus. The demonstration that a set of proteins involved in RNA/RNP biogenesis, namely coilin, fibrillarin, NOR-90/hUBF, and RNA polymerase I gather in CB-like structures present in nucleoli-devoid micronuclei may contribute to shed some light into the understanding of CB function.

  17. Quantum A∞-structures for open-closed topological strings

    International Nuclear Information System (INIS)

    Herbst, M.

    2006-02-01

    We study factorizations of topological string amplitudes on higher genus Riemann surfaces with multiple boundary components and find quantum A ∞ -relations, which are the higher genus analog of the (classical) A ∞ -relations on the disk. For topological strings with c=3 the quantum A ∞ -relations are trivially satisfied on a single D-brane, whereas in a multiple D-brane configuration they may be used to compute open higher genus amplitudes recursively from disk amplitudes. This can be helpful in open Gromov-Witten theory in order to determine open string higher genus instanton corrections. Finally, we find that the quantum A ∞ -structure cannot quite be recast into a quantum master equation on the open string moduli space. (orig.)

  18. Electronic structure and magnetic ordering of the unconventional antiferromagnet Yb3Pt4

    KAUST Repository

    Schwingenschlögl, Udo

    2009-12-01

    Applying density functional theory within the generalized gradient approximation, we investigate the electronic and magnetic properties of the intermetallic rare-earth system Yb3Pt4. This material recently has been put forward as host for quantum criticality, while details of the magnetic ordering could not be established (Bennett N. C.et al., J. Magn. & Magn. Mater., 321 (2009) 2021). In this context, we investigate the effect of spin-orbit coupling and compare various spin patterns from the energetic point of view, which enables us to determine the electronic ground state of Yb3Pt4. The assumption of an elementary superexchange mechanism yields a magnetic-coupling constant in good agreement with the experimental ordering temperature. Copyright © 2009 EPLA.

  19. Electronic structure and magnetic ordering of the unconventional antiferromagnet Yb3Pt4

    KAUST Repository

    Schwingenschlö gl, Udo; Gó mez, Javier Alexandra M; Grau-Crespo, Ricardo

    2009-01-01

    Applying density functional theory within the generalized gradient approximation, we investigate the electronic and magnetic properties of the intermetallic rare-earth system Yb3Pt4. This material recently has been put forward as host for quantum criticality, while details of the magnetic ordering could not be established (Bennett N. C.et al., J. Magn. & Magn. Mater., 321 (2009) 2021). In this context, we investigate the effect of spin-orbit coupling and compare various spin patterns from the energetic point of view, which enables us to determine the electronic ground state of Yb3Pt4. The assumption of an elementary superexchange mechanism yields a magnetic-coupling constant in good agreement with the experimental ordering temperature. Copyright © 2009 EPLA.

  20. Pt, Co–Pt and Fe–Pt alloy nanoclusters encapsulated in virus capsids

    International Nuclear Information System (INIS)

    Okuda, M; Eloi, J-C; Jones, S E Ward; Schwarzacher, W; Verwegen, M; Cornelissen, J J L M

    2016-01-01

    Nanostructured Pt-based alloys show great promise, not only for catalysis but also in medical and magnetic applications. To extend the properties of this class of materials, we have developed a means of synthesizing Pt and Pt-based alloy nanoclusters in the capsid of a virus. Pure Pt and Pt-alloy nanoclusters are formed through the chemical reduction of [PtCl 4 ] − by NaBH 4 with/without additional metal ions (Co or Fe). The opening and closing of the ion channels in the virus capsid were controlled by changing the pH and ionic strength of the solution. The size of the nanoclusters is limited to 18 nm by the internal diameter of the capsid. Their magnetic properties suggest potential applications in hyperthermia for the Co–Pt and Fe–Pt magnetic alloy nanoclusters. This study introduces a new way to fabricate size-restricted nanoclusters using virus capsid. (paper)

  1. Nano-structured Pd{sub x}Pt{sub 1-x}/Ti anodes prepared by electrodeposition for alcohol electrooxidation

    Energy Technology Data Exchange (ETDEWEB)

    Lu Jinlin; Lu Shanfu; Wang Deli; Yang Meng [School of Mechanical and Aerospace Engineering, Nanyang Technological University, Singapore 639798 (Singapore); Liu Zili [School of Chemistry and Chemical Engineering, Guangzhou University, No. 601 Huangpudadao, Guangzhou 510006, Guangdong (China); Xu Changwei [School of Chemistry and Chemical Engineering, Guangzhou University, No. 601 Huangpudadao, Guangzhou 510006, Guangdong (China)], E-mail: cwxuneuzsu@126.com; Jiang, S.P. [School of Mechanical and Aerospace Engineering, Nanyang Technological University, Singapore 639798 (Singapore)], E-mail: mspjiang@ntu.edu.sg

    2009-09-30

    Nano-structured Pd{sub x}Pt{sub 1-x} (x = 0-1) composite catalysts supported on Ti substrate are successfully prepared by electrodeposition method, and the morphology and phase of the catalysts are analyzed by field emission scanning electron microscope (FE-SEM) and X-ray energy dispersion spectroscopy (EDS). The activity and stability of the Pd{sub x}Pt{sub 1-x}/Ti composite catalysts are assessed for the electrooxidation of alcohols (methanol, ethanol and 2-propanol) in alkaline medium using cyclic voltammetry and chronoamperometry techniques. The results show that the Pd and Pt form Pd{sub x}Pt{sub 1-x} nano-structured composite catalysts, uniformly distributed on the Ti substrate. The electrocatalytic activity and stability of the Pd{sub x}Pt{sub 1-x} nanocatalysts depend strongly on the atomic ratios of Pd and Pt. Among the synthesized catalysts, the Pd{sub 0.8}Pt{sub 0.2}/Ti displays the best catalytic activity and stability for the electrooxidation reaction of alcohols investigated in alkaline medium under conditions in this study, and shows the potential as electrocatalysts for direct alcohol fuel cells.

  2. Synthesis of ultrathin face-centered-cubic Au@Pt and Au@Pd core-shell nanoplates from hexagonal-close-packed Au square sheets

    KAUST Repository

    Fan, Zhanxi; Zhu, Yihan; Huang, Xiao; Han, Yu; Wang, Qingxiao; Liu, Qing; Huang, Ying; Gan, Chee Lip; Zhang, Hua

    2015-01-01

    @Pd rhombic nanoplates, respectively. We believe that these findings will shed new light on the synthesis of novel noble bimetallic nanostructures. Phase change: Ultrathin Au@Pt and Au@Pd core-shell nanoplates were prepared from Au square sheets. A phase

  3. Synaptic characteristics with strong analog potentiation, depression, and short-term to long-term memory transition in a Pt/CeO2/Pt crossbar array structure

    Science.gov (United States)

    Kim, Hyung Jun; Park, Daehoon; Yang, Paul; Beom, Keonwon; Kim, Min Ju; Shin, Chansun; Kang, Chi Jung; Yoon, Tae-Sik

    2018-06-01

    A crossbar array of Pt/CeO2/Pt memristors exhibited the synaptic characteristics such as analog, reversible, and strong resistance change with a ratio of ∼103, corresponding to wide dynamic range of synaptic weight modulation as potentiation and depression with respect to the voltage polarity. In addition, it presented timing-dependent responses such as paired-pulse facilitation and the short-term to long-term memory transition by increasing amplitude, width, and repetition number of voltage pulse and reducing the interval time between pulses. The memory loss with a time was fitted with a stretched exponential relaxation model, revealing the relation of memory stability with the input stimuli strength. The resistance change was further enhanced but its stability got worse as increasing measurement temperature, indicating that the resistance was changed as a result of voltage- and temperature-dependent electrical charging and discharging to alter the energy barrier for charge transport. These detailed synaptic characteristics demonstrated the potential of crossbar array of Pt/CeO2/Pt memristors as artificial synapses in highly connected neuron-synapse network.

  4. The generic geometry of helices and their close-packed structures

    DEFF Research Database (Denmark)

    Olsen, Kasper; Bohr, Jakob

    2010-01-01

    The formation of helices is an ubiquitous phenomenon for molecular structures whether they are biological, organic, or inorganic, in nature. Helical structures have geometrical constraints analogous to close packing of three-dimensional crystal structures. For helical packing the geometrical cons...

  5. A highly order-structured membrane electrode assembly with vertically aligned carbon nanotubes for ultra-low Pt loading PEM fuel cells

    Energy Technology Data Exchange (ETDEWEB)

    Tian, Zhi Qun; Lim, San Hua; Poh, Chee Kok; Lin, Jianyi [Institute of Chemical and Engineering Sciences, 1 Pesek Road, Jurong Island, Singapore 627833 (Singapore); Tang, Zhe; Chua, Daniel [Department of Materials Science and Engineering, National University of Singapore, Singapore 117542 (Singapore); Xia, Zetao [Institute of Materials Research and Engineering, 3 Research Link, Singapore 117602 (Singapore); Luo, Zhiqiang; Shen, Zexiang [Division of Physics and Applied Physics, School of Physical and Mathematical Sciences, Nanyang Technological University, 637371 Singapore (Singapore); Shen, Pei Kang [State Key Laboratory of Optoelectronic Materials and Technologies, and Key Laboratory of Low-carbon Chemistry and Energy Conservation of Guangdong Province, School of Physics and Engineering, Sun Yat-sen University, Guangzhou, 510275 (China); Feng, Yuan Ping [Department of Physics, National University of Singapore, Singapore 117542 (Singapore)

    2011-11-15

    A simple method was developed to prepare ultra-low Pt loading membrane electrode assembly (MEA) using vertically aligned carbon nanotubes (VACNTs) as highly ordered catalyst support for PEM fuel cells application. In the method, VACNTs were directly grown on the cheap household aluminum foil by plasma enhanced chemical vapor deposition (PECVD), using Fe/Co bimetallic catalyst. By depositing a Pt thin layer on VACNTs/Al and subsequent hot pressing, Pt/VACNTs can be 100% transferred from Al foil onto polymer electrolyte membrane for the fabrication of MEA. The whole transfer process does not need any chemical removal and destroy membrane. The PEM fuel cell with the MEA fabricated using this method showed an excellent performance with ultra-low Pt loading down to 35 {mu}g cm{sup -2} which was comparable to that of the commercial Pt catalyst on carbon powder with 400 {mu}g cm{sup -2}. To the best of our knowledge, for the first time, we identified that it is possible to substantially reduce the Pt loading one order by application of order-structured electrode based on VACNTs as Pt catalysts support, compared with the traditional random electrode at a comparable performance through experimental and mathematical methods. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  6. Effects of deposition temperature and in-situ annealing time on structure and magnetic properties of (001) orientation FePt films

    International Nuclear Information System (INIS)

    Yu, Yongsheng; George, T.A.; Li, Haibo; Sun, Daqian; Ren, Zhenan; Sellmyer, D.J.

    2013-01-01

    FePt films were prepared on (100) oriented single crystal MgO substrates at high temperature ranging from 620 until 800 °C and in-situ annealed for different times ranging from 0 to 60 min to obtain ordered FePt films. The structural analysis indicates that FePt films grow epitaxially on MgO (100) substrates. Both increasing deposition temperature and in-situ annealing time enhance the (001) texture and ordering of FePt films. The magnetic analysis shows that these L1 0 FePt films have perpendicular anisotropy and the easy magnetization c-axis is perpendicular to the film plane. Magnetization reversal is controlled by a rotational mechanism. The hard magnetic properties of the films are improved with increasing deposition temperature or in-situ annealing time. - Highlights: ► The paper reports the texture and magnetic evolution of FePt films deposited on MgO substrates. ► Increasing deposition temperature or annealing time enhanced the texture and ordering. ► The magnetic analysis shows L1 0 FePt films have perpendicular anisotropy.

  7. ThPt{sub 3+x}Be (x = 0.08): crystal structure and physical properties

    Energy Technology Data Exchange (ETDEWEB)

    Gumeniuk, Roman [Institut fuer Experimentelle Physik, TU Bergakademie Freiberg (Germany); Max-Planck-Institut fuer Chemische Physik fester Stoffe, Dresden (Germany); Kohout, Miroslav; Schnelle, Walter; Burkhardt, Ulrich; Leithe-Jasper, Andreas [Max-Planck-Institut fuer Chemische Physik fester Stoffe, Dresden (Germany); Zschornak, Matthias [Institut fuer Experimentelle Physik, TU Bergakademie Freiberg (Germany)

    2017-01-03

    ThPt{sub 3+x}Be (x = 0.08) is synthesized by arc melting of a mixture of the elements. It crystallizes with its own type of structure [space group I4/mmm (No. 139), a = 7.7370(4), c = 11.4990(6) Aa], which can be related to the cubic Ru{sub 3}Sn{sub 7} and W{sub 2}Cr{sub 21}C{sub 6} types. Measurements of magnetic susceptibility, electrical resistivity and specific heat indicate ThPt{sub 3+x}Be (x = 0.08) to be a diamagnet [χ{sub 0} = -9.0(3) x 10{sup -6} emu mol{sup -1}] with metallic electrical resistivity, in good agreement with the calculated electronic structure [N(E{sub F}) = 3.2 states eV{sup -1} f.u.{sup -1}]. A chemical bonding analysis was performed by the QTAIM and ELI-D approaches. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  8. Effect of ordering of PtCu₃ nanoparticle structure on the activity and stability for the oxygen reduction reaction.

    Science.gov (United States)

    Hodnik, Nejc; Jeyabharathi, Chinnaiah; Meier, Josef C; Kostka, Alexander; Phani, Kanala L; Rečnik, Aleksander; Bele, Marjan; Hočevar, Stanko; Gaberšček, Miran; Mayrhofer, Karl J J

    2014-07-21

    In this study the performance enhancement effect of structural ordering for the oxygen reduction reaction (ORR) is systematically studied. Two samples of PtCu3 nanoparticles embedded on a graphitic carbon support are carefully prepared with identical initial composition, particle dispersion and size distribution, yet with different degrees of structural ordering. Thus we can eliminate all coinciding effects and unambiguously relate the improved activity of the ORR and more importantly the enhanced stability to the ordered nanostructure. Interestingly, the electrochemically induced morphological changes are common to both ordered and disordered samples. The observed effect could have a groundbreaking impact on the future directions in the rational design of active and stable platinum alloyed ORR catalysts.

  9. LEED crystallography studies of the structure of clean and adsorbate-covered Ir, Pt and Rh crystal surfaces

    International Nuclear Information System (INIS)

    Koestner, R.J.

    1982-08-01

    There have only been a few Low Energy Electron Diffraction (LEED) intensity analyses carried out to determine the structure of molecules adsorbed on metal surfaces; most surface crystallography studies concentrated on the structure of clean unreconstructed or atomic adsorbate-covered transition metal faces. The few molecular adsorption systems already investigated by dynamical LEED are CO on Ni(100), Cu(100) and Pd(100) as well as C 2 H 2 and C 2 H 4 adsorbed on Pt(111). The emphasis of this thesis research has been to extend the applicability of LEED crystallography to the more complicated unit cells found in molecular overlayers on transition metals or in there constructed surfaces of clean transition metals

  10. LEED crystallography studies of the structure of clean and adsorbate-covered Ir, Pt and Rh crystal surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Koestner, R.J.

    1982-08-01

    There have only been a few Low Energy Electron Diffraction (LEED) intensity analyses carried out to determine the structure of molecules adsorbed on metal surfaces; most surface crystallography studies concentrated on the structure of clean unreconstructed or atomic adsorbate-covered transition metal faces. The few molecular adsorption systems already investigated by dynamical LEED are CO on Ni(100), Cu(100) and Pd(100) as well as C/sub 2/H/sub 2/ and C/sub 2/H/sub 4/ adsorbed on Pt(111). The emphasis of this thesis research has been to extend the applicability of LEED crystallography to the more complicated unit cells found in molecular overlayers on transition metals or in there constructed surfaces of clean transition metals.

  11. Stability of Pt{sub n} cluster on free/defective graphene: A first-principles study

    Energy Technology Data Exchange (ETDEWEB)

    Yang, G.M. [College of Physics, Changchun Normal University, Changchun 130032 (China); College of Materials Science and Engineering, Key Laboratory of Automobile Materials of MOE, Jilin University, Changchun 130012 (China); Fan, X.F., E-mail: xffan@jlu.edu.cn [College of Materials Science and Engineering, Key Laboratory of Automobile Materials of MOE, Jilin University, Changchun 130012 (China); Shi, S.; Huang, H.H. [College of Materials Science and Engineering, Key Laboratory of Automobile Materials of MOE, Jilin University, Changchun 130012 (China); Zheng, W.T., E-mail: wtzheng@jlu.edu.cn [College of Materials Science and Engineering, Key Laboratory of Automobile Materials of MOE, Jilin University, Changchun 130012 (China)

    2017-01-15

    Highlights: • The single-vacancy can enhance obviously the adsorption of Pt cluster on graphene. • Pt clusters on defected graphene prefer to adopt the close-packed model, except Pt{sub 13}. • The contact way of Pt{sub n} clusters on single-vacancy changes with the size increasing. - Abstract: With first-principles methods, we investigate the stability of isolated Pt{sub n} clusters from Sutton-Chen model and close-packed model, and their adsorption on defected graphene. The single-vacancy in graphene is found to enhance obviously the adsorption energy of Pt cluster on graphene due to the introduction of localized states near Fermi level. It is found that the close-packed model is more stable than Sutton-Chen model for the adsorption of Pt{sub n} cluster on single-vacancy graphene, except the magic number n = 13. The cluster Pt{sub 13} may be the richest one for small Pt clusters on defected graphene due to the strong adsorption on single-vacancy. The larger cluster adsorbed on defected graphene is predicted with the close-packed crystal structure. The charge is found to transfer from the Pt atom/cluster to graphene with the charge accumulation at the interface and the charge polarization on Pt cluster. The strong interaction between Pt cluster and single vacancy can anchor effectively the Pt nanoparticles on graphene and is also expected that the new states introduced near Fermi level can enhance the catalytic characteristic of Pt cluster.

  12. Structural and catalytic characterization of mechanical mixtures of Pt/WOx-ZrO2 and Al2O3

    International Nuclear Information System (INIS)

    Contreras, J.L.; Fuentes, G.A.; Navarrete, J.; Vazquez, A.; Zeifert, B.; Salmones, J.; Nuno, L.

    2010-01-01

    The effect of the Bronsted/Lewis acid ratio on isomerization of n-heptane using Al 2 O 3 as a source of Lewis acidity and WOx/ZrO 2 as a source of Bronsted and Lewis acidity was studied and controlled using mechanical mixtures of these solids. These mixtures were characterized by surface area, infrared spectroscopy of pyridine, X-ray diffraction and Raman spectroscopy. It was found that the presence of W=O stretching mode which was consistent with the presence of oxotungstate species which were the precursors of the acid sites. It was found out that as the oxotungstate structures increased, the selectivity to n-heptane isomers increased while the hydrocracking and dehydrocyclization selectivity decreased. The presence of Bronsted acidity of the WOx/ZrO 2 domains, the increase of Knudsen diffusivity and the loss of Pt metallic area by strong interaction of the Pt with the WOx/ZrO 2 explain this catalytic behavior.

  13. Structure of Os - Pt nuclei and g factors of 186-192Os isotopes at low spins

    International Nuclear Information System (INIS)

    Ansari, A.

    1987-10-01

    Employing a pairing + quadrupole model interaction, especially suitable for the Os - Pt region, the ground state structure of these nuclei is investigated following a selfconsistent Hartree-Fock-Bogolyubov (HFB) approach. Effects of the inclusion of hexadecapole degrees of freedom in the Hamiltonian are also studied. All the osmium isotopes considered here come out to be prolate in shape in the ground state. 186 Pt is triaxial with γ=12 deg. and with the increasing mass number they gradually go over to the oblate shape at A=190 itself. In view of recent experimental data on g factors of osmium isotopes which show interesting variations as a function of mass number as well as spin, we have calculated these following the methods of variation after exact angular momentum projection of axial HFB wave functions and the cranked HFB theory. The observed trend of the variation of g factor at I=2 with the mass number is reproduced with very minor adjustments of the force constants of the Hamiltonian in both the approaches. However, the variation of g factor with spin, which is sensitive to the interplay between collective and the single particle degrees of freedom, can be understood only in the cranking approach. (author). 52 refs, 8 figs, 6 tabs

  14. Synthesis and structure of Sr{sub 2}Pd{sub 2}In and Sr{sub 2}Pt{sub 2}In

    Energy Technology Data Exchange (ETDEWEB)

    Muts, I. [Inst. fuer Anorganische und Analytische Chemie, Univ. Muenster (Germany); Inorganic Chemistry Dept., Ivan Franko National Univ. of Lviv (Ukraine); Nilges, T.; Rodewald, U.C.; Poettgen, R. [Inst. fuer Anorganische und Analytische Chemie, Univ. Muenster (Germany); Zaremba, V.I. [Inorganic Chemistry Dept., Ivan Franko National Univ. of Lviv (Ukraine)

    2007-12-15

    The new intermetallic compounds Sr{sub 2}Pd{sub 2}In and Sr{sub 2}Pt{sub 2}In were synthesized from the elements in sealed tantalum tubes in a water-cooled sample chamber of an induction furnace. Both indides crystallize with the HT-Pr{sub 2}Co{sub 2}Al-type structure: C2/c, a = 1048.7(2), b = 603.5(2), c = 830.6(1) pm. {beta} = 103.68(2) , wR2 = 0.0492, 743 F{sup 2} values for Sr{sub 2}Pd{sub 2}In; a = 1026.8(2), b = 599.0(1), c = 830.3(2) pm, {beta} = 103.17(1) , wR2 = 0.0666, 885 F{sup 2} values for Sr{sub 2}Pt{sub 2}In with 25 variables per refinement. The shortest interatomic distances occur for the Pd-In (Pt-In) and Pd-Pd (Pt-Pt) contacts. The strontium atoms are embedded in complex three-dimensional polyanionic networks of compositions [Pd{sub 2}In] and [Pt{sub 2}In]. (orig.)

  15. Structural and magnetic properties of Fe{sub 7−n}Pt{sub n} with n = 0, 1, 2, . . . 7, bimetallic clusters

    Energy Technology Data Exchange (ETDEWEB)

    Ponce-Tadeo, A. P.; Morán-López, J. L., E-mail: joseluis.moran@ipicyt.edu.mx [Instituto Potosino de Investigación Científica y Tenológica, División de Materiales Avanzados (Mexico); Ricardo-Chavez, J. L. [Benemérita Universidad Autónoma de Puebla, Laboratorio Nacional de Supercómputo (Mexico)

    2016-11-15

    An exhaustive study of the structural and magnetic properties of Fe{sub 7−n}Pt{sub n} with n = 0, 1, 2, …7, bimetallic clusters is presented. Based on ab initio density functional theory that includes spin-orbit coupling (SOC) and graph theory, the ground state geometry, the local chemical order, and the orbital and spin magnetic moments are calculated. We show how the systems evolves from the 3-d Fe to the quasi-planar Pt clusters. These calculations show that SOC are necessary to describe correctly the composition dependence of the binding energy of these nanoalloys. We observe that the ground state geometries on the Fe rich side resemble the fcc structure adopted by bulk samples. Furthermore, we observe how the spin and orbital magnetic moments depend on the chemical concentration and chemical order. Based on these results, we estimated the magnetic anisotropy energy and found that the largest values correspond to some of the most symmetric structures, Fe{sub 5}Pt{sub 2} and FePt{sub 6}. To determine the degree of non-collinearity, we define an index that shows that in FePt{sub 6} the total magnetic moments, on each atom, are the less collinear.

  16. Emergence of scale-free close-knit friendship structure in online social networks.

    Directory of Open Access Journals (Sweden)

    Ai-Xiang Cui

    Full Text Available Although the structural properties of online social networks have attracted much attention, the properties of the close-knit friendship structures remain an important question. Here, we mainly focus on how these mesoscale structures are affected by the local and global structural properties. Analyzing the data of four large-scale online social networks reveals several common structural properties. It is found that not only the local structures given by the indegree, outdegree, and reciprocal degree distributions follow a similar scaling behavior, the mesoscale structures represented by the distributions of close-knit friendship structures also exhibit a similar scaling law. The degree correlation is very weak over a wide range of the degrees. We propose a simple directed network model that captures the observed properties. The model incorporates two mechanisms: reciprocation and preferential attachment. Through rate equation analysis of our model, the local-scale and mesoscale structural properties are derived. In the local-scale, the same scaling behavior of indegree and outdegree distributions stems from indegree and outdegree of nodes both growing as the same function of the introduction time, and the reciprocal degree distribution also shows the same power-law due to the linear relationship between the reciprocal degree and in/outdegree of nodes. In the mesoscale, the distributions of four closed triples representing close-knit friendship structures are found to exhibit identical power-laws, a behavior attributed to the negligible degree correlations. Intriguingly, all the power-law exponents of the distributions in the local-scale and mesoscale depend only on one global parameter, the mean in/outdegree, while both the mean in/outdegree and the reciprocity together determine the ratio of the reciprocal degree of a node to its in/outdegree. Structural properties of numerical simulated networks are analyzed and compared with each of the four

  17. Emergence of scale-free close-knit friendship structure in online social networks.

    Science.gov (United States)

    Cui, Ai-Xiang; Zhang, Zi-Ke; Tang, Ming; Hui, Pak Ming; Fu, Yan

    2012-01-01

    Although the structural properties of online social networks have attracted much attention, the properties of the close-knit friendship structures remain an important question. Here, we mainly focus on how these mesoscale structures are affected by the local and global structural properties. Analyzing the data of four large-scale online social networks reveals several common structural properties. It is found that not only the local structures given by the indegree, outdegree, and reciprocal degree distributions follow a similar scaling behavior, the mesoscale structures represented by the distributions of close-knit friendship structures also exhibit a similar scaling law. The degree correlation is very weak over a wide range of the degrees. We propose a simple directed network model that captures the observed properties. The model incorporates two mechanisms: reciprocation and preferential attachment. Through rate equation analysis of our model, the local-scale and mesoscale structural properties are derived. In the local-scale, the same scaling behavior of indegree and outdegree distributions stems from indegree and outdegree of nodes both growing as the same function of the introduction time, and the reciprocal degree distribution also shows the same power-law due to the linear relationship between the reciprocal degree and in/outdegree of nodes. In the mesoscale, the distributions of four closed triples representing close-knit friendship structures are found to exhibit identical power-laws, a behavior attributed to the negligible degree correlations. Intriguingly, all the power-law exponents of the distributions in the local-scale and mesoscale depend only on one global parameter, the mean in/outdegree, while both the mean in/outdegree and the reciprocity together determine the ratio of the reciprocal degree of a node to its in/outdegree. Structural properties of numerical simulated networks are analyzed and compared with each of the four real networks. This

  18. Electronic structure, superconductivity, and spin fluctuations in the A15 compounds A3B: A = V, Nb; B = Ir,Pt,Au

    International Nuclear Information System (INIS)

    Jarlborg, T.; Junod, A.; Peter, M.

    1983-01-01

    The electronic structure of six A15 compounds V 3 Ir, V 3 Pt, V 3 Au, Nb 3 Ir, Nb 3 Pt, and Nb 3 Au has been determined by means of self-consistent semirelativistic linear muffin-tin orbital band calculations. Parameters related to superconductivity such as electron-phonon coupling, transition temperature, electronic specific heat, and magnetic exchange enhancement are derived from the electronic-structure results. Generally the results obtained agree well with experimental values, with the exception of Nb 3 Pt and V 3 Au. In the former compound the density of states (DOS) has a sharp increase at E/sub F/ making the exact DOS value uncertain. In V 3 Au the high calculated T/sub c/ and the Stoner factor indicate that spin fluctuations may be limiting the T/sub c/. .AE

  19. A DFT Structural Investigation of New Bimetallic PtSnx Surface Alloys Formed on the Pt(110) Surface and Their Interaction with Carbon Monoxide

    DEFF Research Database (Denmark)

    Zheng, Jian; Busch, Michael; Artiglia, Luca

    2016-01-01

    desorbs from the PtSnx surfaces at about 415-425 K compared to 495 K on the clean Pt(110). The energetics and geometry of the CO chemisorption sites have been studied by DFT calculations, obtaining an adsorption energy of 0.7-0.86 eV on p(3 x 1) and 0.9-1.05 eV on p(6 x 1). Overall our theoretical...... spectroscopy. Based on the experimental results and density functional theory (DFT) calculations, we propose atomic models for these surface alloys, which both consist of a highly corrugated row structure with a very similar surface motif. CO temperature-programmed desorption (TPD) experiments indicate that CO...

  20. Half-Lantern Pt(II and Pt(III Complexes. New Cyclometalated Platinum Derivatives

    Directory of Open Access Journals (Sweden)

    Violeta Sicilia

    2014-08-01

    Full Text Available The divalent complex [{Pt(bzq(μ-L}2] (1 [Hbzq = benzo[h]quinolone, HL = CF3C4H2N2SH: 4-(trifluoromethylpyrimidine-2-thiol] was obtained from equimolar amounts of [Pt(bzq(NCMe2]ClO4 and 4-(trifluoromethylpyrimidine-2-thiol with an excess of NEt3. The presence of a low intensity absorption band at 486 nm (CH2Cl2, assignable to a metal-metal-to-ligand charge transfer transition (1MMLCT [dσ*(Pt2→π*(bzq], is indicative of the existence of two platinum centers located in close proximity because the rigidity of the half-lantern structure allows the preservation of these interactions in solution. Compound 1 undergoes two-electron oxidation upon treatment with halogens X2 (X2: Cl2, Br2 or I2 to give the corresponding dihalodiplatinum (III complexes [{Pt(bzq(μ-LX}2] (L = CF3C4H2N2S-κN,S; X: Cl 2, Br 3, I 4. Complexes 2–4 were also obtained by reaction of 1 with HX (molar ratio 1:2, 10% excess of HX in THF with yields of about 80% and compound 2 was also obtained by reaction of [{Pt(bzq(μ-Cl}2] with HL (4-(trifluoromethylpyrimidine-2-thiol in molar ratio 1:2 in THF, although in small yield. The X-ray structures of 2 and 3 confirmed the half-lantern structure and the anti configuration of the molecules. Both of them show Pt–Pt distances (2.61188(15 Å 2, 2.61767(16 Å 3 in the low range of those observed in Pt2(III,IIIX2 half-lantern complexes.

  1. Stabilization and reactivity of a terminal phosphidounit on Pt(II). Synthesis and X-ray structure of cationic diphelylphosphine [Pt{C6H3(CH2NMe2)2-2,6}(PHPh2)][CF3SO3] and Diphenyl-phosphido Bridged Pt(II)-Pd(II) Complex [Pt{C6H3(CH2NMe2)2-2,6} (µ-PPh2) Pd(C6H4CH2NMe2-2)(H2O)][BF4] CH2Cl2

    NARCIS (Netherlands)

    Koten, G. van; Maassarani, F.; Davidson, M.F.; Wehman-Ooyevaar, ICM; Grove, D.M.; Koten, M.A. van; Smeets, W.J.J.; Spek, A.L.

    1995-01-01

    Reaction of diphenylphosphine with the complexes [Pt(NCN)(H{2}O)]X (NCN = C{6}H{3}(CH{2}NMe{2}){2}-2, 6; X = BF{4} (1a), OSO{2}CF{3} (1b)) leads to substitution of the H{2}O ligand to afford the ionic Pt(II) complexes [Pt(NCN)(PHPh{2})]X (X = BF{4} (2a), OSO{2}CF{3} (2b)). The X-ray structure of the

  2. The adsorption of acrolein on a Pt (1 1 1): A study of chemical bonding and electronic structure

    International Nuclear Information System (INIS)

    Pirillo, S.; López-Corral, I.; Germán, E.; Juan, A.

    2012-01-01

    Highlights: ► Study of acrolein/Pt (1 1 1) adsorption using ab-initio and semiempirical methods. ► Geometry optimization and DOS curves were carried out using VASP code. ► Study of chemical bonding evolution using COOP and OP analysis. ► After adsorption Pt-Pt, C=O and C=C bonds are weakened. ► η 3 -cis and η 4 -trans most stable adsorption modes, η 1 -trans less favored one. - Abstract: The adsorption of acrolein on a Pt (1 1 1) surface was studied using ab-initio and semiempirical calculations. Geometry optimization and densities of states (DOS) curves were carried out using the Vienna Ab-initio Simulation Package (VASP) code. We started our study with the preferential geometries corresponding to the different acrolein/Pt (1 1 1) adsorption modes previously reported. Then, we examined the evolution of the chemical bonding in these geometries, using the crystal orbital overlap population (COOP) and overlap population (OP) analysis of selected pairs of atoms. We analyzed the acrolein intramolecular bonds, Pt (1 1 1) superficial bonds and new molecule-surface formed bonds after adsorption. We found that Pt-Pt bonds interacting with the molecule and acrolein C=O and C=C bonds are weakened after adsorption; this last bond is significantly linked to the surface. The obtained C-Pt and O-Pt OP values suggest that the most stable adsorption modes are η 3 -cis and η 4 -trans, while the η 1 -trans is the less favored configuration. We also found that C p z orbital and Pt p z and d z 2 orbitals participate strongly in the adsorption process.

  3. Structural studies of precursor and partially oxidized conducting complexes. 19. Synthesis and crystal structure of Cs2[Pt(CN)4]Cl/sub 0.30, the first anhydrous one-dimensional tetracyanoplatinate chloride complex

    International Nuclear Information System (INIS)

    Brown, R.K.; Williams, J.M.

    1978-01-01

    The preparation and single-crystal x-ray structural characterization of a new, partially oxidized tetracyanoplatinate (POTCP), Cs 2 [Pt(CN) 4 ]Cl/sub 0.30/, CsCP(Cl), has been carried out. This one-dimensional conducting salt crystallizes with four formula units in the tetragonal unit cell I4/mcm, with cell constants a = 13.176 (2) A, c = 5.718 (1) A, and V = 992.7 A 3 . A total of 3112 observed data were averaged to yield 427 independent reflections. The structure was solved by standard heavy-atom methods and was refined by full-matrix least squares to a final R(F 0 2 ) = 0.045 and R/sub w/(F 0 2 ) = 0.059. Pertinent structural features include perfectly linear chains of Pt atoms with Pt-Pt separations crystallographically constrained to a value of (c/2) = 2.859 (2) A and interchain Pt-Pt distances of 9.317 A. Separations between the Cs + and Cl - ions are significantly shorter than the sum of the ionic radii. A discussion of these unusually short interionic distances and the absence of hydration as determined from the structural study and themogravimetric analyses is given. 2 figures, 2 tables

  4. Close monitoring as a contextual stimulator: how need for structure affects the

    NARCIS (Netherlands)

    Nico W. Van Yperen; Eric F. Rietzschel; Marjette Slijkhuis

    2014-01-01

    In this article, we argue and demonstrate that employees’ Personal Need for Structure (PNS) moderates the negative effects of close monitoring on job satisfaction, intrinsic work motivation, and innovative job performance (as rated by their supervisors). In a field study (N ¼ 295), we found that

  5. Seniority and K-structure of the cranked shell model wave function: Pt. 2

    International Nuclear Information System (INIS)

    Lin Xinwei; Liao Boqin; Tang Xianghong; Wu Chongshi; Zeng Jinyan

    1988-01-01

    The seniority v-structure and the K-structure of the CSM wave function for odd particlernumber system are analysed. For not too high ω (h-bar≤0.5MeV) configurations with v = 1, 3, 5 are dominant for the low-lying bands, while those with v≤7 are negligibly small. Also the K-structure of the low lying bands become very complicated. Calculation shows that the blocking effect is very important for the low-lying bands in low-ω region

  6. High-pressure vapor-phase hydrodeoxygenation of lignin-derived oxygenates to hydrocarbons by a PtMo bimetallic catalyst: Product selectivity, reaction pathway, and structural characterization

    Energy Technology Data Exchange (ETDEWEB)

    Yohe, Sara L.; Choudhari, Harshavardhan J.; Mehta, Dhairya D.; Dietrich, Paul J.; Detwiler, Michael D.; Akatay, Cem M.; Stach, Eric A.; Miller, Jeffrey T.; Delgass, W. Nicholas; Agrawal, Rakesh; Ribeiro, Fabio H.

    2016-12-01

    High-pressure, vapor-phase, hydrodeoxygenation (HDO) reactions of dihydroeugenol (2-methoxy-4-propylphenol), as well as other phenolic, lignin-derived compounds, were investigated over a bimetallic platinum and molybdenum catalyst supported on multi-walled carbon nanotubes (5%Pt2.5%Mo/MWCNT). Hydrocarbons were obtained in 100% yield from dihydroeugenol, including 98% yield of the hydrocarbon propylcyclohexane. The final hydrocarbon distribution was shown to be a strong function of hydrogen partial pressure. Kinetic analysis showed three main dihydroeugenol reaction pathways: HDO, hydrogenation, and alkylation. The major pathway occurred via Pt catalyzed hydrogenation of the aromatic ring and methoxy group cleavage to form 4-propylcyclohexanol, then Mo catalyzed removal of the hydroxyl group by dehydration to form propylcyclohexene, followed by hydrogenation of propylcyclohexene on either the Pt or Mo to form the propylcyclohexane. Transalkylation by the methoxy group occurred as a minor side reaction. Catalyst characterization techniques including chemisorption, scanning transmission electron microscopy, X-ray absorption spectroscopy, and X-ray photoelectron spectroscopy were employed to characterize the catalyst structure. Catalyst components identified were Pt particles, bimetallic PtMo particles, a Mo carbide-like phase, and Mo oxide phases.

  7. Current induced domain wall motion and tilting in Pt/Co/Ta structures with perpendicular magnetic anisotropy in the presence of the Dyzaloshinskii–Moriya interaction

    Science.gov (United States)

    Yun, Jijun; Li, Dong; Cui, Baoshan; Guo, Xiaobin; Wu, Kai; Zhang, Xu; Wang, Yupei; Mao, Jian; Zuo, Yalu; Xi, Li

    2018-04-01

    Current induced domain wall motion (CIDWM) was studied in Pt/Co/Ta structures with perpendicular magnetic anisotropy and the Dyzaloshinskii–Moriya interaction (DMI) by the spin-orbit torque (SOT). We measured the strength of DMI and SOT efficiency in Pt/Co/Ta with the variation of the thickness of Ta using a current induced hysteresis loop shift method. The results indicate that the DMI stabilizes a chiral Néel-type domain wall (DW), and the DW motion can be driven by the enhanced large SOT generated from Pt and Ta with opposite signs of spin Hall angle in Pt/Co/Ta stacks. The CIDWM velocity, which is 104 times larger than the field driven DW velocity, obeys a creep law, and reaches around tens of meters per second with current density of ~106 A cm‑2. We also found that the Joule heating accompanied with current also accelerates the DW motion. Meanwhile, a domain wall tilting was observed, which increases with current density increasing. These results can be explained by the spin Hall effect generated from both heavy metals Pt and Ta, inherent DMI, and the current accompanying Joule heating effect. Our results could provide some new designing prospects to move multiple DWs by SOT for achieving racetrack memories.

  8. Synthesis and characterization of highly efficient and stable Pr6O11/Ag3PO4/Pt ternary hybrid structure

    International Nuclear Information System (INIS)

    Deng, Jiatao; Liu, Lin; Niu, Tongjun; Sun, Xiaosong

    2017-01-01

    Highlights: • Visible-light-driven Pr 6 O 11 /Ag 3 PO 4 /Pt photocatalysts were prepared. • Pr 6 O 11 /Ag 3 PO 4 /Pt showed highly efficient and stable photocatalystic activity. • The photocatalytic mechanism of Pr 6 O 11 /Ag 3 PO 4 /Pt composite was given. - Abstract: Ag 3 PO 4 is an excellent photocatalyst with high efficiency and quantum yield, but suffers from the fast recombination of photogenerated electron-hole pairs and photo-corrosion. Hereby, the highly efficient and stable visible-light-driven Pr 6 O 11 /Ag 3 PO 4 /Pt photocatalyst were prepared via a three-step wet chemical approach. The as-prepared Pr 6 O 11 /Ag 3 PO 4 /Pt composite was characterized by X-ray diffraction, US-vis diffuse reflectance spectroscopy, scanning electron microscopy, transmission electron microscopy, X-ray photoelectron spectroscopy, photoluminescence spectra and transient photocurrent as well. Comparing with single Pr 6 O 11 or Ag 3 PO 4 , the prepared Pr 6 O 11 /Ag 3 PO 4 /Pt composite exhibited much higher photocatalytic activity and stability for the degradation of Rhodamine B under visible light irradiation (>420 nm). The enhanced photocatalytic performance of Pr 6 O 11 /Ag 3 PO 4 /Pt composite has been attributed to the efficient separation of photo-generated electron-hole pairs through a scheme system composed of Pr 6 O 11, Ag 3 PO 4 and Pt.

  9. Local damage to reinforced concrete structures caused by impact of aircraft engine missiles. Pt. 1

    International Nuclear Information System (INIS)

    Sugano, T.; Tsubota, H.; Kasai, Y.; Koshika, N.; Ohnuma, H.; Von Riesemann, W.A.; Bickel, D.C.; Parks, M.B.

    1993-01-01

    Structural damage induced by an aircraft crashing into a reinforced concrete structure includes local damage caused by the deformable engines, and global damage caused by the entire aircraft. Local damage to the target may consist of spalling of concrete from its front face together with missile penetration into it, scabbing of concrete from its rear face, and perforation of missile through it. Until now, local damage to concrete structures has been mainly evaluated by rigid missile impact tests. Past research work regarding local damage caused by impact of deformable missiles has been limited. This paper presents the results of a series of impact tests of small-, intermediate-, and full-scale engine models into reinforced concrete panels. The purpose of the tests was to determine the local damage to a reinforced concrete structure caused by the impact of a deformable aircraft engine. (orig.)

  10. Structure and Stability of Pt-Y Alloy Particles for Oxygen Reduction Studied by Electron Microscopy

    DEFF Research Database (Denmark)

    Deiana, Davide; Wagner, Jakob Birkedal; Hansen, Thomas Willum

    2015-01-01

    Platinum-yttrium alloy nanoparticles show both a high activity and stability for the oxygen reduction reaction. The catalysts were prepared by magnetron sputter aggregation and mass filtration providing a model catalyst system with a narrow size distribution. The structure and stability of nanost...... the catalyst after reaction and after aging tests shows the development of a core-shell type structure after being exposed to reaction conditions....

  11. Pt monolayer shell on hollow Pd core electrocatalysts: Scale up synthesis, structure, and activity for the oxygen reduction reaction

    Directory of Open Access Journals (Sweden)

    Vukmirovic Miomir B.

    2013-01-01

    Full Text Available We report on synthesis, characterization and the oxygen reduction reaction (ORR kinetics of Pt monolayer shell on Pd(hollow, or Pd-Au(hollow core electrocatalysts. Comparison between the ORR catalytic activity of the electrocatalysts with hollow cores and those of Pt solid and Pt hollow nanoparticles has been obtained using the rotating disk electrode technique. Hollow nanoparticles were made using Ni or Cu nanoparticles as sacrificial templates. The Pt ORR specific and mass activities of the electrocatalysts with hollow cores were found considerably higher than those of the electrocatalysts with the solid cores. We attribute this enhanced Pt activity to the smooth surface morphology and hollow-induced lattice contraction, in addition to the mass-saving geometry of hollow particles.

  12. Effect of NiO growth conditions on the bipolar resistance memory switching of Pt/NiO/SRO structure

    International Nuclear Information System (INIS)

    Kurnia, F.; Hadiyawarman, H.; Jung, C. U.; Liu, C. L.; Lee, S. B.; Yang, S. M.; Park, H. W.; Song, S. J.; Hwang, C. S.

    2010-01-01

    We deposited NiO thin films with SrRuO 3 bottom electrodes on SrTiO 3 (001) substrates by using pulsed laser deposition. The growth temperature and the oxygen pressure were varied in order to obtain NiO films with different structural and electrical properties. We investigated the I-V characteristics of the Pt/NiO/SRO structures and observed a strong dependence of bipolar resistance switching on the growth conditions of the NiO thin films. Stable bipolar memory resistance switching was observed only in the devices with NiO films deposited at 400 .deg. C and 10 mTorr of O 2 . The off-state I-V curve of bipolar switching showed a linear fitting to the Schottky effect, indicating its origin in the NiO/SRO interface. Our results suggest that the growth conditions of NiO may affect the bipolar switching behavior through the film's resistance, the film's crystallinity, or the status of the grain boundaries.

  13. An efficient closed-form solution for acoustic emission source location in three-dimensional structures

    Directory of Open Access Journals (Sweden)

    Xibing Li

    2014-02-01

    Full Text Available This paper presents an efficient closed-form solution (ECS for acoustic emission(AE source location in three-dimensional structures using time difference of arrival (TDOA measurements from N receivers, N ≥ 6. The nonlinear location equations of TDOA are simplified to linear equations. The unique analytical solution of AE sources for unknown velocity system is obtained by solving the linear equations. The proposed ECS method successfully solved the problems of location errors resulting from measured deviations of velocity as well as the existence and multiplicity of solutions induced by calculations of square roots in existed close-form methods.

  14. The adsorption of acrolein on a Pt (1 1 1): A study of chemical bonding and electronic structure

    Science.gov (United States)

    Pirillo, S.; López-Corral, I.; Germán, E.; Juan, A.

    2012-12-01

    The adsorption of acrolein on a Pt (1 1 1) surface was studied using ab-initio and semiempirical calculations. Geometry optimization and densities of states (DOS) curves were carried out using the Vienna Ab-initio Simulation Package (VASP) code. We started our study with the preferential geometries corresponding to the different acrolein/Pt (1 1 1) adsorption modes previously reported. Then, we examined the evolution of the chemical bonding in these geometries, using the crystal orbital overlap population (COOP) and overlap population (OP) analysis of selected pairs of atoms. We analyzed the acrolein intramolecular bonds, Pt (1 1 1) superficial bonds and new moleculesbnd surface formed bonds after adsorption. We found that Ptsbnd Pt bonds interacting with the molecule and acrolein Cdbnd O and Cdbnd C bonds are weakened after adsorption; this last bond is significantly linked to the surface. The obtained Csbnd Pt and Osbnd Pt OP values suggest that the most stable adsorption modes are η3-cis and η4-trans, while the η1-trans is the less favored configuration. We also found that C pz orbital and Pt pz and d orbitals participate strongly in the adsorption process.

  15. Surface structure of MgO underlayer with Ti diffusion for (002 oriented L10 FePt-based heat assisted magnetic recording media

    Directory of Open Access Journals (Sweden)

    Sintaro Hinata

    2018-05-01

    Full Text Available Surface morphology of the MgO layer and magnetic properties of FePt-C layer deposited on the MgO were investigated for the FePt-based heat assisted magnetic recording media. Stacking structure of the underlayer for the FePt-C layer was MgO (0-5 nm/Cr80Mn20 (0-30 nm/Cr50Ti50 (0-50 nm/glass sub.. Surface observation result for the MgO film by using an atomic force microscope revealed the existence of nodules with a height of about 2 nm and a network-like convex structure with a height difference of about sub nm (boundary wall, BW on the MgO crystal grain boundary. Density of the nodules largely depends on the surface roughness of the CrTi layer, RaCrTi and it is suppressed from 10 to 2/0.5 μm2 by reducing RaCrTi from 420 to 260 pm. Height of the BW depends on thickness of the MgO layer, tMgO and it can be suppressed by reducing tMgO to less than 4 nm. From the cross-sectional energy dispersive x-ray mapping, it is clarified that the BW is formed by atomic diffusion of Ti atoms from CrTi layer due to the substrate heating process, and a compound consists of Mg, Ti and O atoms. This BW can be used as a template to magnetically isolate the FePt column in the FePt-based granular film, such as FePt-SiO2, if the size of the BW is reduced to less than 10 nm. M-H loop of the FePt-C granular film deposited on the underlayer showed that the nodule and BW induce oxidation of the FePt grains, and reduction of intergranular exchange coupling.

  16. Surface structure of MgO underlayer with Ti diffusion for (002) oriented L10 FePt-based heat assisted magnetic recording media

    Science.gov (United States)

    Hinata, Sintaro; Jo, Shin; Saito, Shin

    2018-05-01

    Surface morphology of the MgO layer and magnetic properties of FePt-C layer deposited on the MgO were investigated for the FePt-based heat assisted magnetic recording media. Stacking structure of the underlayer for the FePt-C layer was MgO (0-5 nm)/Cr80Mn20 (0-30 nm)/Cr50Ti50 (0-50 nm)/glass sub.. Surface observation result for the MgO film by using an atomic force microscope revealed the existence of nodules with a height of about 2 nm and a network-like convex structure with a height difference of about sub nm (boundary wall, BW) on the MgO crystal grain boundary. Density of the nodules largely depends on the surface roughness of the CrTi layer, RaCrTi and it is suppressed from 10 to 2/0.5 μm2 by reducing RaCrTi from 420 to 260 pm. Height of the BW depends on thickness of the MgO layer, tMgO and it can be suppressed by reducing tMgO to less than 4 nm. From the cross-sectional energy dispersive x-ray mapping, it is clarified that the BW is formed by atomic diffusion of Ti atoms from CrTi layer due to the substrate heating process, and a compound consists of Mg, Ti and O atoms. This BW can be used as a template to magnetically isolate the FePt column in the FePt-based granular film, such as FePt-SiO2, if the size of the BW is reduced to less than 10 nm. M-H loop of the FePt-C granular film deposited on the underlayer showed that the nodule and BW induce oxidation of the FePt grains, and reduction of intergranular exchange coupling.

  17. Ensemble averaged structure–function relationship for nanocrystals: effective superparamagnetic Fe clusters with catalytically active Pt skin [Ensemble averaged structure-function relationship for composite nanocrystals: magnetic bcc Fe clusters with catalytically active fcc Pt skin

    Energy Technology Data Exchange (ETDEWEB)

    Petkov, Valeri [Central Michigan University, Mt. Pleasant, MI (United States); Prasai, Binay [Central Michigan University, Mt. Pleasant, MI (United States); Shastri, Sarvjit [Argonne National Lab. (ANL), Argonne, IL (United States). X-ray Science Division; Park, Hyun-Uk [Sungkyunkwan University, Suwon (Korea). Department of Chemistry; Kwon, Young-Uk [Sungkyunkwan University, Suwon (Korea). Department of Chemistry; Skumryev, Vassil [Institucio Catalana de Recerca i Estudis Avançats (ICREA), Barcelona (Spain); Universitat Autònoma de Barcelona (Spain). Department of Physics

    2017-09-12

    Practical applications require the production and usage of metallic nanocrystals (NCs) in large ensembles. Besides, due to their cluster-bulk solid duality, metallic NCs exhibit a large degree of structural diversity. This poses the question as to what atomic-scale basis is to be used when the structure–function relationship for metallic NCs is to be quantified precisely. In this paper, we address the question by studying bi-functional Fe core-Pt skin type NCs optimized for practical applications. In particular, the cluster-like Fe core and skin-like Pt surface of the NCs exhibit superparamagnetic properties and a superb catalytic activity for the oxygen reduction reaction, respectively. We determine the atomic-scale structure of the NCs by non-traditional resonant high-energy X-ray diffraction coupled to atomic pair distribution function analysis. Using the experimental structure data we explain the observed magnetic and catalytic behavior of the NCs in a quantitative manner. Lastly, we demonstrate that NC ensemble-averaged 3D positions of atoms obtained by advanced X-ray scattering techniques are a very proper basis for not only establishing but also quantifying the structure–function relationship for the increasingly complex metallic NCs explored for practical applications.

  18. Infrared polarimetry of dark clouds. Pt. 1. Magnetic field structure in Heiles Cloud 2

    Energy Technology Data Exchange (ETDEWEB)

    Tamura, Motohide; Nagata, Tetsuya; Sato, Shuji; Tanaka, Masuo

    1987-01-15

    The K-band polarization of 18 stars toward Heiles Cloud 2 in the Taurus dark cloud complex has been measured to investigate the structure of the magnetic field in this cloud. The observed polarization vectors are well aligned, with a mean position angle of approx. 50/sup 0/, which is perpendicular to the direction of the elongation of the cloud. This indicates that Heiles Cloud 2 has formed by contraction along the magnetic field, resulting in the flattened shape.

  19. Hyperfine structure of nine levels in two configurations of 93Nb. Pt. 1

    International Nuclear Information System (INIS)

    Buettgenbach, S.; Dicke, R.; Gebauer, H.; Herschel, M.; Meisel, G.

    1975-01-01

    The hyperfine structure of the multiplets 4d 4 5s 6 D and 4d 3 5s 24 F of 93 Nb has been studied by the atomic-beam magnetic-resonance method. After applying corrections due to effects of off-diagonal hyperfine and Zeeman interactions the hyperfine interaction constants A and B and the electron g factors gsub(J) are determined for all nine levels of the two multiplets. (orig.) [de

  20. Exchange bias effect in L10-ordered FePt and FeCo-based bilayer structure: effect of increasing applied field

    Science.gov (United States)

    Singh, Sadhana; Kumar, Dileep; Bhagat, Babli; Choudhary, R. J.; Reddy, V. R.; Gupta, Ajay

    2018-02-01

    The applied magnetic field (H APP) dependence of the exchange bias (EB) is studied in an exchange-coupled thin-film bilayer composed of a hard ferromagnetic FePt layer in the proximity of a soft ferromagnetic FeCo layer. FePt/FeCo structure is deposited in an ultra-high vacuum chamber, where the FePt layer was first annealed at 823 K for 30 min and subsequently cooled to room temperature in the presence of an in-plane magnetic field, H MAX ~ 1.5 kOe to promote L10-ordered hard magnetic phase with magnetic moments aligned in one of the in-plane directions in the FePt layer. In-situ magneto-optical Kerr effect measurements during different stages of bilayer growth and detailed ex-situ superconducting quantum interference device-vibrating sample magnetometer measurements jointly revealed that due to the interplay between exchange coupling at the interface and dipolar energies of the saturated hard FePt layer, a hysteresis loop of FeCo layer shifts along the magnetic field axis. A clear dependence of EB field (H EB) on increasing maximum value of the H APP during the hysteresis loop measurement is understood in terms of the magnetic state of soft and hard magnetic layers, where EB increases with increasing H APP until the hard layer moment remains undisturbed in its remanence state. As soon as the field was sufficient to rotate the spins of the FePt layer, the loop became symmetric with respect to the field axis.

  1. Workshop on nuclear structure and decay data: Theory and evaluation manual - Pt. 2

    International Nuclear Information System (INIS)

    Nichols, A.L.; McLaughlin, P.K.; p.mclaughlin@iaea.org

    2004-11-01

    A two-week Workshop on Nuclear Structure and Decay Data: Theory and Evaluation was organized and administrated by the IAEA Nuclear Data Section, and hosted at the Abdus Salam International Centre for Theoretical Physics (ICTP) in Trieste, Italy from 17 to 28 November 2003. The aims and contents of this workshop are summarized, along with the agenda, list of participants, comments and recommendations. Workshop materials are also included that are freely available on CD-ROM (all relevant PowerPoint presentations and manuals along with appropriate computer codes). (author)

  2. Local damage to reinforced concrete structures caused by impact of aircraft engine missiles. Pt. 2

    International Nuclear Information System (INIS)

    Sugano, T.; Tsubota, H.; Kasai, Y.; Koshika, N.; Itoh, C.; Shirai, K.; Von Riesemann, W.A.; Bickel, D.C.; Parks, M.B.

    1993-01-01

    Three sets of impact tests, small-, intermediate-, and full-scale tests, have been executed to determine local damage to reinforced concrete structures caused by the impact of aircraft engine missiles. The results of the test program showed that (1) the use of the similarity law is appropriate, (2) suitable empirical formulas exist for predicting the local damage caused by rigid missiles, (3) reduction factors may be used for evaluating the reduction in local damage due to the deformability of the engines, (4) the reinforcement ratio has no effect on local damage, and (5) the test results could be adequately predicted using nonlinear response analysis. (orig.)

  3. Workshop on nuclear structure and decay data: Theory and evaluation manual - Pt. 1

    International Nuclear Information System (INIS)

    Nichols, A.L.; McLaughlin, P.K.; p.mclaughlin@iaea.org

    2004-11-01

    A two-week Workshop on Nuclear Structure and Decay Data: Theory and Evaluation was organized and administrated by the IAEA Nuclear Data Section, and hosted at the Abdus Salam International Centre for Theoretical Physics (ICTP) in Trieste, Italy from 17 to 28 November 2003. The aims and contents of this workshop are summarized, along with the agenda, list of participants, comments and recommendations. Workshop materials are also included that are freely available on CD-ROM (all relevant PowerPoint presentations and manuals along with appropriate computer codes). (author)

  4. Effect of crack closing and cyclic fracture toughness evaluation of structural alloys

    International Nuclear Information System (INIS)

    Romaniv, O.N.; Nikiforchin, G.N.; Andrusiv, B.N.

    1983-01-01

    Mechanisms of crack closing (CC), methods of its evalution as well as CC effect on cyclic fracture toughness of structural alloys are considered based on literature and experimental datas several CC mechanisms are suggested. It is noted that evaluation of fatigue crack closing is exercised, mainly, experimentally, though analytical methods of its determination are also suggested. Experimental Methods may be divided in two main groups. The first one comprises techniques based on direct determination of strains and displacements, the second one includes methods based on physical methods of investigations. High importance of CC effect accountancy in investigation of growth kinetics and machanism of corrosion-fatigue cracks in structural materials is noted. Besides, it should be taken into account that cyclic loading changes electrochemical conditions in the apex of corrosion crack

  5. Direct determination of triplet phases and enantiomorphs of non-centrosymmetric structures. Pt. 2

    International Nuclear Information System (INIS)

    Huemmer, K.; Weckert, E.; Bondza, H.

    1989-01-01

    Direct measurements of triplet phase relationships for non-centrosymmetric light-atom organic structures with medium-size unit cells are reported. The phase information can be extracted from the three-beam profiles of a Renninger ψ-scan experiment. The measurements were carried out with a special ψ-circle diffractometer installed on a rotating Cu-anode generator. The incident-beam divergence is reduced to 0.02 0 . The experimental results confirm the theoretical considerations of paper I of this work. As triplet phases of ±90 0 can be distinguished, the absolute structure can be determined unambiguously. The measurements show that the triplet-phase-dependent interference effects may be superposed on phase-independent Umweganregung or Aufhellung effects. By a comparison of the ψ-scan profiles of two centrosymmetrically related three-beam cases, the triplet phases of which have opposite signs, it is possible to evaluate the phase-independent effects and to determine the value of the triplet phase with an accuracy of at least 90 0 . (orig.)

  6. Lithography-Free Fabrication of Large Area Subwavelength Antireflection Structures Using Thermally Dewetted Pt/Pd Alloy Etch Mask

    Directory of Open Access Journals (Sweden)

    Kang Jeong-Jin

    2009-01-01

    Full Text Available Abstract We have demonstrated lithography-free, simple, and large area fabrication method for subwavelength antireflection structures (SAS to achieve low reflectance of silicon (Si surface. Thin film of Pt/Pd alloy on a Si substrate is melted and agglomerated into hemispheric nanodots by thermal dewetting process, and the array of the nanodots is used as etch mask for reactive ion etching (RIE to form SAS on the Si surface. Two critical parameters, the temperature of thermal dewetting processes and the duration of RIE, have been experimentally studied to achieve very low reflectance from SAS. All the SAS have well-tapered shapes that the refractive index may be changed continuously and monotonously in the direction of incident light. In the wavelength range from 350 to 1800 nm, the measured reflectance of the fabricated SAS averages out to 5%. Especially in the wavelength range from 550 to 650 nm, which falls within visible light, the measured reflectance is under 0.01%.

  7. Network diversity structure, closeness and innovation of South African micro-entrepreneurs

    OpenAIRE

    Eliada Wosu Griffin-EL

    2014-01-01

    This study qualitatively explores the embeddedness of the innovation process of South African microbusinesses by investigating how small local entrepreneurs in the Greater Johannesburg area utilise their social networks to source entrepreneurial value. A comparative grounded theory analysis enabled the original conceptualisation of Network Diversity Structure and formulates the central proposition that the network dimensions of diversity and closeness enable the innovation process among manuf...

  8. Non-metric close range photogrammetric system for mapping geologic structures in mines

    Energy Technology Data Exchange (ETDEWEB)

    Brandow, V D

    1976-01-01

    A stereographic close-range photogrammetric method of obtaining structural data for mine roof stability analyses is described. Stereo pairs were taken with 70 mm and 35 mm non-metric cameras. Photo co-ordinates were measured with a stereo-comparator and reduced by the direct linear transformation method. Field trials demonstrate that the technique is sufficiently accurate for geological work and is a practical method of mapping.

  9. The electronic structure of molecules by a many-body approach. Pt. 1

    International Nuclear Information System (INIS)

    Niessen, W. von; Cederbaum, L.S.; Kraemer, W.P.

    1976-01-01

    The ionization potentials of benzene are studied by an ab initio many-body approach which includes the effects of electron correlation and reorganization beyond the one-particle approximation. The calculations confirm the assignment of the photoelectron spectrum experimentally proposed by Jonsson and Lindholm: 1esub(1g)(π), 2esub(2g), 1asub(2u)(π), 2esub(1u), 1bsub(2u), 1bsub(1u), 2asub(1g), 1esub(2g) in order of increasing binding energy. To definitely establish the ordering of the ionization potentials in the second band, which has been very controversial, the corresponding vibrational structure has been calculated. A number of one-electron properties are calculated in the one-particle approximation and compared to experimental work and other theoretical calculations. (orig.) [de

  10. H electro-insertion into Pd/Pt(1 1 1) nanofilms: an original method for isotherm measurement coupled to in situ surface X-ray diffraction structural study

    International Nuclear Information System (INIS)

    Soldo-Olivier, Y.; Sibert, E.; Previdello, B.; Lafouresse, M.C.; Maillard, F.; De Santis, M.

    2013-01-01

    In order to get a thorough comprehension of the mechanisms governing hydrogen insertion into nanometric metallic films, we have studied ultra-thin Pd/Pt(1 1 1) layers. In this paper we propose an original method allowing the measurement of hydrogen insertion electrochemical isotherms. The use of a hanging meniscus rotating disc electrode and a new calculation approach permit to remove the contributions to the insertion charge of both hydrogen evolution and hydrogen oxidation reactions. Indeed, compared to hydrogen insertion such terms become non-negligible in the case of nanometric deposits, due to their large surface/bulk atom ratio. We have measured hydrogen insertion isotherms for Pd/Pt(1 1 1) films from 14 ML down to 4 ML. Independently from the film thickness, the maximum hydrogen insertion rate (H/Pd) max is smaller than that of bulk Pd. The so-called two-phase region is still present, but contrarily to bulk Pd it is characterized by a slope. Both hydrogen solubility and the two-phase domain width diminish with the decrease of the film thickness. In the present work the behaviour of hydrogen electrochemical insertion isotherms is interpreted in the light of the Pd nanofilms structure obtained with in situ surface X-ray diffraction. The lattice constraints induced by the substrate result in a lower insertion rate in the Pd deposit close to the Pt–Pd interface. Only the outermost region of the film is relaxed and behaves like bulk Pd. This description quantitatively accounts for the experimental behaviour of (H/Pd) max as a function of the film thickness. The obtained Pd/Pt(1 1 1) films structure also corresponds to the presence of non-equivalent hydrogen insertion sites, surely contributing to the slope observed in the two-phase domain

  11. Vibrational Fingerprints of Low-Lying Pt(n)P(2n) (n = 1-5) Cluster Structures from Global Optimization Based on Density Functional Theory Potential Energy Surfaces.

    Science.gov (United States)

    Jedidi, Abdesslem; Li, Rui; Fornasiero, Paolo; Cavallo, Luigi; Carbonniere, Philippe

    2015-12-03

    Vibrational fingerprints of small Pt(n)P(2n) (n = 1-5) clusters were computed from their low-lying structures located from a global exploration of their DFT potential energy surfaces with the GSAM code. Five DFT methods were assessed from the CCSD(T) wavenumbers of PtP2 species and CCSD relative energies of Pt2P4 structures. The eight first Pt(n)P(2n) isomers found are reported. The vibrational computations reveal (i) the absence of clear signatures made by overtone or combination bands due to very weak mechanical and electrical anharmonicities and (ii) some significant and recurrent vibrational fingerprints in correlation with the different PP bonding situations in the Pt(n)P(2n) structures.

  12. Magnetic and structural properties of L1{sub 1} type CoPt-C ordered alloy perpendicular films as a function of C content

    Energy Technology Data Exchange (ETDEWEB)

    Shimatsu, T; Kataoka, H; Aoi, H [Research Institute of Electrical Communication, Tohoku University, Sendai, 980-8577 (Japan); Sato, H; Okamoto, S; Kitakami, O, E-mail: shimatsu@riec.tohoku.ac.j [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai, 980-8577 (Japan)

    2010-01-01

    Magnetic and structural properties of L1{sub 1} type (Co{sub 0.5}Pt{sub 0.5}){sub 100-X}-C{sub X} ordered alloy perpendicular films, fabricated on 2.5 inch size glass disks by sputter deposition, were examined as a function of C content, X. L1{sub 1} type Co{sub 0.5}Pt{sub 0.5}-C polycrystalline films (10 nm thickness), with <111> axis (the easy axis) perpendicular to the film plane, were successfully fabricated even for a 30 vol% C content. Structural analysis indicated the segregation of C to the grain boundaries. Uniaxial magnetic anisotropy, K{sub u}, of Co{sub 0.5}Pt{sub 0.5} films without C addition was relatively low, about 1.5x10{sup 7} erg/cm{sup 3} under the present deposition conditions. However, the addition of 5 vol.% C to Co-Pt films enhanced the ordering, resulting in an increase in K{sub u} to around 2.5 x10{sup 7} erg/cm{sup 3}. A further increase in C content reduced K{sub u}; however, K{sub u} maintained a relatively large value of about 1.8x10{sup 7} erg/cm{sup 3} even for a 20vol% C content, without degrading the easy axis orientation perpendicular to the film plane. Experimental results demonstrated the potential of the L1{sub 1} type Co{sub 0.5}Pt{sub 0.5}-C films for use in granular media applications, due to their very high K{sub u}, the relatively low fabrication temperature, and good controllability of the grain orientation.

  13. Nano-structure formation of Fe-Pt perpendicular magnetic recording media co-deposited with MgO, Al2O3 and SiO2 additives

    International Nuclear Information System (INIS)

    Safran, G.; Suzuki, T.; Ouchi, K.; Barna, P.B.; Radnoczi, G.

    2006-01-01

    Perpendicular magnetic recording media samples were prepared by sputter deposition on sapphire with a layer sequence of MgO seed-layer/Cr under-layer/FeSi soft magnetic under-layer/MgO intermediate layer/FePt-oxide recording layer. The effects of MgO, Al 2 O 3 and SiO 2 additives on the morphology and orientation of the FePt layer were investigated by transmission electron microscopy. The samples exhibited (001) orientation of the L1 FePt phase with the mutual orientations of sapphire substrate//MgO(100)[001]//Cr(100)[11-bar0]//FeSi(100)[11-bar0]//MgO(100) [001]//FePt(001)[100]. The morphology of the FePt films varied due to the co-deposited oxides: The FePt layers were continuous and segmented by stacking faults aligned at 54 o to the surface. Films with SiO 2 addition, beside the oriented columnar FePt grains, exhibited a fraction of misoriented crystallites due to random repeated nucleation. Al 2 O 3 addition resulted in a layered structure, i.e. an initial continuous epitaxial FePt layer covered by a secondary layer of FePt-Al 2 O 3 composite. Both components (FePt and MgO) of the MgO-added samples were grown epitaxially on the MgO intermediate layer, so that a nano-composite of intercalated (001) FePt and (001) MgO was formed. The revealed microstructures and formation mechanisms may facilitate the improvement of the structural and magnetic properties of the FePt-oxide composite perpendicular magnetic recording media

  14. Autologous fat grafting: use of closed syringe microcannula system for enhanced autologous structural grafting

    Directory of Open Access Journals (Sweden)

    Alexander RW

    2013-04-01

    Full Text Available Robert W Alexander,1 David Harrell2 1Department of Surgery, School of Medicine and Dentistry, University of Washington, Seattle, WA, USA; 2Harvest-Terumo Inc, Plymouth, MA, USA Objectives: Provide background for use of acquiring autologous adipose tissue as a tissue graft and source of adult progenitor cells for use in cosmetic plastic surgery. Discuss the background and mechanisms of action of closed syringe vacuum lipoaspiration, with emphasis on accessing adipose-derived mesenchymal/stromal cells and the stromal vascular fraction (SVF for use in aesthetic, structural reconstruction and regenerative applications. Explain a proven protocol for acquiring high-quality autologous fat grafts (AFG with use of disposable, microcannula systems. Design: Explain the components and advantage of use of the patented super luer-lock and microcannulas system for use with the closed-syringe system. A sequential explanation of equipment selection for minimally traumatic lipoaspiration in small volumes is presented, including use of blunt injection cannulas to reduce risk of embolism. Results: Thousands of AFG have proven safe and efficacious for lipoaspiration techniques for large and small structural fat grafting procedures. The importance and advantages of gentle harvesting of the adipose tissue complex has become very clear in the past 5 years. The closed-syringe system offers a minimally invasive, gentle system with which to mobilize subdermal fat tissues in a suspension form. Resulting total nuclear counting of undifferentiated cells of the adipose-derived -SVF suggests that the yield achieved is better than use of always-on, constant mechanical pump applied vacuum systems. Conclusion: Use of a closed-syringe lipoaspiration system featuring disposable microcannulas offers a safe and effective means of harvesting small volumes of nonmanipulated adipose tissues and its accompanying progenitor cells within the SVF. Closed syringes and microcannulas are

  15. Investigating the structure of a vortex flow in the closed polygonal containers

    Science.gov (United States)

    Podolskaya, I. Yu; Bakakin, G. V.; Naumov, I. V.

    2018-03-01

    The structure of confined vortex flow generated by a rotating lid in a closed container with polygonal cross-section geometry (eight, six and five angles) has been investigated numerically for different height/radius aspect ratios h from 3.0 to 4.5 and for Reynold numbers ranging from 1500 to 3000. The critical Reynolds numbers at which the flow becomes unsteady were determined numerically by STAR-CCM+ computational fluid dynamics software for pentagonal and hexagonal cross-section configurations. The obtained results were compared with the flow structure in the closed cylindrical container. The boundary of a nonstationarity in polygonal containers is found to shift to the region of smaller aspect ratio and smaller Reynolds numbers with a decrease in the number of angles in the cross-section of the container relative to the boundary in a cylindrical container. It is additionally established that the structure of the flow in the near-axis region remains similar to the vortex structure in the cylinder, therefore the shape of the container does not influence the near-axis region.

  16. Detecting closing delaminations in laminated composite plates using nonlinear structural intensity and time reversal mirrors

    International Nuclear Information System (INIS)

    Lamberti, Alfredo; Semperlotti, Fabio

    2013-01-01

    Closing delaminations in composite laminated structures exhibit a nonlinear dynamic response when excited by high frequency elastic waves. The contact acoustic nonlinear effects taking place at the damage interface act as a mechanism of energy redistribution from the driving frequency to the nonlinear harmonic frequencies. In this paper, we extend the concept of nonlinear structural intensity (NSI) to the analysis of closing delaminations in composite laminated plates. NSI is calculated using a method based on a combination of finite element and finite difference techniques, which is suitable for processing both numerical and experimental data. NSI is proven to be an effective metric to identify the presence and location of closing delaminations. The highly directional nature of orthotropic composites results in vibrational energy propagating in a different direction from that of the initial elastic wave. This aspect reduces the ability to effectively interrogate the damage and, therefore, the sensitivity to the damage. The time reversal mirror technique is explored as a possible approach to overcome the effect of the material directionality and increase the ability to interrogate the damage. Numerical simulations show that this technique is able to overcome the material directionality and to drastically enhance the ability to interrogate the damage. (paper)

  17. Reversibility of Pt-Skin and Pt-Skeleton Nanostructures in Acidic Media.

    Science.gov (United States)

    Durst, Julien; Lopez-Haro, Miguel; Dubau, Laetitia; Chatenet, Marian; Soldo-Olivier, Yvonne; Guétaz, Laure; Bayle-Guillemaud, Pascale; Maillard, Frédéric

    2014-02-06

    Following a well-defined series of acid and heat treatments on a benchmark Pt3Co/C sample, three different nanostructures of interest for the electrocatalysis of the oxygen reduction reaction were tailored. These nanostructures could be sorted into the "Pt-skin" structure, made of one pure Pt overlayer, and the "Pt-skeleton" structure, made of 2-3 Pt overlayers surrounding the Pt-Co alloy core. Using a unique combination of high-resolution aberration-corrected STEM-EELS, XRD, EXAFS, and XANES measurements, we provide atomically resolved pictures of these different nanostructures, including measurement of the Pt-shell thickness forming in acidic media and the resulting changes of the bulk and core chemical composition. It is shown that the Pt-skin is reverted toward the Pt-skeleton upon contact with acid electrolyte. This change in structure causes strong variations of the chemical composition.

  18. Structure determination of chitosan-stabilized Pt and Pd based bimetallic nanoparticles by X-ray photoelectron spectroscopy and transmission electron microscopy

    International Nuclear Information System (INIS)

    Wu, Lihua; Shafii, Salimah; Nordin, Mohd Ridzuan; Liew, Kong Yong; Li, Jinlin

    2012-01-01

    Chitosan (CTS)-stabilized bimetallic nanoparticles were prepared at room temperature (rt.) in aqueous solution. Palladium (Pd) and platinum (Pt) were selected as the first metals while iron (Fe) and nickel (Ni) functioned as the second metals. In order to obtain the noble metal core-transition metal shell structures, bimetallic nanoparticles were prepared in a two-step process: the preparation of mono noble metallic (Pd or Pt) nanoparticles and the deposition of transition metals (Fe or Ni) on the surface of the monometallic nanoparticles. The structures of the nanoparticles were studied using X-ray photoelectron spectroscopy (XPS) and transmission electron microscopy (TEM). The XPS results show that Pd and Pt exist mainly in zero valences. The presence of Fe and Ni in the bimetallic nanoparticles affects the binding energy of Pd and Pt. Moreover, the studies of O 1s spectra indicate the presence of Fe or Ni shells. The analyses of TEM micrographs give the particle size and size distributions while the high-resolution TEM (HRTEM) micrographs show the existence of noble metal core lattices. The results confirm the formation of noble metal core-transition metal shell structures. -- Highlights: ► Chitosan-stabilized bimetallic nanoparticles were prepared at room temperature in aqueous solution. ► The presence of Fe or Ni shells was proven by XPS study. ► The existence of noble metal cores covered by amorphous shells was indicated by TEM study. ► The formation of noble metal core-transition metal shell structures was confirmed.

  19. The closed-mindedness that wasn’t: Need for structure and expectancy-inconsistent information

    Directory of Open Access Journals (Sweden)

    Markus eKemmelmeier

    2015-07-01

    Full Text Available Social-cognitive researchers have typically assumed that individuals high in need for structure or need for closure tend to be closed-minded: they are motivated to resist or ignore information that is inconsistent with existing beliefs but instead they rely on category-based expectancies. The present paper argues that this conclusion is not necessarily warranted because previous studies did not allow individual differences in categorical processing to emerge and did not consider different distributions of category-relevant information. Using a person memory paradigm, Experiments 1 and 2 show that, when categorical processing is optional, high need-for-structure individuals are especially likely to use this type processing to reduce uncertainty, which results in superior recall for expectancy-inconsistent information. Experiment 2 demonstrates that such information is also more likely to be used in judgment making, leading to judgmental moderation among high need-for-structure individuals. Experiments 3 and 4 used a person memory paradigm which requires categorical processing regardless of levels of need for structure. Experiment 3 and 4 demonstrate that, whether expectancy-consistent or -inconsistent information is recalled better is a function of whether the majority of available information is compatible or incompatible with an initial category-based expectancy. Experiment 4 confirmed that the extent to which high need-for-structure individuals attend to different types of information varies with their distribution. The discussion highlights that task affordances have a critical influences on the consequences of categorical processing for memory and social judgment. Thus, high need for structure does not necessarily equate closed-mindedness.

  20. The closed-mindedness that wasn't: need for structure and expectancy-inconsistent information.

    Science.gov (United States)

    Kemmelmeier, Markus

    2015-01-01

    Social-cognitive researchers have typically assumed that individuals high in need for structure or need for closure tend to be closed-minded: they are motivated to resist or ignore information that is inconsistent with existing beliefs but instead they rely on category-based expectancies. The present paper argues that this conclusion is not necessarily warranted because previous studies did not allow individual differences in categorical processing to emerge and did not consider different distributions of category-relevant information. Using a person memory paradigm, Experiments 1 and 2 shows that, when categorical processing is optional, high need-for-structure individuals are especially likely to use this type processing to reduce uncertainty, which results in superior recall for expectancy-inconsistent information. Experiment 2 demonstrates that such information is also more likely to be used in judgment making, leading to judgmental moderation among high need-for-structure individuals. Experiments 3 and 4 used a person memory paradigm which requires categorical processing regardless of levels of need for structure. Experiments 3 and 4 demonstrate that, whether expectancy-consistent or -inconsistent information is recalled better is a function of whether the majority of available information is compatible or incompatible with an initial category-based expectancy. Experiment 4 confirmed that the extent to which high need-for-structure individuals attend to different types of information varies with their distribution. The discussion highlights that task affordances have a critical influence on the consequences of categorical processing for memory and social judgment. Thus, high need for structure does not necessarily equate closed-mindedness.

  1. Evaluation of aseismic integrity in HTTR core-bottom structure. Pt. 1. Aseismic test for core-bottom structure

    International Nuclear Information System (INIS)

    Iyoku, T.; Futakawa, M.; Ishihara, M.

    1994-01-01

    The aseismic tests were carried out using (1)/(5)-scale and (1)/(3)-scale models of the core-bottom structure of the HTTR to quantitatively evaluate the response of acceleration, strain, impact load etc. The following conclusions are obtained. (i) The frequency response of the keyway strain is correlative with that of the impact acceleration on the hot plenum block. (ii) It was confirmed through (1)/(5)-scale and (1)/(3)-scale model tests that the applied similarity law is valid to evaluate the seismic response characteristics of the core-bottom structure. (ii) The stress of graphite components estimated from the scale model test using S 2 -earthquake excitation was sufficiently lower than the allowable stress used as the design criterion. ((orig.))

  2. Understanding of the structure activity relationship of PtPd bimetallic catalysts prepared by surface organometallic chemistry and ion exchange during the reaction of iso-butane with hydrogen

    KAUST Repository

    Al-Shareef, Reem A.; Harb, Moussab; Saih, Youssef; Ould-Chikh, Samy; Roldan, Manuel A.; Anjum, Dalaver H.; Guyonnet, Elodie Bile; Candy, Jean-Pierre; Jan, Deng-Yang; Abdo, Suheil F.; Aguilar-Tapia, Antonio; Proux, Olivier; Hazemann, Jean-Louis; Basset, Jean-Marie

    2018-01-01

    Well-defined silica supported bimetallic catalysts Pt100-x Pdx were prepared by Surface Organometallic Chemistry (SOMC) and Ionic-Exchange (IE) methods. For all investigated catalysts, iso-butane reaction with hydrogen under differential conditions led to the formation of methane and propane, n-butane, and traces of iso-butylene. The total reaction rate decreased with increasing the Pd loading for both catalysts series as a result of decreasing turnover rate of both isomerization and hydrogenolysis. In the case of Pt100-x Pdx(SOMC) catalysts, the experimental results in combination with DFT calculations suggested a selective coverage of Pt (1 0 0) surface by agglomerated Pd atoms like “islands”, assuming that each metal roughly keeps its intrinsic catalytic properties with relatively small electron transfer from Pt to Pd in the case of Pt-rich sample and from Pd to Pt in the case of Pd-rich sample. For the PtPd catalysts prepared by IE, the catalytic behavior could be explained by the formation of a surface alloy between Pt and Pd in the case of Pd-rich sample and by the segregation of a small amount of Pd on the surface in the case of Pt-rich sample, as demonstrated by TEM, EXAFS and DFT. The catalytic results were explained by a structure activity relationship based on the proposed mechanism of CH bond and CC bond activation and cleavage for iso-butane hydrogenolysis, isomerization, cracking and dehydrogenation.

  3. Understanding of the structure activity relationship of PtPd bimetallic catalysts prepared by surface organometallic chemistry and ion exchange during the reaction of iso-butane with hydrogen

    KAUST Repository

    Alshareef, Reem Abdul aziz Hamed

    2018-04-25

    Well-defined silica supported bimetallic catalysts Pt100-x Pdx were prepared by Surface Organometallic Chemistry (SOMC) and Ionic-Exchange (IE) methods. For all investigated catalysts, iso-butane reaction with hydrogen under differential conditions led to the formation of methane and propane, n-butane, and traces of iso-butylene. The total reaction rate decreased with increasing the Pd loading for both catalysts series as a result of decreasing turnover rate of both isomerization and hydrogenolysis. In the case of Pt100-x Pdx(SOMC) catalysts, the experimental results in combination with DFT calculations suggested a selective coverage of Pt (1 0 0) surface by agglomerated Pd atoms like “islands”, assuming that each metal roughly keeps its intrinsic catalytic properties with relatively small electron transfer from Pt to Pd in the case of Pt-rich sample and from Pd to Pt in the case of Pd-rich sample. For the PtPd catalysts prepared by IE, the catalytic behavior could be explained by the formation of a surface alloy between Pt and Pd in the case of Pd-rich sample and by the segregation of a small amount of Pd on the surface in the case of Pt-rich sample, as demonstrated by TEM, EXAFS and DFT. The catalytic results were explained by a structure activity relationship based on the proposed mechanism of CH bond and CC bond activation and cleavage for iso-butane hydrogenolysis, isomerization, cracking and dehydrogenation.

  4. The evolution of magnetic structures due to open-quote open-quote magnetosonic streaming close-quote close-quote

    International Nuclear Information System (INIS)

    Ryutova, M.P.; Kaisig, M.; Tajima, T.

    1996-01-01

    The Faraday effect in gasdynamics called acoustic streaming and its accompanying nonlinear phenomena have analogies in plasma magnetohydrodynamics. A natural place where these effects may occur is the solar atmosphere with its strongly inhomogeneous magnetic fields concentrated in random magnetic flux tubes. Unlike acoustic streaming in the usual gasdynamics, nonlinear phenomena consisting in the generation of plasma flows by an oscillating magnetic flux tube, open-quote open-quote magnetosonic streaming close-quote close-quote (Ryutova 1986), is accompanied by a current drive and results in a specific evolution of magnetic structures: depending on the physical parameters of the medium a single magnetic flux tube may be either split into thinner flux tubes or dissolved diffusively into the ambient plasma. The effect of the open-quote open-quote magnetosonic streaming,close-quote close-quote on one hand, is an obvious candidate for the generation of mass flows at magnetic flux tubes sites, and on the other hand, it plays an essential role in the evolution of magnetic structures and ultimately may determine their lifetime. The theory of magnetosonic streaming is general and can be applied to other astrophysical objects that maintain oscillatory motions and contain structured magnetic fields or magnetic domains. We review analytical results and describe the origin of the magnetosonic streaming in magnetic flux tubes due to their interaction with acoustic waves. We study numerically the regime of the open-quote open-quote magnetosonic streaming close-quote close-quote corresponding to splitting of a magnetic flux tube. Our computer simulation supports and extends the analytical result. copyright 1996 The American Astronomical Society

  5. Structure and magnetic properties of L10-FePt thin films on TiN/RuAl underlayers

    International Nuclear Information System (INIS)

    Yang En; Ratanaphan, Sutatch; Zhu Jiangang; Laughlin, David E.

    2011-01-01

    Highly ordered L1 0 FePt-oxide thin films with small grains were prepared by using a RuAl layer as a grain size defining seed layer along with a TiN barrier layer. Different HAMR (Heat Assisted Magnetic Recording) favorable underlayers were studied to encourage perpendicular texture and preferred microstructure. It was found that the epitaxial and small grain growth from the RuAl/TiN underlayer results in small and uniform grains in the FePt layer with perpendicular texture. By introducing the grain size defining underlayers, the FePt grain size can be reduced from 30 to 6 nm with the same volume fraction (9%) of SiO 2 in the film, excellent perpendicular texture, and very high order parameter at 520 deg. C.

  6. Density functional investigation of the adsorption effects of PH3 and SH2 on the structure stability of the Au55 and Pt55 nanoclusters

    Science.gov (United States)

    Guedes-Sobrinho, Diego; Chaves, Anderson S.; Piotrowski, Maurício J.; Da Silva, Juarez L. F.

    2017-04-01

    Although several studies have been reported for Pt55 and Au55 nanoclusters, our atomistic understanding of the interplay between the adsorbate-surface interactions and the mechanisms that lead to the formation of the distorted reduced core (DRC) structures, instead of the icosahedron (ICO) structure in gas phase, is still far from satisfactory. Here, we report a density functional theory (DFT) investigation of the role of the adsorption effects of PH3 (one lone pair of electrons) and SH2 (two lone pairs) on the relative stability of the Pt55 and Au55 nanoclusters. In gas phase, we found that the DRC structures with 7 and 9 atoms in the core region are about 5.34 eV (Pt55) and 2.20 eV (Au55) lower in energy than the ICO model with Ih symmetry and 13 atoms in the core region. However, the stability of the ICO structure increases by increasing the number of adsorbed molecules from 1 to 18, in which both DRC and ICO structures are nearly degenerate in energy at the limit of 18 ligands, which can be explained as follows. In gas phase, there is a strong compression of the cationic core region by the anionic surface atoms induced by the attractive Coulomb interactions (core+-surface-), and hence, the strain release is obtained by reducing the number of atoms in the cationic core region, which leads to the 55 atoms distorted reduced core structures. Thus, the Coulomb interactions between the core+ and surface- contribute to break the symmetry in the ICO55 structure. On the other hand, the addition of ligands on the anionic surface reduces the charge transfer between the core and surface, which contributes to decrease the Coulomb interactions and the strain on the core region of the ICO structure, and hence, it stabilizes a compact ICO structure. The same conclusion is obtained by adding van der Waals corrections to the plain DFT calculations. Similar results are obtained by the addition of steric effects, which are considered through the adsorption of triphenylphosphine

  7. Density functional investigation of the adsorption effects of PH3 and SH2 on the structure stability of the Au55 and Pt55 nanoclusters.

    Science.gov (United States)

    Guedes-Sobrinho, Diego; Chaves, Anderson S; Piotrowski, Maurício J; Da Silva, Juarez L F

    2017-04-28

    Although several studies have been reported for Pt 55 and Au 55 nanoclusters, our atomistic understanding of the interplay between the adsorbate-surface interactions and the mechanisms that lead to the formation of the distorted reduced core (DRC) structures, instead of the icosahedron (ICO) structure in gas phase, is still far from satisfactory. Here, we report a density functional theory (DFT) investigation of the role of the adsorption effects of PH 3 (one lone pair of electrons) and SH 2 (two lone pairs) on the relative stability of the Pt 55 and Au 55 nanoclusters. In gas phase, we found that the DRC structures with 7 and 9 atoms in the core region are about 5.34 eV (Pt 55 ) and 2.20 eV (Au 55 ) lower in energy than the ICO model with I h symmetry and 13 atoms in the core region. However, the stability of the ICO structure increases by increasing the number of adsorbed molecules from 1 to 18, in which both DRC and ICO structures are nearly degenerate in energy at the limit of 18 ligands, which can be explained as follows. In gas phase, there is a strong compression of the cationic core region by the anionic surface atoms induced by the attractive Coulomb interactions (core + -surface - ), and hence, the strain release is obtained by reducing the number of atoms in the cationic core region, which leads to the 55 atoms distorted reduced core structures. Thus, the Coulomb interactions between the core + and surface - contribute to break the symmetry in the ICO 55 structure. On the other hand, the addition of ligands on the anionic surface reduces the charge transfer between the core and surface, which contributes to decrease the Coulomb interactions and the strain on the core region of the ICO structure, and hence, it stabilizes a compact ICO structure. The same conclusion is obtained by adding van der Waals corrections to the plain DFT calculations. Similar results are obtained by the addition of steric effects, which are considered through the adsorption of

  8. Atomic resolution structural insights into PdPt nanoparticle–carbon interactions for the design of highly active and stable electrocatalysts

    International Nuclear Information System (INIS)

    Slanac, Daniel A.; Li Lin; Mayoral, Alvaro; Yacaman, Miguel José; Manthiram, Arumugam; Stevenson, Keith J.; Johnston, Keith P.

    2012-01-01

    Graphical abstract: - Abstract: Interfacial interactions between sub-4 nm metal alloy nanoparticles and carbon supports, although not well understood at the atomic level, may be expected to have a profound influence on catalytic properties. Pd 3 Pt 2 alloy particles comprised of a disordered surface layer over a corrugated crystalline core are shown to exhibit strong interfacial interactions with a ∼20–50 nm spherical carbon support, as characterized by probe aberration corrected scanning transmission electron microscopy (pcSTEM). The disordered shells were formed from defects introduced by Pd during arrested growth synthesis of the alloy nanoparticles. The chemical and morphological changes in the catalyst, before and after cyclic stability testing (1000 cycles, 0.5–1.2 V), were probed with cyclic voltammetry (CV), X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD) and pcSTEM. The strong metal–support interaction, along with the uniform alloy structure raised the mass activity by a factor of 1.8 versus pure Pt. The metal–support interactions also mitigated nanoparticle coalescence, dissolution, and ripening, resulting in only a 20% loss in mass activity (versus 60% for pure Pt on carbon) after the cyclic stability test. The design of alloy structure, guided by insight from atomic scale pcSTEM, for enhanced catalytic activity and stability, resulting from strong wetting with a deformable disordered shell, has the potential to be a general paradigm for improving catalytic performance.

  9. Normally closed microgrippers using a highly stressed diamond-like carbon and Ni bimorph structure

    Science.gov (United States)

    Luo, J. K.; Flewitt, A. J.; Spearing, S. M.; Fleck, N. A.; Milne, W. I.

    2004-12-01

    A normally closed microgripper with a radius of curvature of 18-50 μm using a diamond-like carbon (DLC) and stress free electroplated Ni bimorph structure has been demonstrated. The large curvature in the fingers of the microgrippers is due to the high compressive stress of the DLC layer. The radius of curvature of the figures can be adjusted by the thickness ratio, and the closure of the devices can also be adjusted by varying the finger length. This device works much more efficiently than other bimorph structures due to the large difference in thermal expansion coefficients between the DLC and the Ni layers. Preliminary electrical tests have shown these microgrippers can be opened by 60°-90° at an applied power of <20mW.

  10. Structural and magnetic properties of {open_quotes}expanded{close_quotes} Mn

    Energy Technology Data Exchange (ETDEWEB)

    Grigorov, I.L.; Walker, J.C. [Department of Physics and Astronomy, The Johns Hopkins University, Baltimore, Maryland21218 (United States); Hawley, M.E.; Brown, G.W. [Materials Science and Technology Division, Los Alamos National Laboratory, Los Alamos, New Mexico87545 (United States); Luett, M.; Fitzsimmons, M.R. [Manuel Lujan Jr. Neutron Scattering Center, Los Alamos National Laboratory, Los Alamos, New Mexico87545 (United States)

    1998-06-01

    Structural and magnetic properties of {open_quotes}expanded{close_quotes} Mn deposited on (111) oriented fcc noble metals were studied with single-crystal x-ray diffraction and exchange bias measurements. A single peak corresponding to this phase was found at momentum transfer q=2.86{Angstrom}{sup {minus}1} along six equivalent [11{bar 2}] directions of the noble metal substrate. Magnetic hysteresis of the field cooled Fe/Mn bilayers exhibited a characteristic shift along the field axis, indicating antiferromagnetic order in the expanded Mn with T{sub N}{ge}20K. The magnetic and structural data are consistent with understanding the expanded phase as trigonally distorted {alpha}-Mn. {copyright} {ital 1998 American Institute of Physics.}

  11. X-ray diffraction and Moessbauer studies of structural changes and L10 ordering kinetics during annealing of polycrystalline Fe51Pt49 thin films

    International Nuclear Information System (INIS)

    Spada, F.E.; Parker, F.T.; Platt, C.L.; Howard, J.K.

    2003-01-01

    Room-temperature x-ray diffraction and Moessbauer effect techniques have been used to characterize the structural features and local atomic environments of sputtered Fe 51 Pt 49 thin films following various isothermal treatments. Both techniques show that no significant changes occur in the chemically ordered L1 0 tetragonal phase after it has formed. In contrast, changes in the disordered face-centered-cubic (fcc) phase are observed prior to the transformation into the ordered tetragonal phase. Moessbauer measurements indicate the development of increasing short-range order in the disordered fcc phase with increasing annealing temperature. Asymmetries in the fcc x-ray diffraction profiles also suggest the presence of lattice distortions caused by atomic size differences commonly found in the quenched disordered fcc phase of materials that form ordered structures. Quasi-real-time kinetic measurements of the disorder→order transformation in sputtered Fe 51 Pt 49 thin films within the temperature range 300 deg. C≤T≤400 deg. C have also been conducted using high-temperature x-ray diffraction techniques. Significant differences are observed between the kinetic parameters determined in this study and those of previous reports. It is proposed that these differences arise from the lower temperature range investigated in the present work, where the gradual changes occurring in the fcc phase can influence the rate of the ordering transformation. Furthermore, because the initial state of disorder in Fe ∼50 Pt ∼50 films can be influenced by the deposition conditions, variability in the low-temperature ordering kinetics should be expected among Fe ∼50 Pt ∼50 films prepared under different conditions

  12. Close correlation between the reaction mechanism and inner structure of loosely halo-nuclei

    International Nuclear Information System (INIS)

    Liu Jianye; Tianshui Normal Univ., Tianshui; National Laboratory of Heavy Ion Accelerator of Lanzhou, Lanzhou; Guo Wenjun; Ren Zhongzhou; National Laboratory of Heavy Ion Accelerator of Lanzhou, Lanzhou; Xing Yongzhong; National Laboratory of Heavy Ion Accelerator of Lanzhou, Lanzhou

    2006-01-01

    It was based on the comparisons of the variance properties of fragment multiplicities FM's and nuclear stoppings R's for the neutron-halo colliding system with those of FZ's and R's for the proton-halo colliding system with the increases of beam energy in more detail, the closely correlations between the reaction mechanism and the inner structures of halo-nuclei is found. From above comparisons it is found that the variance properties of fragment multiplicities and nuclear stopping with the increases of beam energy are quite different for the neutron-halo and proton halo colliding systems, such as the effects of loosely bound neutron-halo structure on the fragment multiplicities and nuclear stopping are obviously larger than those for the proton-halo colliding system. This is due to that the structures of halo-neutron nucleus 11 Li is more loosely than that of the proton-halo nucleus 23 Al. In this case, the fragment multiplicity and nuclear stopping of halo nuclei may be used as a possible probe for studying the reaction mechanism and the correlation between the reaction mechanism and the inner structure of halo-nuclei. (authors)

  13. Exchange interaction in MnPt/FeCo sputtered multilayers

    International Nuclear Information System (INIS)

    Honda, S.; Nawate, M.; Norikane, T.

    2000-01-01

    MnPt single-layer films have been prepared on glass substrates by RF magnetron sputtering for studying the composition dependencies of resistivity and crystalline structure. In the as-deposited state, the resistivity increases with Mn content and reaches the maximum at 69 at%. By annealing, the resistivity of the films having the Mn content around 51 at% increases, closely relating to the growth of the ordered CuAu FCT-type MnPt crystals. For the both film structures of the glass/Cu/FeCo/MnPt/Cu and the glass/MnPt/FeCo/Cu, which have been sputter-deposited on glass substrates, the exchange interaction between MnPt and FeCo layers, and the coercivity of the FeCo layer have been examined as functions of the Mn content, the layer thickness and the annealing temperature. In the as-deposited state, the exchange field (H ex ) is nearly zero up to 75 at% of Mn content, above which the value of H ex increases and shows the maximum at 85 at%, in which the blocking temperature is about 100 deg. C. By annealing, the value of H ex increases for the films of Mn content around 40-60 at%, exhibiting the higher blocking temperature than 360 deg. C. The temperature stability has also been examined using the Rutherford backscattering spectrometry

  14. Synthesis and some coordination chemistry of the PSnP pincer-type stannylene Sn(NCH2PtBu2)2C6H4, attempts to prepare the PSiP analogue, and the effect of the E atom on the molecular structures of E(NCH2PtBu2)2C6H4 (E = C, Si, Ge, Sn).

    Science.gov (United States)

    Brugos, Javier; Cabeza, Javier A; García-Álvarez, Pablo; Pérez-Carreño, Enrique; Polo, Diego

    2018-03-26

    The non-donor-stabilized PSnP pincer-type stannylene Sn(NCH2PtBu2)2C6H4 (1) has been prepared by treating SnCl2 with Li2(NCH2PtBu2)2C6H4. All attempts to synthesize the analogous PSiP silylene by reduction of the (previously unknown) silanes SiCl2(NCH2PtBu2)2C6H4 (2), SiHCl(NCH2PtBu2)2C6H4 (3) and SiH(HMDS)(NCH2PtBu2)2C6H4 (4; HMDS = N(SiMe3)2) have been unsuccessful. The almost planar (excluding the tert-butyl groups) molecular structure of stannylene 1 (determined by X-ray crystallography) has been rationalized with the help of DFT calculations, which have shown that, in the series of diphosphanetetrylenes E(NCH2PtBu2)2C6H4 (E = C, Si, Ge, Sn), the most stable conformation of the compounds with E = Ge and Sn has both P atoms very close to the EN2C6H4 plane, near (interacting with) the E atom, whereas for the compounds with E = C and Si, both phosphane groups are located at one side of the EN2C6H4 plane and far away from the E atom. The size of the E atom and the strength of stabilizing donor-acceptor PE interactions (both increase on going down in group 14) are key factors in determining the molecular structures of these diphosphanetetrylenes. The syntheses of the chloridostannyl complexes [Rh{κ2Sn,P-SnCl(NCH2PtBu2)2C6H4}(η4-cod)] (5), [RuCl{κ2Sn,P-SnCl(NCH2PtBu2)2C6H4}(η6-cym)] (6) and [IrCl{κ2Sn,P-SnCl(NCH2PtBu2)2C6H4}(η5-C5Me5)] (7) have demonstrated the tendency of stannylene 1 to insert its Sn atom into M-Cl bonds of transition metal complexes and the preference of the resulting PSnP chloridostannyl group to act as a κ2Sn,P-chelating ligand, maintaining an uncoordinated phosphane fragment. X-ray diffraction data (of 6), 31P{1H} NMR data (of 5-7) and DFT calculations (on 6) are consistent with the existence of a weak PSn interaction involving the non-coordinated P atom of complexes 5-7, similar to that found in stannylene 1.

  15. Neutral Guest Capture via Lewis Acid/Base Molecular Square Receptors. X-ray Crystal Structure of {Cyclobis[(cis-(dppp)Pt(4-ethynylpyridyl)(2))(cis- (PEt(3))(2)Pt)]Ag(2)}(+6)(phenazine)- ((-)OSO(2)CF(3))(6).

    Science.gov (United States)

    Whiteford, Jeffery A.; Stang, Peter J.; Huang, Songping D.

    1998-10-19

    Interaction of {cyclobis[(cis-(dppp)Pt(4-ethynylpyridyl)(2))(cis-(L)M)]Ag(2)}(+6)((-)OSO(2)CF(3))(6), where M = Pt(II) or Pd(II) and L = dppp or 2PEt(3), with pyridine, pyrazine, phenazine, or 4,4'-dipyridyl ketone results in coordination Lewis acid/base host-guest assemblies via the "pi-tweezer effect" and mono or bis neutral guest coordination. All host-guest complexes are air stable microcrystalline solids with decomposition points greater than 170 degrees C. The homometallic Pt(II) receptors are more stable than the heteroaromatic Pt(II)-Pd(II) receptors toward heteratom-containing aromatic guests. The X-ray crystal structure of the host-guest complex {cyclobis[(cis-(dppp)Pt(4-ethynylpyridyl)(2))(cis-(PEt(3))(2)Pt)]Ag(2)}(+6)(phenazine)((-)OSO(2)CF(3))(6) is reported. The crystals with the empirical formula C(62)H(68)AgF(9)N(3)O(9)P(4)Pt(2)S(3) are triclinic P&onemacr; with a = 12.3919(8) Å, b = 17.160(1) Å, c = 18.932(1) Å, alpha = 90.892(1) degrees, beta = 97.127(1) degrees, gamma = 89.969(1) degrees, and Z = 2.

  16. Low-dimensional compounds containing cyano groups. XIV. Crystal structure, spectroscopic, thermal and magnetic properties of [CuL 2][Pt(China)4] complexes (L=ethylenediamine or N,N-dimethylethylenediamine)

    International Nuclear Information System (INIS)

    Potocnak, Ivan; Vavra, Martin; Cizmar, Erik; Tibenska, Katarina; Orendacova, Alzbeta; Steinborn, Dirk; Wagner, Christoph; Dusek, Michal; Fejfarova, Karla; Schmidt, Harry; Muller, Thomas; Orendac, Martin; Feher, Alexander

    2006-01-01

    Violet crystals of [Cu(en) 2 ][Pt(China) 4 ] and blue crystals of [Cu(dmen) 2 ][Pt(China) 4 ] were crystallized from the water-methanol solution containing CuCl 2 .2H 2 O, ethylenediamine (en) or N,N-dimethylethylenediamine (dmen) and K 2 [Pt(China) 4 ].3H 2 O. Both compounds were characterized using elemental analysis, infrared and UV-VIS spectroscopy, magnetic measurements, specific heat measurements and thermal analysis. X-ray structure analysis revealed chain-like structure in both compounds. The covalent chains are built of Cu(II) ions linked by [Pt(China) 4 ] 2- anions in the [111] and [101] direction, respectively. The Cu(II) atoms are hexacoordinated by four nitrogen atoms in the equatorial plane from two molecules of bidentate ligands L with average Cu-N distance of 2.022(2) and 2.049(4) A, respectively. Axial positions are occupied by two nitrogen atoms from bridging [Pt(China) 4 ] 2- anions at longer Cu-N distance of 2.537(2) and 2.600(5) A, respectively. Both materials are characterized by the presence of weak antiferromagnetic exchange coupling. Despite the one-dimensional (1D) character of the structure, the analysis of magnetic properties and specific heat at very low temperatures shows that [Cu(en) 2 ][Pt(China) 4 ] behaves as two-dimensional (2D) spatially anisotropic square lattice Heisenberg magnet, while more pronounced influence of interlayer coupling is observed in [Cu(dmen) 2 ][Pt(China) 4 ]. - Graphical abstract: Chain-like structure in [Cu(en) 2 ][Pt(China) 4 ] (R=H) and [Cu(dmen) 2 ][Pt(China) 4 ] (R=CH 3 ) compounds

  17. The importance of family management, closeness with father and family structure in early adolescent alcohol use.

    Science.gov (United States)

    Habib, Cherine; Santoro, Joseph; Kremer, Peter; Toumbourou, John; Leslie, Eva; Williams, Joanne

    2010-10-01

    To examine the importance of family management, family structure and father-adolescent relationships on early adolescent alcohol use. Cross-sectional data was collected across 30 randomly selected Australian communities stratified to represent a range of socio-economic and regional variation. Data were collected during school time from adolescents attending a broad range of schools. The sample consisted of a combined 8256 students (aged 10-14 years). Students completed a web-based survey as part of the Healthy Neighbourhoods project. Family management-which included practices such as parental monitoring and family rules about alcohol use-had the strongest and most consistent relationship with alcohol use in early adolescence. Adolescents reporting higher family management were less likely to have drunk alcohol in their life-time, less likely to drink alcohol in the preceding 30 days and less likely to have had an alcohol binge. Adolescents reporting emotionally close relationships with their fathers were less likely to have drunk alcohol in their life-time and less likely to have had an alcohol binge in the preceding fortnight. Findings indicate that family management practices may contribute to alcohol abstinence in adolescents. Furthermore, emotionally close father-adolescent relationships may also foster abstinence; however, fathers' drinking behaviours need to be considered. © 2010 The Authors, Addiction © 2010 Society for the Study of Addiction.

  18. Investigation of the commensurate magnetic structure in the heavy-fermion compound CePt2In7 using magnetic resonant x-ray diffraction

    Science.gov (United States)

    Gauthier, Nicolas; Wermeille, Didier; Casati, Nicola; Sakai, Hironori; Baumbach, Ryan E.; Bauer, Eric D.; White, Jonathan S.

    2017-08-01

    We investigated the magnetic structure of the heavy-fermion compound CePt2In7 below TN=5.34 (2 ) K using magnetic resonant x-ray diffraction at ambient pressure. The magnetic order is characterized by a commensurate propagation vector k1 /2=(1/2 ,1/2 ,1/2 ) with spins lying in the basal plane. Our measurements did not reveal the presence of an incommensurate order propagating along the high-symmetry directions in reciprocal space but cannot exclude other incommensurate modulations or weak scattering intensities. The observed commensurate order can be described equivalently by either a single-k structure or by a multi-k structure. Furthermore we explain how a commensurate-only ordering may explain the broad distribution of internal fields observed in nuclear quadrupolar resonance experiments [Sakai et al., Phys. Rev. B 83, 140408 (2011), 10.1103/PhysRevB.83.140408] that was previously attributed to an incommensurate order. We also report powder x-ray diffraction showing that the crystallographic structure of CePt2In7 changes monotonically with pressure up to P =7.3 GPa at room temperature. The determined bulk modulus B0=81.1 (3 ) GPa is similar to those of the Ce-115 family. Broad diffraction peaks confirm the presence of pronounced strain in polycrystalline samples of CePt2In7 . We discuss how strain effects can lead to different electronic and magnetic properties between polycrystalline and single crystal samples.

  19. Time-Darts: A Data Structure for Verification of Closed Timed Automata

    Directory of Open Access Journals (Sweden)

    Jiří Srba

    2012-11-01

    Full Text Available Symbolic data structures for model checking timed systems have been subject to a significant research, with Difference Bound Matrices (DBMs still being the preferred data structure in several mature verification tools. In comparison, discretization offers an easy alternative, with all operations having linear-time complexity in the number of clocks, and yet valid for a large class of closed systems. Unfortunately, fine-grained discretization causes itself a state-space explosion. We introduce a new data structure called time-darts for the symbolic representation of state-spaces of timed automata. Compared with the complete discretization, a single time-dart allows to represent an arbitrary large set of states, yet the time complexity of operations on time-darts remain linear in the number of clocks. We prove the correctness of the suggested reachability algorithm and perform several experiments in order to compare the performance of time-darts and the complete discretization. The main conclusion is that in all our experiments the time-dart method outperforms the complete discretization and it scales significantly better for models with larger constants.

  20. Simple shearing flow of dry soap foams with tetrahedrally close-packed structure

    Energy Technology Data Exchange (ETDEWEB)

    Reinelt, Douglas A. [Department of Mathematics, Southern Methodist University, Dallas, Texas 75275-0156 (United States); Kraynik, Andrew M. [Engineering Sciences Center, Sandia National Laboratories, Albuquerque, New Mexico 87185-0834 (United States)

    2000-05-01

    The microrheology of dry soap foams subjected to quasistatic, simple shearing flow is analyzed. Two different monodisperse foams with tetrahedrally close-packed (TCP) structure are examined: Weaire-Phelan (A15) and Friauf-Laves (C15). The elastic-plastic response is evaluated by using the Surface Evolver to calculate foam structures that minimize total surface area at each value of strain. The foam geometry and macroscopic stress are piecewise continuous functions of strain. The stress scales as T/V{sup 1/3}, where T is surface tension and V is cell volume. Each discontinuity corresponds to large changes in foam geometry and topology that restore equilibrium to unstable configurations that violate Plateau's laws. The instabilities occur when the length of an edge on a polyhedral foam cell vanishes. The length can tend to zero smoothly or abruptly with strain. The abrupt case occurs when a small increase in strain changes the energy profile in the neighborhood of a foam structure from a local minimum to a saddle point, which can lead to symmetry-breaking bifurcations. In general, the new structure associated with each stable solution branch results from an avalanche of local topology changes called T1 transitions. Each T1 cascade produces different cell neighbors, reduces surface energy, and provides an irreversible, film-level mechanism for plastic yield behavior. Stress-strain curves and average stresses are evaluated by examining foam orientations that admit strain-periodic behavior. For some orientations, the deformation cycle includes Kelvin cells instead of the original TCP structure; but the foam does not remain perfectly ordered. Bifurcations during subsequent T1 cascades lead to disorder and can even cause strain localization. (c) 2000 Society of Rheology.

  1. Closing the research to practice gap in children's mental health: structures, solutions, and strategies.

    Science.gov (United States)

    Jensen, Peter S; Foster, Michael

    2010-03-01

    Failure to apply research on effective interventions spans all areas of medicine, including children's mental health services. This article examines the policy, structural, and economic problems in which this gap originates. We identify four steps to close this gap. First, the field should develop scientific measures of the research-practice gap. Second, payors should link incentives to outcomes-based performance measures. Third, providers and others should develop improved understanding and application of effective dissemination and business models. Fourth, efforts to link EBP to clinical practice should span patient/consumers, providers, practices, plans, and purchasers. The paper discusses each of these in turn and relates them to fundamental problems of service delivery.

  2. Relationship between the electronic structure and the glide in the hexagonal close packed metals

    International Nuclear Information System (INIS)

    Legrand, B.; Le Hazif, R.

    1983-06-01

    In all hexagonal close-packed metals (HCP), deformation is performed by slip on a mean glide system (MGS) and on several secondary systems. There are no reliable predictions of the MGS choice. In this paper is shown the role played by the electronic structure on the choice of glide system in HCP metals. MGS is basal for all normal metals and is a function of the electron number in HCP transition metals. The different SFE's were calculated using appropriate total energy models, for different metals. Thus pseudopotentials were used (or empirical pair potentials) for normal metals, and a tight-binding model for transition metals. The most important results are the following: prismatic SFE (PSFE) is smaller than basal SFE (BSFE) for Y, Ti, Zr, Hf, Ru and Os; BSFE is smaller than PSFE for Co and all normal metals; BSFE and PSFe and about the same for RE and Tc

  3. Synthesis, crystal structure and computational chemistry research of a Zinc(II complex: [Zn(Pt(Biim2

    Directory of Open Access Journals (Sweden)

    Teng Fei

    2012-01-01

    Full Text Available The title metal-organic coordination complex [Zn(pt(Biim2] (pt=phthalic acid, benzene-1,2-dicarboxylate, Biim=2,2'-biimidazole 1 has been obtained by using hydrothermal synthesis and characterized by single-crystal X-ray diffraction. The complex crystallizes in monoclinic, space group P21/n with a = 8.5466(15 Å, b = 11.760(2 Å, c = 20.829(4 Å, β = 95.56(2º, V = 2083.5(6 Å3, Mr =497.78, Dc = 1.587 g/cm3, μ(MoKα = 1.226 mm−1, F(000 = 1016, Z = 4, the final R = 0.0564 and wR = 0.1851 for 3656 observed reflections (I > 2σ(I. The elemental analysis, IR, TG and the theoretical calculation were also investigated.

  4. Pt skin coated hollow Ag-Pt bimetallic nanoparticles with high catalytic activity for oxygen reduction reaction

    Science.gov (United States)

    Fu, Tao; Huang, Jianxing; Lai, Shaobo; Zhang, Size; Fang, Jun; Zhao, Jinbao

    2017-10-01

    The catalytic activity and stability of electrocatalyst is critical for the commercialization of fuel cells, and recent reports reveal the great potential of the hollow structures with Pt skin coat for developing high-powered electrocatalysts due to their highly efficient utilization of the Pt atoms. Here, we provide a novel strategy to prepare the Pt skin coated hollow Ag-Pt structure (Ag-Pt@Pt) of ∼8 nm size at room temperature. As loaded on the graphene, the Ag-Pt@Pt exhibits a remarkable mass activity of 0.864 A/mgPt (at 0.9 V, vs. reversible hydrogen electrode (RHE)) towards oxygen reduction reaction (ORR), which is 5.30 times of the commercial Pt/C catalyst, and the Ag-Pt@Pt also shows a better stability during the ORR catalytic process. The mechanism of this significant enhancement can be attributed to the higher Pt utilization and the unique Pt on Ag-Pt surface structure, which is confirmed by the density functional theory (DFT) calculations and other characterization methods. In conclusion, this original work offers a low-cost and environment-friendly method to prepare a high active electrocatalyst with cheaper price, and this work also discloses the correlation between surface structures and ORR catalytic activity for the hollow structures with Pt skin coat, which can be instructive for designing novel advanced electrocatalysts for fuel cells.

  5. Processing information about support exchanges in close relationships: The role of a knowledge structure

    Directory of Open Access Journals (Sweden)

    Bulent eTuran

    2016-02-01

    Full Text Available People develop knowledge of interpersonal interaction patterns (e.g., prototypes and schemas, which shape how they process incoming information. One such knowledge structure based on attachment theory was examined: the secure base script (the prototypic sequence of events when an attachment figure comforts a close relationship partner in distress. In two studies (N = 53 and N = 119, participants were shown animated film clips in which geometric figures depicted the secure base script and asked to describe the animations. Both studies found that many people readily recognize the secure-base script from these minimal cues quite well, suggesting that this script is not only available in the context of specific relationships (i.e., a relationship-specific knowledge: The generalized (abstract structure of the script is also readily accessible, which would make it possible to apply it to any relationship (including new relationships. Regression analyses suggested that participants who recognized the script were more likely to (a include more animation elements when describing the animations, (b see a common theme in different animations, (c create better organized stories, and (d later recall more details of the animations. These findings suggest that access to this knowledge structure helps a person organize and remember relevant incoming information. Furthermore, in both Study 1 and Study 2, individual differences in the ready recognition of the script were associated with individual differences in having access to another related knowledge: indicators suggesting that a potential relationship partner can be trusted to be supportive and responsive at times of stress. Results of Study 2 also suggest that recognizing the script is associated with those items of an attachment measure that concern giving and receiving support. Thus, these knowledge structures may shape how people process support-relevant information in their everyday lives, potentially

  6. First-principles structures for the close-packed and the 7/2 motif of collagen

    DEFF Research Database (Denmark)

    Jalkanen, Karl J.; Olsen, Kasper; Knapp-Mohammady, Michaela

    2012-01-01

    The newly proposed close-packed motif for collagen and the more established 7/2 structure are investigated and compared. First-principles semi-empirical wave function theory and Kohn-Sham density functional theory are applied in the study of these relatively large and complex structures. The stru......The newly proposed close-packed motif for collagen and the more established 7/2 structure are investigated and compared. First-principles semi-empirical wave function theory and Kohn-Sham density functional theory are applied in the study of these relatively large and complex structures...

  7. Structure, magnetism, and interface properties of epitactical thin Fe and FePt films on GaAs(001) substrates; Struktur, Magnetismus und Grenzflaecheneigenschaften epitaktischer duenner Fe- und FePt-Filme auf GaAs(001)-Substraten

    Energy Technology Data Exchange (ETDEWEB)

    Schuster, Ellen Ursula

    2007-12-17

    The research in this thesis is focused on the study of the Fe spin structure and interface magnetism of thin epitaxial Fe layers or epitaxial FePt alloy films with chemical L1{sub 0} order on GaAs(001) surfaces. The main method of investigation was isotope-specific conversion electron Moessbauer spectroscopy (CEMS) combined with the {sup 57}Fe probe-layer technique in the temperature range of 4.2-300 K. The film structure was studied using electron diffraction (RHEED) and X-ray diffraction (XRD). The chemical order parameter S determined by XRD was found to increase with rising growth temperature, T{sub S}, to a maximum value of 0.71, until long range order is destroyed at T{sub S}>350 C by alloying with the substrate. As an important result a linear correlation between short-range order (revealed by the relative spectral area of the L1{sub 0} phase) and long-range order S was observed. The observed perpendicular Fe spin texture, characterized by the mean tilting angle left angle {theta} right angle of the Fe spins (relative to the film normal direction), was found to correlate with the L1{sub 0} phase content and with S. Furthermore, epitaxial Fe(001) films on GaAs(001)-(4 x 6) and on GaAs(001)-LED surfaces were grown successfully. In the initial stage of Fe film growth non-monotonous behavior of the in-plane lattice parameter was observed by RHEED. The magnetic hyperfine field distributions P(B{sub hf}) at the Fe/GaAs interface extracted from CEMS spectra for T{sub S}=-140 C or room temperature (RT) were found to be very similar. The observed large mean hyperfine fields of left angle B{sub hf} right angle {approx}25-27 T at the interface indicate the presence of high average Fe moments of 1.7-1.8 {mu}{sub B}. Nonmagnetic interface layers either can be excluded (Fe/GaAs) or are very thin (0.5 ML,Fe/GaAs-LED). Owing to its island structure an ultrathin (1.9 ML thick) uncoated Fe(001) film on GaAs(001)-(4 x 6) shows superparamagnetism with a blocking temperature of

  8. A structural study of effects of NiP seed layer on the magnetic properties of CoCrPt/Ti/NiP perpendicular magnetic films

    CERN Document Server

    Sun, C J; Wang, J P; Soo, E W; Noh, D Y; Je, J H; Hwu, Y K

    2003-01-01

    The CoCrPt/Ti/NiP films for perpendicular magnetic recording were studied using X-ray scattering and anomalous X-ray scattering. When the NiP seed layer was used, the long range order of the texture peak of the magnetic film decreased and less Co was associated with this Bragg order. The structural results were consistent with the observed increased coercivity and decreased magnetization due to the increased magnetic grain isolation caused by the presence of NiP seed layer.

  9. Exchange coupled CoPt/FePtC media for heat assisted magnetic recording

    Science.gov (United States)

    Dutta, Tanmay; Piramanayagam, S. N.; Ru, Tan Hui; Saifullah, M. S. M.; Bhatia, C. S.; Yang, Hyunsoo

    2018-04-01

    L10 FePtC granular media are being studied as potential future magnetic recording media and are set to be used in conjunction with heat assisted magnetic recording (HAMR) to enable recording at write fields within the range of current day recording heads. Media structures based on a FePtC storage layer and a capping layer can alleviate the switching field distribution (SFD) requirements of HAMR and reduce the noise originating from the writing process. However, the current designs suffer from SFD issues due to high temperature writing. To overcome this problem, we study a CoPt/FePtC exchange coupled composite structure, where FePtC serves as the storage layer and CoPt (with higher Curie temperature, Tc) as the capping layer. CoPt remains ferromagnetic at near Tc of FePtC. Consequently, the counter exchange energy from CoPt would reduce the noise resulting from the adjacent grain interactions during the writing process. CoPt/FePtC bilayer samples with different thicknesses of CoPt were investigated. Our studies found that CoPt forms a continuous layer at a thickness of 6 nm and leads to considerable reduction in the saturation field and its distribution.

  10. Structures of RNA Polymerase Closed and Intermediate Complexes Reveal Mechanisms of DNA Opening and Transcription Initiation.

    Science.gov (United States)

    Glyde, Robert; Ye, Fuzhou; Darbari, Vidya Chandran; Zhang, Nan; Buck, Martin; Zhang, Xiaodong

    2017-07-06

    Gene transcription is carried out by RNA polymerases (RNAPs). For transcription to occur, the closed promoter complex (RPc), where DNA is double stranded, must isomerize into an open promoter complex (RPo), where the DNA is melted out into a transcription bubble and the single-stranded template DNA is delivered to the RNAP active site. Using a bacterial RNAP containing the alternative σ 54 factor and cryoelectron microscopy, we determined structures of RPc and the activator-bound intermediate complex en route to RPo at 3.8 and 5.8 Å. Our structures show how RNAP-σ 54 interacts with promoter DNA to initiate the DNA distortions required for transcription bubble formation, and how the activator interacts with RPc, leading to significant conformational changes in RNAP and σ 54 that promote RPo formation. We propose that DNA melting is an active process initiated in RPc and that the RNAP conformations of intermediates are significantly different from that of RPc and RPo. Copyright © 2017 The Author(s). Published by Elsevier Inc. All rights reserved.

  11. Structure/activity of Pt{sup II}/N,N-disubstituted-N'-acylthiourea complexes: Anti-tumor and anti-mycobacterium tuberculosis activities

    Energy Technology Data Exchange (ETDEWEB)

    Plutín, Ana M.; Alvarez, Anislay; Mocelo, Raúl; Ramos, Raúl; Sánchez, Osmar C. [Laboratorio de Síntesis Orgánica, Facultad de Química, Universidad de La Habana (Cuba); Castellano, Euardo E. [Universidade de São Paulo (USP), São Carlos, SP (Brazil); Silva, Monize M. da; Villarreal, Wilmer; Colina-Vegas, Legna; Batista, Alzir A. [Universidade Federal de São Carlos (UFSCar), SP (Brazil); Pavan, Fernando R., E-mail: anap@fq.uh.cu, E-mail: daab@ufscar.br [Universidade Estadual Paulista Julio de Mesquita Filho (UNESP), Araraquara, SP (Brazil). Faculdade de Ciências Farmacêuticas

    2018-05-01

    The syntheses, characterization, cytotoxicity against tumor cells and anti-Mycobacterium tuberculosis activity assays of Pt{sup II}/PPh{sub 3}/N,N-disubstituted-N'-acylthioureas complexes with general formulae [Pt(PPh{sub 3}){sub 2}(L)]PF{sub 6}, PPh{sub 3} = triphenylphosphine; L = N,N-disubstituted-N'-acylthiourea, are here reported. The complexes were characterized by elemental analysis, molar conductivity, infrared (IR), nuclear magnetic resonance (NMR) ({sup 1} H, {sup 13}C{1 H} and {sup 31}P{"1 H}) spectroscopy. The {sup 31}P{"1 H} NMR data are consistent with the presence of two PPh{sup 3} ligands cis to each other position, and one N,N-disubstituted-N'-acylthiourea coordinated to the metal through O and S, in a chelate form. The structures of the complexes were determined by X-ray crystallography, forming distorted square-planar structures. The complexes were tested in human cell lines carcinomas and also screened with respect to their anti-Mycobacterium tuberculosis activity (H37RvATCC 27294). It was found that complexes with N,N-disubstituted-N'-acylthiourea containing open and small chains as R2 groups show higher cytotoxic and higher anti-Mycobacterium tuberculosis activity than those containing rings in this position. (author)

  12. Passive noise control by enhancing aeroacoustic interference due to structural discontinuities in close proximity

    Science.gov (United States)

    Leung, R. C. K.; So, R. M. C.; Tang, S. K.; Wang, X. Q.

    2011-07-01

    In-duct devices are commonly installed in flow ducts for various flow management purposes. The structural construction of these devices indispensably creates disruption to smooth flow through duct passages so they exist as structural discontinuities in duct flow. The presence of these discontinuities provides additional possibility of noise generation. In real practice, in-duct devices do not exist alone in any duct system. Even though each in-duct device would generate its own noise, it might be possible that these devices could be properly arranged so as to strengthen the interference between individual noise; thus giving rise to an overall reduction of noise radiation in the in-duct far field. This concept of passive noise control is investigated by considering different configurations of two structural discontinuities of simple form (i.e., a cavity) in tandem in an unconfined flow and in opposing setting within a flow duct. It is known that noise generated by a cavity in unconfined domain (unconfined cavity) is strongly dependent on flow-resonant behavior within the cavity so the interference it produces is merely aeroacoustic. The objective of the present study is to verify the concept of passive noise reduction through enhancement of aeroacoustic interference due to two cavities by considering laminar flow only. A two-dimensional approach is adopted for the direct aeroacoustic calculations using a direct numerical simulation (DNS) technique. The position and geometries of the cavities and the Mach number are varied; the resultant aeroacoustic behavior and acoustic power are calculated. The numerical results are compared with a single cavity case to highlight the effect of introducing additional cavities to the aeroacoustic problem. Resonant flow oscillations occur when two unconfined cavities are very close and the associated acoustic field is very intense with no noise reduction possible. However, for duct aeroacoustics, it is found that a 7.9 db reduction

  13. Determination of the electrostatic potential distribution in Pt/Fe:SrTiO₃/Nb:SrTiO₃ thin-film structures by electron holography.

    Science.gov (United States)

    Marchewka, Astrid; Cooper, David; Lenser, Christian; Menzel, Stephan; Du, Hongchu; Dittmann, Regina; Dunin-Borkowski, Rafal E; Waser, Rainer

    2014-11-10

    We determined the electrostatic potential distribution in pristine Pt/Fe:SrTiO3/Nb:SrTiO3 structures by electron holography experiments, revealing the existence of a depletion layer extending into the Nb-doped bottom electrode. Simulations of potential profiles in metal-insulator-metal structures were conducted assuming different types and distributions of dopants. It is found that the presence of acceptor-type dopant concentrations at the Fe:SrTiO3/Nb:SrTiO3 interface with a donor-doped insulating layer provides a good match to the measured profile. Such acceptor-type interface concentrations may be associated with Sr vacancies on the Nb:SrTiO3 side of the bottom interface.

  14. Determination of the electrostatic potential distribution in Pt/Fe:SrTiO3/Nb:SrTiO3 thin-film structures by electron holography

    Science.gov (United States)

    Marchewka, Astrid; Cooper, David; Lenser, Christian; Menzel, Stephan; Du, Hongchu; Dittmann, Regina; Dunin-Borkowski, Rafal E.; Waser, Rainer

    2014-11-01

    We determined the electrostatic potential distribution in pristine Pt/Fe:SrTiO3/Nb:SrTiO3 structures by electron holography experiments, revealing the existence of a depletion layer extending into the Nb-doped bottom electrode. Simulations of potential profiles in metal-insulator-metal structures were conducted assuming different types and distributions of dopants. It is found that the presence of acceptor-type dopant concentrations at the Fe:SrTiO3/Nb:SrTiO3 interface with a donor-doped insulating layer provides a good match to the measured profile. Such acceptor-type interface concentrations may be associated with Sr vacancies on the Nb:SrTiO3 side of the bottom interface.

  15. Learning Alone, Together: Closed-Cohort Structure in an Online Journalism and Mass Communication Graduate Program

    Science.gov (United States)

    Blankenship, Justin C.; Gibson, Rhonda

    2016-01-01

    In a closed-cohort educational program design, students enter a program together, take the same courses together, and, ideally, graduate together. In an effort to increase interaction and communication among students, it has been utilized more and more for online graduate programs. This article surveyed students in one of the few closed-cohort…

  16. Trapping dynamics of isobutane, n-butane, and neopentane on Pt(111): Effects of molecular weight and structure

    International Nuclear Information System (INIS)

    Weaver, J.F.; Madix, R.J.

    1999-01-01

    The molecular adsorption dynamics of isobutane, n-butane, and neopentane on Pt(111) was investigated using supersonic molecular beam techniques and stochastic trajectory calculations. Using the united atom approach, a single, pairwise-additive Morse Potential for methyl (methylene)- plantinum interactions quantitatively simulates the dependence of the initial trapping probability, α, on the initial translational energy, E T , and angle of incidence, θ i , for each alkane. For both isobutane and n-butane, the dependence of α on E T and θ i best scales with E T cos 0.8 θ i , which is similar to that found previously for ethane and propane trapping on Pt(111). The initial trapping probability of neopentane exhibits a more pronounced dependence on θ i , which scales according to E T cos 1.3 θ i . The simulations suggest that the enhanced angular dependence of α for neopentane is related to its molecular weight. As the mass of the incident species is increased, momentum transfer to the surface becomes more efficient than the interconversion of incident parallel and normal momentum due to corrugation of the surface potential. The net effect is an increase in the trapping probability at glancing incidence compared to lighter molecules, and a resulting shift in the angular dependence of α towards normal energy scaling. The calculations also predict that collisional energy transfer to rotation is important in promoting adsorption. For each molecule, rotational excitation is determined to be the most effective energy transfer process that discriminates trapping from scattering. In addition, translational energy transfer to torsional vibration about the central C - C bond is highly efficient for n-butane, and greatly facilitates adsorption. Less excitation is predicted for C - C - C bending modes for all of these molecules. copyright 1999 American Institute of Physics

  17. Effects of thermal annealing on the performance of Al/ZnO nanorods/Pt structure ultraviolet photodetector

    International Nuclear Information System (INIS)

    Zhou Hai; Fang Guojia; Liu Nishuang; Zhao Xingzhong

    2011-01-01

    Highlights: → Schottky barrier ultraviolet photodetectors were obtained by sputtering Pt electrode and evaporating Al electrode on the top of ZnO nanorod arrays with thermal treatment. When annealing temperature was up to 300 deg. C, the performance of the PDs was improved with the great decrease of response and recovery times. → For annealing temperature at 300 deg. C and above, the responsivity decreases with increasing annealing temperature. → The ratio of detectivity (D254* to D546*) was calculated as high as 103 for all PDs annealed at 300 deg. C and above. - Abstract: ZnO nanorod arrays were fabricated on ZnO coated glass substrate by hydrothermal method. Schottky barrier ultraviolet photodetectors (PDs) were obtained by sputtering Pt electrode and evaporating Al electrode on the top of ZnO nanorod arrays with thermal treatment. It is illustrated that Schottky contacts at the electrode/ZnO NRs interface were formed at the annealing temperature of 300 deg. C and above. When annealing temperature was up to 300 o C, the performance of the PDs was improved with the great decrease of response and recovery times. At the forward bias of 2 V, the Schottky contact PDs showed the biggest responsivity and the best detectivity at the annealing temperature of 300 deg. C. For annealing temperature at 300 deg. C and above, the responsivity decreases with increasing annealing temperature and the ratio of detectivity (D 254 * to D 546 *) was calculated as high as 10 3 for all PDs annealed at 300 deg. C and above.

  18. Structural and in vivo mechanical characterization of canine patellar cartilage: a closed chondromalacia patellae model.

    Science.gov (United States)

    LaBerge, M; Audet, J; Drouin, G; Rivard, C H

    1993-01-01

    The purpose of this project was to study the relationship between the structure of the patellar cartilage and its response to static compressive loading with a closed chondromalacia patellae model. An animal model was used to induce degeneration of the patella that was monitored quantitatively and qualitatively as a function of time. Ten adult mongrel dogs had their left patellofemoral groove replaced by a customized metallic implant covered with a thin film of polyethylene for periods of 3 months (five dogs) and 6 months (five dogs). An indenter was designed to perform mechanical indentation testing on the patellar cartilage in situ. The animals were anesthetized and the response of patellar cartilage to a static compressive load of 4.5 MPa was monitored for 20 min and its relaxation after load removal for 20 min. Indentation tests were performed every 3 months of the implantation period. At the end of the implantation period, the patellae were processed for histology, and sections were stained with Safranin-O indicative of the proteoglycans content. Macroscopically, no apparent degeneration or fibrillation of the patellar surfaces was observed after 3 or 6 months of implantation. However, the patellar surface showed a change in coloration after 6 months. A 17 +/- 3% and 37 +/- 8% deformation of the cartilage were calculated for the 3-month and 6-month specimens, respectively. Histologically, a progressive loss of proteoglycans was observed in the matrix as a function of implantation time. These results indicated that an increase in cartilage compliance is associated with an intrinsic remodeling of the cartilage matrix and that these changes might occur without external signs of degeneration and can be quantified.

  19. Structural and catalytic characterization of mechanical mixtures of Pt/WOx-ZrO{sub 2} and Al{sub 2}O{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Contreras, J.L., E-mail: jlcl@correo.azc.uam.m [Universidad Autonoma Metropolitana-Azcapotzalco, CBI, Dpto. Energia, Av. Sn. Pablo 180, Col. Reynosa, C.P. 02200, Mexico, DF (Mexico); Fuentes, G.A. [Universidad Autonoma Metropolitana-Iztapalapa, CBI, Depto. de IPH C.P. 09340, Mexico, DF (Mexico); Navarrete, J.; Vazquez, A. [Instituto Mexicano del Petroleo, IBP, Ger. de Catalizadores, Eje Central Lazaro Cardenas No. 152, C.P. 07300, Mexico, DF (Mexico); Zeifert, B.; Salmones, J. [Instituto Politecnico Nacional Mexico, ESIQIE, Laboratorio de Catalisis y Materiales, C.P. 07738, Mexico, DF (Mexico); Nuno, L. [Universidad Autonoma Metropolitana-Azcapotzalco, CBI, Dpto. Energia, Av. Sn. Pablo 180, Col. Reynosa, C.P. 02200, Mexico, DF (Mexico)

    2010-04-16

    The effect of the Bronsted/Lewis acid ratio on isomerization of n-heptane using Al{sub 2}O{sub 3} as a source of Lewis acidity and WOx/ZrO{sub 2} as a source of Bronsted and Lewis acidity was studied and controlled using mechanical mixtures of these solids. These mixtures were characterized by surface area, infrared spectroscopy of pyridine, X-ray diffraction and Raman spectroscopy. It was found that the presence of W=O stretching mode which was consistent with the presence of oxotungstate species which were the precursors of the acid sites. It was found out that as the oxotungstate structures increased, the selectivity to n-heptane isomers increased while the hydrocracking and dehydrocyclization selectivity decreased. The presence of Bronsted acidity of the WOx/ZrO{sub 2} domains, the increase of Knudsen diffusivity and the loss of Pt metallic area by strong interaction of the Pt with the WOx/ZrO{sub 2} explain this catalytic behavior.

  20. Characteristic length scale of the magnon accumulation in Fe{sub 3}O{sub 4}/Pt bilayer structures by incoherent thermal excitation

    Energy Technology Data Exchange (ETDEWEB)

    Anadón, A., E-mail: anadonb@unizar.es; Lucas, I.; Morellón, L. [Instituto de Nanociencia de Aragón, Universidad de Zaragoza, E-50018 Zaragoza (Spain); Departamento de Física de la Materia Condensada, Universidad de Zaragoza, E-50009 Zaragoza (Spain); Ramos, R. [WPI Advanced Institute for Materials Research, Tohoku University, Sendai 980-8577 (Japan); Spin Quantum Rectification Project, ERATO, Japan Science and Technology Agency, Sendai 980-8577 (Japan); Algarabel, P. A. [Departamento de Física de la Materia Condensada, Universidad de Zaragoza, E-50009 Zaragoza (Spain); Instituto de Ciencia de Materiales de Aragón, Universidad de Zaragoza and Consejo Superior de Investigaciones Científicas, 50009 Zaragoza (Spain); Ibarra, M. R.; Aguirre, M. H. [Instituto de Nanociencia de Aragón, Universidad de Zaragoza, E-50018 Zaragoza (Spain); Departamento de Física de la Materia Condensada, Universidad de Zaragoza, E-50009 Zaragoza (Spain); Laboratorio de Microscopías avanzadas, Universidad de Zaragoza, 50018 Zaragoza (Spain)

    2016-07-04

    The dependence of Spin Seebeck effect (SSE) with the thickness of the magnetic materials is studied by means of incoherent thermal excitation. The SSE voltage signal in Fe{sub 3}O{sub 4}/Pt bilayer structure increases with the magnetic material thickness up to 100 nm, approximately, showing signs of saturation for larger thickness. This dependence is well described in terms of a spin current pumped in the platinum film by the magnon accumulation in the magnetic material. The spin current is generated by a gradient of temperature in the system and detected by the Pt top contact by means of inverse spin Hall effect. Calculations in the frame of the linear response theory adjust with a high degree of accuracy the experimental data, giving a thermal length scale of the magnon accumulation (Λ) of 17 ± 3 nm at 300 K and Λ = 40 ± 10 nm at 70 K.

  1. Characterization and methanol electrooxidation studies of Pt(111)/Os surfaces prepared by spontaneous deposition.

    Science.gov (United States)

    Johnston, Christina M; Strbac, Svetlana; Lewera, Adam; Sibert, Eric; Wieckowski, Andrzej

    2006-09-12

    Catalytic activity of the Pt(111)/Os surface toward methanol electrooxidation was optimized by exploring a wide range of Os coverage. Various methods of surface analyses were used, including electroanalytical, STM, and XPS methods. The Pt(111) surface was decorated with nanosized Os islands by spontaneous deposition, and the Os coverage was controlled by changing the exposure time to the Os-containing electrolyte. The structure of Os deposits on Pt(111) was characterized and quantified by in situ STM and stripping voltammetry. We found that the optimal Os surface coverage of Pt(111) for methanol electrooxidation was 0.7 +/- 0.1 ML, close to 1.0 +/- 0.1 Os packing density. Apparently, the high osmium coverage Pt(111)/Os surface provides more of the necessary oxygen-containing species (e.g., Os-OH) for effective methanol electrooxidation than the Pt(111)/Os surfaces with lower Os coverage (vs e.g., Ru-OH). Supporting evidence for this conjecture comes from the CO electrooxidation data, which show that the onset potential for CO stripping is lowered from 0.53 to 0.45 V when the Os coverage is increased from 0.2 to 0.7 ML. However, the activity of Pt(111)/Os for methanol electrooxidation decreases when the Os coverage is higher than 0.7 +/- 0.1 ML, indicating that Pt sites uncovered by Os are necessary for sustaining significant methanol oxidation rates. Furthermore, osmium is inactive for methanol electrooxidation when the platinum substrate is absent: Os deposits on Au(111), a bulk Os ingot, and thick films of electrodeposited Os on Pt(111), all compare poorly to Pt(111)/Os. We conclude that a bifunctional mechanism applies to the methanol electrooxidation similarly to Pt(111)/Ru, although with fewer available Pt sites. Finally, the potential window for methanol electrooxidation on Pt(111)/Os was observed to shift positively versus Pt(111)/Ru. Because of the difference in the Os and Ru oxophilicity under electrochemical conditions, the Os deposit provides fewer

  2. THE EFFECT OF RECONNECTION ON THE STRUCTURE OF THE SUN’S OPEN–CLOSED FLUX BOUNDARY

    International Nuclear Information System (INIS)

    Pontin, D. I.; Wyper, P. F.

    2015-01-01

    Global magnetic field extrapolations are now revealing the huge complexity of the Sun's corona, and in particular the structure of the boundary between open and closed magnetic flux. Moreover, recent developments indicate that magnetic reconnection in the corona likely occurs in highly fragmented current layers, and that this typically leads to a dramatic increase in the topological complexity beyond that of the equilibrium field. In this paper we use static models to investigate the consequences of reconnection at the open–closed flux boundary (“interchange reconnection”) in a fragmented current layer. We demonstrate that it leads to efficient mixing of magnetic flux (and therefore plasma) from open and closed field regions. This corresponds to an increase in the length and complexity of the open–closed boundary. Thus, whenever reconnection occurs at a null point or separator of this open–closed boundary, the associated separatrix arc of the so-called S-web in the high corona becomes not a single line but a band of finite thickness within which the open–closed boundary is highly structured. This has significant implications for the acceleration of the slow solar wind, for which the interaction of open and closed field is thought to be important, and may also explain the coronal origins of certain solar energetic particles. The topological structures examined contain magnetic null points, separatrices and separators, and include a model for a pseudo-streamer. The potential for understanding both the large scale morphology and fine structure observed in flare ribbons associated with coronal nulls is also discussed

  3. Pt and PtRu catalyst bilayers increase efficiencies for ethanol oxidation in proton exchange membrane electrolysis and fuel cells

    Science.gov (United States)

    Altarawneh, Rakan M.; Pickup, Peter G.

    2017-10-01

    Polarization curves, product distributions, and reaction stoichiometries have been measured for the oxidation of ethanol at anodes consisting of Pt and PtRu bilayers and a homogeneous mixture of the two catalysts. These anode structures all show synergies between the two catalysts that can be attributed to the oxidation of acetaldehyde produced at the PtRu catalyst by the Pt catalyst. The use of a PtRu layer over a Pt layer produces the strongest effect, with higher currents than a Pt on PtRu bilayer, mixed layer, or either catalyst alone, except for Pt at high potentials. Reaction stoichiometries (average number of electrons transferred per ethanol molecule) were closer to the values for Pt alone for both of the bilayer configurations but much lower for PtRu and mixed anodes. Although Pt alone would provide the highest overall fuel cell efficiency at low power densities, the PtRu on Pt bilayer would provide higher power densities without a significant loss of efficiency. The origin of the synergy between the Pt and PtRu catalysts was elucidated by separation of the total current into the individual components for generation of carbon dioxide and the acetaldehyde and acetic acid byproducts.

  4. Highly Selective TiN-Supported Highly Dispersed Pt Catalyst: Ultra Active toward Hydrogen Oxidation and Inactive toward Oxygen Reduction.

    Science.gov (United States)

    Luo, Junming; Tang, Haibo; Tian, Xinlong; Hou, Sanying; Li, Xiuhua; Du, Li; Liao, Shijun

    2018-01-31

    The severe dissolution of the cathode catalyst, caused by an undesired oxygen reduction reaction at the anode during startup and shutdown, is a fatal challenge to practical applications of polymer electrolyte membrane fuel cells. To address this important issue, according to the distinct structure-sensitivity between the σ-type bond in H 2 and the π-type bond in O 2 , we design a HD-Pt/TiN material by highly dispersing Pt on the TiN surface to inhibit the unwanted oxygen reduction reaction. The highly dispersed Pt/TiN catalyst exhibits excellent selectivity toward hydrogen oxidation and oxygen reduction reactions. With a Pt loading of 0.88 wt %, our catalyst shows excellent hydrogen oxidation reaction activity, close to that of commercial 20 wt % Pt/C catalyst, and much lower oxygen reduction reaction activity than the commercial 20 wt % Pt/C catalyst. The lack of well-ordered Pt facets is responsible for the excellent selectivity of the HD-Pt/TiN materials toward hydrogen oxidation and oxygen reduction reactions. Our work provides a new and cost-effective solution to design selective catalysts toward hydrogen oxidation and oxygen reduction reactions, making the strategy of using oxygen-tolerant anode catalyst to improve the stability of polymer electrolyte membrane fuel cells during startup and shutdown more affordable and practical.

  5. Structural and microstructural comparative analysis on metallic alloys of composition Cu{sub y%}-Ni{sub x%}-Me (Me = Sn, Cr, Al, Pt)

    Energy Technology Data Exchange (ETDEWEB)

    Marques, I.M.; Okazaki, A.K.; Silveira, C.R. da; Carvalhal, M.A.; Monteiro, W.A.; Carrio, J.A.G. [Physics Department, CCH, Presbyterian Mackenzie University, Materials Science and Technology Centre, Sao Paulo, SP (Brazil); Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil)], e-mail: jgcarrio@mackenzie.br

    2010-07-01

    This work presents a comparative study of microstructural and electrical properties of polycrystalline material Cu-Ni alloys synthesized by conventional and powder metallurgy. A sample of Cu{sub 99,33%} Ni{sub 0,23%} Pt{sub 0,43%} was produced in electric furnace with voltaic arc and various samples containing Al, Sn and Cr as third element were produced by powder metallurgy. The microstructure of the samples was studied by optical microscopy, Vickers micro hardness and x rays powder diffraction. Their electrical conductivity was measured with a milliohmeter Agilent (HP) 4338B. Refinements of the crystalline structure of the samples were performed by the Rietveld method, using the refinement program GSAS. The refinement results and Fourier differences calculations indicate that the copper matrix structure presents not significant distortions by the used amounts of the other metal atoms. The refinement of non structural parameters allowed the micro-structural characterization. The dependence of the micro-structure with thermal and mechanical treatments is studied. (author)

  6. Excellent selector performance in engineered Ag/ZrO2:Ag/Pt structure for high-density bipolar RRAM applications

    Directory of Open Access Journals (Sweden)

    Chao Wang

    2017-12-01

    Full Text Available A high-performance selector with bidirectional threshold switching (TS characteristics of Ag/ZrO2/Pt structure was prepared by incorporating metallic Ag into the ZrO2 matrix. The bidirectional TS device exhibited excellent switching uniformity, forming-free behavior, ultra-low off current of <1 nA and adjustable selectivity (from 102 to 107. The experiment results confirmed that metallic Ag clusters were penetrated into the ZrO2 matrix during the annealing process, which would function as an effective active source responsible for the bidirectional TS. The volatile behavior could be explained by the self-dissolution of unstable filaments caused by minimization of the interfacial energy and thermal effect. Furthermore, a bipolar-type one selector-one resistor (1S-1R memory device was successfully fabricated and exhibited significant suppression of the undesired sneak current, indicating the great potential as selector in a cross-point array.

  7. Excellent selector performance in engineered Ag/ZrO2:Ag/Pt structure for high-density bipolar RRAM applications

    Science.gov (United States)

    Wang, Chao; Song, Bing; Zeng, Zhongming

    2017-12-01

    A high-performance selector with bidirectional threshold switching (TS) characteristics of Ag/ZrO2/Pt structure was prepared by incorporating metallic Ag into the ZrO2 matrix. The bidirectional TS device exhibited excellent switching uniformity, forming-free behavior, ultra-low off current of selectivity (from 102 to 107). The experiment results confirmed that metallic Ag clusters were penetrated into the ZrO2 matrix during the annealing process, which would function as an effective active source responsible for the bidirectional TS. The volatile behavior could be explained by the self-dissolution of unstable filaments caused by minimization of the interfacial energy and thermal effect. Furthermore, a bipolar-type one selector-one resistor (1S-1R) memory device was successfully fabricated and exhibited significant suppression of the undesired sneak current, indicating the great potential as selector in a cross-point array.

  8. Superconductivity in U-T alloys (T = Mo, Pt, Pd, Nb, Zr stabilized in the cubic γ-U structure by splat-cooling technique

    Directory of Open Access Journals (Sweden)

    N.-T.H. Kim-Ngan

    2016-06-01

    Full Text Available We succeed to retain the high-temperature (cubic γ-U phase down to low temperatures in U-T alloys with less required T alloying concentration (T = Mo, Pt, Pd, Nb, Zr by means of splat-cooling technique with a cooling rate better than 106 K/s. All splat-cooled U-T alloys become superconducting with the critical temperature Tc in the range of 0.61 K–2.11 K. U-15 at.% Mo splat consisting of the γ-U phase with an ideal bcc A2 structure is a BCS superconductor having the highest critical temperature (2.11 K.

  9. SFG study of methanol dissociative adsorption at Pt(1 0 0), Pt(1 1 0) and Pt(1 1 1) electrodes surfaces

    Science.gov (United States)

    Vidal, F.; Busson, B.; Six, C.; Pluchery, O.; Tadjeddine, A.

    2002-04-01

    The Pt( hkl)/methanol in acidic solution interface which constitutes a model of the anodic part of a fuel cell is studied by infrared-visible sum frequency generation vibrational spectroscopy. Methanol dissociative adsorption leads to CO poisoning of the Pt electrode surfaces. The structure of the CO/Pt( hkl) interface depends strongly on the orientation of the surface electrode.

  10. Structural and electrochemical characterization of carbon supported Pt-Pr catalysts for direct ethanol fuel cells prepared using a modified formic acid method in a CO atmosphere.

    Science.gov (United States)

    Corradini, Patricia Gon; Antolini, Ermete; Perez, Joelma

    2013-07-28

    Pt-Pr/C electrocatalysts were prepared using a modified formic acid method, and their activity for carbon monoxide and ethanol oxidation was compared to Pt/C. No appreciable alloy formation was detected by XRD analysis. By TEM measurements it was found that Pt particle size increases with an increasing Pr content in the catalysts and with decreasing metal precursor addition time. XPS measurements indicated Pt segregation on the catalyst surface and the presence of Pr2O3 and PrO2 oxides. The addition of Pr increased the electro-catalytic activity of Pt for both CO and CH3CH2OH oxidation. The enhanced activity of Pt-Pr/C catalysts was ascribed to both an electronic effect, caused by the presence of Pr2O3, and the bi-functional mechanism, caused by the presence of PrO2.

  11. Prothrombin time (PT)

    Science.gov (United States)

    PT; Pro-time; Anticoagulant-prothrombin time; Clotting time: protime; INR; International normalized ratio ... PT is measured in seconds. Most of the time, results are given as what is called INR ( ...

  12. Mild Synthesis of Pt/SnO2 /Graphene Nanocomposites with Remarkably Enhanced Ethanol Electro-oxidation Activity and Durability.

    Science.gov (United States)

    Qu, Yunteng; Gao, Yunzhi; Wang, Long; Rao, Jiancun; Yin, Geping

    2016-01-04

    We have designed a new Pt/SnO2 /graphene nanomaterial by using L-arginine as a linker; this material shows the unique Pt-around-SnO2 structure. The Sn(2+) cations reduce graphene oxide (GO), leading to the in situ formation of SnO2 /graphene hybrids. L-Arginine is used as a linker and protector to induce the in situ growth of Pt nanoparticles (NPs) connected with SnO2 NPs and impede the agglomeration of Pt NPs. The obtained Pt/SnO2 /graphene composites exhibit superior electrocatalytic activity and stability for the ethanol oxidation reaction as compared with the commercial Pt/C catalyst owing to the close-connected structure between the Pt NPs and SnO2 NPs. This work should have a great impact on the rational design of future metal-metal oxide nanostructures with high catalytic activity and stability for fuel cell systems. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. 'Vanishing' structural effects of temperature in polymer glasses close to the glass-transition temperature

    International Nuclear Information System (INIS)

    Shantarovich, V.P.; Suzuki, T.; Ito, Y.; Yu, R.S.; Kondo, K.; Yampolskii, Yu. P.; Alentiev, A.Yu.

    2007-01-01

    Positron annihilation lifetime (PAL) measurements were used for observation of structural effects of temperature in polystyrene (PS), super-cross-linked polystyrene networks (CPS), and in polyimides (PI) below and in the vicinity of glass-transition temperature T g . 'Vanishing' of these structural effects in the repeating cycles of the temperature controlled PAL experiments due to the slow relaxation processes in different conditions and details of chemical structure is demonstrated. Obtained results illustrate complex, dependent on thermal history, inhomogeneous character of the glass structure. In fact, structure of some polymer glasses is changing continuously. Calculations of the number density of free volume holes in these conditions are discussed

  14. Low-dimensional compounds containing cyano groups. XVII. Crystal structure, spectroscopic, thermal and magnetic properties of [Cu(bmen)2][Pt(CN)4] (bmen=N,N'-dimethylethylenediamine)

    International Nuclear Information System (INIS)

    Potocnak, Ivan; Vavra, Martin; Cizmar, Erik; Kajnakova, Marcela; Radvakova, Alena; Steinborn, Dirk; Zvyagin, Sergei A.; Wosnitza, Jochen; Feher, Alexander

    2009-01-01

    The synthesis, structural analysis, spectroscopic studies, susceptibility and specific-heat measurements of {[Cu(bmen) 2 ][Pt(CN) 4 ]} n (bmen=N,N'-dimethylethylenediamine) are presented. X-ray crystal-structure analysis revealed that the [Pt(CN) 4 ] 2- building blocks are combined with [Cu(bmen) 2 ] 2+ units to form a chain-like structure along the a axis. The Cu(II) atoms are hexacoordinated by four nitrogen atoms in the equatorial plane belonging to two molecules of bidentate bmen ligands with average Cu-N distance of 2.043(18) A. The axial positions are occupied by two nitrogen atoms from bridging [Pt(CN) 4 ] 2- anions at a longer axial Cu-N distance of 2.490(4) A. The compound is characterized by the presence of a weak antiferromagnetic exchange coupling J/k B =0.6 K. Despite the one-dimensional (1D) character of the structure, the analysis of the magnetic properties and specific heat at very low temperatures shows that [Cu(bmen) 2 ][Pt(CN) 4 ] behaves as a two-dimensional (2D) square-lattice Heisenberg magnet with weak interlayer coupling. - Graphical abstract: The synthesis, structural analysis, spectroscopic studies, susceptibility and specific-heat measurements of {[Cu(bmen) 2 ][Pt(CN) 4 ]} n (bmen=N,N'-dimethylethylenediamine) are presented. X-ray crystal-structure analysis revealed that the [Pt(CN) 4 ] 2- building blocks are combined with [Cu(bmen) 2 ] 2+ units to form a chain-like structure. The compound is characterized by the presence of a weak antiferromagnetic exchange coupling J/k B =-0.6 K. Despite the one-dimensional character of the structure, the analysis of the magnetic properties and specific heat at very low temperatures shows that [Cu(bmen) 2 ][Pt(CN) 4 ] behaves as a two-dimensional square-lattice Heisenberg magnet with weak interlayer coupling

  15. Closed-form critical earthquake response of elastic-plastic structures on compliant ground under near-fault ground motions

    Directory of Open Access Journals (Sweden)

    Kotaro eKojima

    2016-01-01

    Full Text Available The double impulse is introduced as a substitute of the fling-step near-fault ground motion. A closed-form solution of the elastic-plastic response of a structure on compliant (flexible ground by the ‘critical double impulse’ is derived for the first time based on the solution for the corresponding structure with fixed base. As in the case of fixed-base model, only the free-vibration appears under such double impulse and the energy approach plays an important role in the derivation of the closed-form solution of a complicated elastic-plastic response on compliant ground. It is remarkable that no iteration is needed in the derivation of the critical elastic-plastic response. It is shown via the closed-form expression that, in the case of a smaller input level of double impulse to the structural strength, as the ground stiffness becomes larger, the maximum plastic deformation becomes larger. On the other hand, in the case of a larger input level of double impulse to the structural strength, as the ground stiffness becomes smaller, the maximum plastic deformation becomes larger. The criticality and validity of the proposed theory are investigated through the comparison with the response analysis to the corresponding one-cycle sinusoidal input as a representative of the fling-step near-fault ground motion. The applicability of the proposed theory to actual recorded pulse-type ground motions is also discussed.

  16. Shape coexistence near the Z-82 closed shell: a study of the excited states of 187Au and 187Pt in the β+ decay of 187Hg and 187Au

    International Nuclear Information System (INIS)

    Grimm, M.A. Jr.

    1978-11-01

    The decays of mass-separated (2.4, 2.2 min)/sup 187m,g/Hg and (8.4 min) 187 Au were studied. Both high- and low-spin states in 187 Au are fed in the (β + , EC) decay of /sup 187m,g/Hg isomers. The h/sub 11/2/, h/sub 9/2/, s/sub 1/2/, d/sub 3/2/, and d/sub 5/2/ collective bands, which are systematically observed throughout the odd-mass gold isotopes, are now extended to 187 Au. In 187 Au, the h/sub 9/2/ bandhead is below the h/sub 11/2/ bandhead, and the transition between the two is found to proceed via a hindered M1 transition due to the change in nuclear shape involved in the transition. One of the most important results of the present study is the discovery of the coupling of the odd proton in an h/sub 9/2/ particle state to the excited O + state of the 186 Pt core. Only the low spin states in 187 Pt appear to be populated in the beta decay of 187 Au. The nature of these low-spin states is not understood at present. One aspect of the levels of 187 Pt not previously reported is a delayed transition of 251 keV energy observed in the present study. 111 references

  17. Density functional theory studies of the adsorption of ethylene and oxygen on Pt(111) and Pt3Sn(111)

    DEFF Research Database (Denmark)

    Watwe, R.M.; Cortright, R.D.; Mavrikakis, Manos

    2001-01-01

    Density functional theory, employing periodic slab calculations, was used to investigate the interactions of ethylene and oxygen with Pt(111) and Pt3Sn(111). The predicted energetics and structures of adsorbed species on Pt(111) are in good agreement with experimental data. The binding energies...... more than adsorption on two-fold and one-fold sites. Oxygen atoms bond as strongly on Pt3Sn(111) as on Pt(111), and these atoms prefer to adsorb near Sn atoms on the surface. The addition of Sn to Pt(111) leads to a surface heterogeneity, wherein ethylidyne species prefer to adsorb away from Sn atoms...

  18. Composition dependence of phase transformation behavior and shape memory effect of Ti(Pt, Ir)

    International Nuclear Information System (INIS)

    Yamabe-Mitarai, Y.; Hara, T.; Kitashima, T.; Miura, S.; Hosoda, H.

    2013-01-01

    Highlights: ► The partial isothemal section at 1523 K was determined in Ti–Pt–Ir. ► The high-temperature shape memory effect of Ti(Pt, Ir) was investigated. ► The shape recovery ratio was 72% in Ti–10Pt–32Ir after deformation at 1123 K. ► Ir addition to TiPt is effective to improve shape memory effect of TiPt. -- Abstract: The phase transformation and high-temperature shape memory effect of Ti(Pt, Ir) were investigated. First, the Ti-rich phase boundary of Ti(Pt, Ir) was investigated by phase composition analysis by secondary electron microscopy (SEM) using an electron probe X-ray micro analyzer (EPMA), X-ray diffraction analysis and transmission electron microscopy (TEM). Then, the three alloys Ti–35Pt–10Ir, Ti–22Pt–22Ir, and Ti–10Pt–32Ir (at%) close to the phase boundary but in the single phase of Ti(Pt, Ir) were prepared by the arc melting method. The shape memory effect and crystal structure were investigated by compression loading–unloading tests and high-temperature X-ray diffraction analysis, respectively

  19. Effects of turbidity on the neural structures of two closely related ...

    African Journals Online (AJOL)

    The neural structures of the sister species Pseudobarbus afer and P. asper were compared. P. afer, a redfin minnow which inhabits clear, perennial mountain streams, was found to have larger neural structures related to vision than P. asper, which inhabits turbid, intermittent streams of the Gamtoos River system, ...

  20. Pt/Cr and Pt/Ni catalysts for oxygen reduction reaction: to alloy or not to alloy?

    Science.gov (United States)

    Escaño, Mary Clare; Gyenge, Elod; Nakanishi, Hiroshi; Kasai, Hideaki

    2011-04-01

    Bimetallic systems such as Pt-based alloys or non-alloys have exhibited interesting catalytic properties but pose a major challenge of not knowing a priori how the electronic and chemical properties will be modified relative to the parent metals. In this work, we present the origin of the changes in the reactivity of Pt/Cr and Pt/Ni catalysts, which have been of wide interest in fuel cell research. Using spin-polarized density functional theory calculations, we have shown that the modification of Pt surface reactivity in Pt/Ni is purely of geometric origin (strain). We have also found that the Pt-Ni bonding is very weak, which explains the observed instability of Pt-Ni catalysts under electrochemical measurements. On the other hand, Pt/Cr systems are governed by strong ligand effect (metal-metal interaction), which explains the experimentally observed reactivity dependence on the relative composition of the alloying components. The general characteristics of the potential energy curves for O2 dissociative adsorption on the bimetallic systems and the pure Pt clarify why the d-band center still works for Pt/Cr despite the strong Pt-Cr bonding and high spin polarization of Pt d-states. On the basis of the above clarifications, viable Pt-Cr and Pt-Ni structures, which involve nano-sized alloys and non-alloy bulk catalyst, which may strike higher than the currently observed oxidation reduction reaction activity are proposed.

  1. Single-subject structural networks with closed-form rotation invariant matching mprove power in developmental studies of the cortex.

    Science.gov (United States)

    Kandel, Benjamin M; Wang, Danny J J; Gee, James C; Avants, Brian B

    2014-01-01

    Although much attention has recently been focused on single-subject functional networks, using methods such as resting-state functional MRI, methods for constructing single-subject structural networks are in their infancy. Single-subject cortical networks aim to describe the self-similarity across the cortical structure, possibly signifying convergent developmental pathways. Previous methods for constructing single-subject cortical networks have used patch-based correlations and distance metrics based on curvature and thickness. We present here a method for constructing similarity-based cortical structural networks that utilizes a rotation-invariant representation of structure. The resulting graph metrics are closely linked to age and indicate an increasing degree of closeness throughout development in nearly all brain regions, perhaps corresponding to a more regular structure as the brain matures. The derived graph metrics demonstrate a four-fold increase in power for detecting age as compared to cortical thickness. This proof of concept study indicates that the proposed metric may be useful in identifying biologically relevant cortical patterns.

  2. Assembly and structural analysis of a covalently closed nano-scale DNA cage

    DEFF Research Database (Denmark)

    Andersen, Félicie Faucon; Knudsen, Bjarne; Oliveira, Cristiano Luis Pinto De

    2008-01-01

    for investigations of DNA-interacting enzymes. More recently, strategies for synthesis of more complex two-dimensional (2D) and 3D DNA structures have emerged. However, the building of such structures is still in progress and more experiences from different research groups and different fields of expertise...... be described as a nano-scale DNA cage, Hence, in theory it could hold proteins or other bio-molecules to enable their investigation in certain harmful environments or even allow their organization into higher order structures...... The inherent properties of DNA as a stable polymer with unique affinity for partner molecules determined by the specific Watson-Crick base pairing makes it an ideal component in self-assembling structures. This has been exploited for decades in the design of a variety of artificial substrates...

  3. Knitted structures of endless fibers for gas cleaning. Pt. 1; Gestrickte Strukturen aus Endlosfasern fuer die Abgasreinigung. T. 1

    Energy Technology Data Exchange (ETDEWEB)

    Mayer, A.; Mayer, J.; Wintermantel, E.; Buck, A.; Schmidt, R.M.; Mattes, P.; Sudmanns, H.; Bressler, H.

    1995-02-01

    Filament yarns containing endless fibers of many different glass, ceramic or carbon materials are now available on the market in a great variety. Some of them provide high mechanical strength up to temperatures of 1000 C and many of them have properties which make them appropriate for submicron-filtration, heterogeneous catalysis or adsorption. A new knitting technology can handle those brittle fibers, producing elastic open pore textile structures. The overall surface of the fibers is thereby fully exposed to the medium, mass and heat exchange conditions are optimal and the capacity to store deposits is extremely high. These structures are volume-elastic, thermochoc-resistent and insensitive to vibrations and pulsations and can therefore risklessly be used even in preturbo engine-integrated designs. Experimental data confirm the deep bed behaviour of these fiber structures, good trapping efficiency even for very fine particles and degressive pressure build up. Due to their high specific surface catalytic coating without precoats has proved successful. Diesel particulate traps, catalysts and adsorption media are candidates to apply these fiber structures in the engine exhaust as well as for general air cleaning purposes. (orig.)

  4. Measurement of the small-scale structure of the intergalactic medium using close quasar pairs.

    Science.gov (United States)

    Rorai, Alberto; Hennawi, Joseph F; Oñorbe, Jose; White, Martin; Prochaska, J Xavier; Kulkarni, Girish; Walther, Michael; Lukić, Zarija; Lee, Khee-Gan

    2017-04-28

    The distribution of diffuse gas in the intergalactic medium (IGM) imprints a series of hydrogen absorption lines on the spectra of distant background quasars known as the Lyman-α forest. Cosmological hydrodynamical simulations predict that IGM density fluctuations are suppressed below a characteristic scale where thermal pressure balances gravity. We measured this pressure-smoothing scale by quantifying absorption correlations in a sample of close quasar pairs. We compared our measurements to hydrodynamical simulations, where pressure smoothing is determined by the integrated thermal history of the IGM. Our findings are consistent with standard models for photoionization heating by the ultraviolet radiation backgrounds that reionized the universe. Copyright © 2017, American Association for the Advancement of Science.

  5. Improvements of electrocatalytic activity of PtRu nanoparticles on multi-walled carbon nanotubes by a H2 plasma treatment in methanol and formic acid oxidation

    International Nuclear Information System (INIS)

    Jiang Zhongqing; Jiang Zhongjie

    2011-01-01

    Graphical abstract: A H 2 plasma, that aims at reducing the fraction of the oxidized species at the outermost perimeter of metal particles, has been used to treat the PtRu nanoparticles supported on the plasma functionalized multi-walled carbon nanotubes (PtRu/PS-MWCNTs). The plasma treated PtRu/PS-MWCNTs exhibit increased electrochemically active surface area, reduced charge transfer resistance, improved electrocatalytic activity and long term stability toward methanol and formic acid oxidation, and enhanced tolerance to carbonaceous species relative to the sample untreated with the H 2 plasma. Highlights: → A H 2 plasma technique is used to treat the PtRu nanoparticles. → The H 2 plasma treated PtRu/PS-MWCNTs exhibit improved electrocatalytic activity. → The H 2 plasma treated PtRu/PS-MWCNTs have significantly reduced charge transfer resistance. → The H 2 plasma treated PtRu/PS-MWCNTs show the increased stability. → The Pt:Ru atomic ratio of PtRu nanoparticles has a significant effect on the electrochemical activity. - Abstract: A H 2 plasma has been used to treat the PtRu nanoparticles supported on the plasma functionalized multi-walled carbon nanotubes (PtRu/PS-MWCNTs). The plasma treatment does not change the size and crystalline structure of PtRu nanoparticles, but reduces the fraction of the oxidized species at the outermost perimeter of particles. The electrochemical results show that these plasma treated PtRu/PS-MWCNTs exhibit increased electrochemically active surface area, improved electrocatalytic activity and long term stability toward methanol and formic acid oxidation, and enhanced tolerance to carbonaceous species relative to the sample untreated with the H 2 plasma. The electrocatalytic activities of the plasma treated PtRu/PS-MWCNTs are found to be dependent upon the Pt:Ru atomic ratios of PtRu nanoparticles. The catalysts with a Pt:Ru atomic ratio close to 1:1 show superior properties in the electrooxidation of methanol and formic acid

  6. Benchmarking Close-range Structure from Motion 3D Reconstruction Software under Varying Capturing Conditions

    DEFF Research Database (Denmark)

    Nikolov, Ivan Adriyanov; Madsen, Claus B.

    2016-01-01

    Structure from Motion 3D reconstruction has become widely used in recent years in a number of fields such as industrial surface in- inspection, archeology, cultural heritage preservation and geomapping. A number of software solutions have been released using variations of this technique. In this ......Structure from Motion 3D reconstruction has become widely used in recent years in a number of fields such as industrial surface in- inspection, archeology, cultural heritage preservation and geomapping. A number of software solutions have been released using variations of this technique...

  7. Thermomechanical interactions of particle bed-structural wall in a layered configuration. Pt. 1. Effect of particle bed thermal expansions

    International Nuclear Information System (INIS)

    Tehranian, F.

    1995-01-01

    Materials in the form of particle beds have been considered for shielding and tritium breeding as well as neutron multiplication in many of the conceptual reactor design studies. As the level of effort of the fusion blanket community in the area of out-of-pile and in-pile (ITER) testing of integrated test modules increases, so does the need for modelling capability for predicting the thermomechanical responses of the test modules under reactor environment.In this study, the thermomechanical responses of a particle bed-structural wall system in a layered configuration, subjected to bed temperature rise and/or external coolant pressure, were considered. Equations were derived which represent the dependence of the particle-to-particle and particle-to-wall contact forces and areas on the structural wall deformations and in turn on the thermomechanical loads. Using the derived equations, parametric analyses were performed to study the variations in the thermomechanical response quantities of a beryllium particle bed-stainless steel structural wall when subjected to thermomechanical loads. The results are presented in two parts. In Part I, presented in this paper, the derivation of the analytical equations and the effects of bed temperature rise are discussed. In Part II of this study, also presented in this symposium, the effects of external coolant pressure as well as the combined effects of bed temperature rise and coolant pressure on the thermomechanical responses are given.It is shown that, depending on the stiffness of the structural walls, uniform bed temperature rises in the range 100-400 C result in non-uniform effective thermal properties through the prticle bed and could increase the bed effective thermal conductivity by a factor of 2-5 and the bed-wall interface thermal conductance by even a larger factor. (orig.)

  8. Stress analysis for CANDU reactor structure assembly following a postulated p/t, c/t rupture after flow blockage

    Energy Technology Data Exchange (ETDEWEB)

    Soliman, S A; Lee, T; Ibrahim, A M; Hodgson, S [Atomic Energy of Canada Ltd., Saskatoon, SK (Canada)

    1996-12-31

    This paper describes the collapse load calculations for the reactor structure assembly under the postulated fuel channel flow blockage Level D (faulted) loading condition. Under the flow blockage condition, the primary coolant flow path is obstructed between the inlet and outlet feeder connections to the headers. This, in turn, is postulated to cause the pressure tube and calandria tube to rupture and release hot molten fuel into the moderator, producing a hydrodynamic transient within the calandria shell. The most severe hydrodynamic loads occur within a fraction of a second (0.14 second). The peak pressure for the limiting case scenario for Level D condition is 120 psig, due to a single channel failure event. Under this accident condition, it is shown that the reactor structure assembly can withstand the pressure transient and the structural integrity of the core is assured. A finite element model is generated and used to calculate the minimum collapse load. The ANSYS code is used with element type Stif-43 for elastic/plastic, large deformation and small strain analysis. (author). 1 ref., 3 tabs., 9 figs.

  9. Stress analysis for CANDU reactor structure assembly following a postulated p/t, c/t rupture after flow blockage

    International Nuclear Information System (INIS)

    Soliman, S.A.; Lee, T.; Ibrahim, A.M.; Hodgson, S.

    1995-01-01

    This paper describes the collapse load calculations for the reactor structure assembly under the postulated fuel channel flow blockage Level D (faulted) loading condition. Under the flow blockage condition, the primary coolant flow path is obstructed between the inlet and outlet feeder connections to the headers. This, in turn, is postulated to cause the pressure tube and calandria tube to rupture and release hot molten fuel into the moderator, producing a hydrodynamic transient within the calandria shell. The most severe hydrodynamic loads occur within a fraction of a second (0.14 second). The peak pressure for the limiting case scenario for Level D condition is 120 psig, due to a single channel failure event. Under this accident condition, it is shown that the reactor structure assembly can withstand the pressure transient and the structural integrity of the core is assured. A finite element model is generated and used to calculate the minimum collapse load. The ANSYS code is used with element type Stif-43 for elastic/plastic, large deformation and small strain analysis. (author). 1 ref., 3 tabs., 9 figs

  10. Vacancy formation energies in close-packed crystals correlated with melting temperature via thermodynamics and liquid structure

    International Nuclear Information System (INIS)

    Rashid, R.I.M.A.; March, N.H.

    1988-08-01

    In earlier work, the vacancy formation energy E v in close-packed crystals, in units of the thermal energy k B T m at the melting temperature T m , has been connected with compressibility and specific heats, plus terms dependent on the liquid structure at T m . Here, this connection has been examined quantitatively for (a) the insulating condensed rare gases Ne, Ar and Kr, and (b) a variety of close-packed metals. For case (a), E v /k B T m can be calculated directly from thermodynamic data to obtain agreement with experiment for Ar and Kr, though not for Ne. A 'residual' contribution is estimated for Ar and Kr from diffraction and computer experiments on the density dependence of the liquid pair correlation function and is shown to be very small. Agreement is less impressive for case (b) for the eight close-packed metals for which all data required is known, the thermodynamic formula giving an average value E v /k B T m =7.8+-1.1 whereas experiment yields 9.4+-1.8. However, for the body-centred cubic alkalis the thermodynamic average value of 4.5+-0.5 is much lower than the experimental value 11.5+-2.0 consistent with the known role of ionic relaxation round the vacancy in such open structures. (author). 16 refs, 2 tabs

  11. Crystal Structure, Spectroscopic Investigations, and Physical Properties of the Ternary Intermetallic REPt2Al3 (RE = Y, Dy–Tm and RE2Pt3Al4 Representatives (RE = Tm, Lu

    Directory of Open Access Journals (Sweden)

    Fabian Eustermann

    2018-04-01

    Full Text Available The REPt2Al3 compounds of the late rare-earth metals (RE = Y, Dy–Tm were found to crystallize isostructural. Single-crystal X-ray investigations of YPt2Al3 revealed an orthorhombic unit cell (a = 1080.73(6, b = 1871.96(9, c = 413.04(2 pm, wR2 = 0.0780, 942 F2 values, 46 variables with space group Cmmm (oC48; q2pji2hedb. A comparison with the Pearson database indicated that YPt2Al3 forms a new structure type, in which the Pt and Al atoms form a [Pt2Al3]δ− polyanion and the Y atoms reside in the cavities within the framework. Via a group-subgroup scheme, the relationship between the PrNi2Al3-type structure and the new YPt2Al3-type structure was illustrated. The compounds with RE = Dy–Tm were characterized by powder X-ray diffraction experiments. While YPt2Al3 is a Pauli-paramagnet, the other REPt2Al3 (RE = Dy–Tm compounds exhibit paramagnetic behavior, which is in line with the rare-earth atoms being in the trivalent oxidation state. DyPt2Al3 and TmPt2Al3 exhibit ferromagnetic ordering at TC = 10.8(1 and 4.7(1 K and HoPt2Al3 antiferromagnetic ordering at TN = 5.5(1 K, respectively. Attempts to synthesize the isostructural lutetium compound resulted in the formation of Lu2Pt3Al4 (Ce2Ir3Sb4-type, Pnma, a = 1343.4(2, b = 416.41(8, c = 1141.1(2 pm, which could also be realized with thulium. The structure was refined from single-crystal data (wR2 = 0.0940, 1605 F2 values, 56 variables. Again, a polyanion with bonding Pt–Al interactions was found, and the two distinct Lu atoms were residing in the cavities of the [Pt3Al4]δ– framework. X-ray photoelectron spectroscopy (XPS measurements were conducted to examine the electron transfer from the rare-earth atoms onto the polyanionic framework.

  12. Structural evaluation of a compact, semi-closed W-shaped divertor system for JT-60U

    Energy Technology Data Exchange (ETDEWEB)

    Onozuka, M.; Morimoto, M.; Inoue, M.; Umakoshi, T.; Shimizu, K. [Mitsubishi Heavy Ind., Ltd., Yokohama (Japan). Adv. Reactor and Nucl. Fuel Cycle Eng. Dept.; Sakurai, S.; Hosogane, N.; Masaki, K. [Japan Atomic Energy Research Institute, Naka-machi, Naka-gun, Ibaraki-pref. 311-0193 (Japan)

    1999-03-01

    A compact, semi-closed W-shaped divertor system has been designed, fabricated and installed in the JT-60U to replace the open divertor system. The new system consists of inclined divertors, a dome and baffles. To meet the structural requirements, a segmented structure with an electrically insulated flexible gas seal was applied. Using FEM codes, the system`s structural integrity was confirmed for the plasma disruptions by electromagnetic and structural analyses, which take into account the effect of halo currents. Substantial reduction of induced electromagnetic forces is attained in the divertor system due to the electrical insulation used for the gas seal structure. In addition, because of its segmented structure, the induced electromagnetic forces on each component unit are found to be limited. The maximum stress intensities and their ranges are obtained within allowable values. Thermal stress arising from the temperature difference between the divertor system and the vacuum vessel during the baking operation is also satisfactory. Furthermore, thermal and thermal stress analyses showed that the plasma facing components have sufficient structural integrity. (orig.) 18 refs.

  13. Structural evaluation of a compact, semi-closed W-shaped divertor system for JT-60U

    International Nuclear Information System (INIS)

    Onozuka, M.; Morimoto, M.; Inoue, M.; Umakoshi, T.; Shimizu, K.

    1999-01-01

    A compact, semi-closed W-shaped divertor system has been designed, fabricated and installed in the JT-60U to replace the open divertor system. The new system consists of inclined divertors, a dome and baffles. To meet the structural requirements, a segmented structure with an electrically insulated flexible gas seal was applied. Using FEM codes, the system's structural integrity was confirmed for the plasma disruptions by electromagnetic and structural analyses, which take into account the effect of halo currents. Substantial reduction of induced electromagnetic forces is attained in the divertor system due to the electrical insulation used for the gas seal structure. In addition, because of its segmented structure, the induced electromagnetic forces on each component unit are found to be limited. The maximum stress intensities and their ranges are obtained within allowable values. Thermal stress arising from the temperature difference between the divertor system and the vacuum vessel during the baking operation is also satisfactory. Furthermore, thermal and thermal stress analyses showed that the plasma facing components have sufficient structural integrity. (orig.)

  14. Structural integrity for DEMO: An opportunity to close the gap from materials science to engineering needs

    Energy Technology Data Exchange (ETDEWEB)

    Porton, M., E-mail: michael.porton@ccfe.ac.uk [CCFE, Culham Science Centre, Abingdon, Oxon OX14 3DB (United Kingdom); Wynne, B.P. [CCFE, Culham Science Centre, Abingdon, Oxon OX14 3DB (United Kingdom); University of Sheffield, Sheffield, South Yorkshire S10 2TN (United Kingdom); Bamber, R.; Hardie, C.D.; Kalsey, M. [CCFE, Culham Science Centre, Abingdon, Oxon OX14 3DB (United Kingdom)

    2016-11-01

    Highlights: • Key shortfalls in the current approaches to verification of structural integrity are outlined. • Case studies for high integrity applications in other demanding environments are examined. • Relevant lessons are drawn from fission and space for the design stage and through service life. • Future efforts are suggested to align materials and engineering for DEMO structural integrity. - Abstract: It is clear that fusion demonstration devices offer unique challenges due to the myriad, interacting material degradation effects and the numerous, conflicting requirements that must be addressed in order for in-vessel components to deliver satisfactory performance over the required lifetime. The link between mechanical engineering and materials science is pivotal to assure the timely realisation and exploitation of successful fusion power. A key aspect of this link is the verification of structural integrity, achieved at the design stage via structural design criteria against which designs are judged to be sufficiently resilient (or not) to failure, for a given set of loading conditions and desired lifetime. As various demonstration power plant designs progress through their current conceptual design phases, this paper seeks to highlight key shortfalls in this vital link between engineering needs and materials science, offering a perspective on where future attention can be prioritised to maximise impact. Firstly, issues in applying existing structural design criteria to demonstration power plant designs are identified. Whilst fusion offers particular challenges, there are significant insights to be gained from attempts to address such issues for high performance, high integrity applications in other demanding environments. Therefore case studies from beyond fusion are discussed. These offer examples where similar shortfalls have been successfully addressed, via approaches at the design stage and through service lifetime in order to deliver significant

  15. Green supply chain management strategy selection using analytic network process: case study at PT XYZ

    Science.gov (United States)

    Adelina, W.; Kusumastuti, R. D.

    2017-01-01

    This study is about business strategy selection for green supply chain management (GSCM) for PT XYZ by using Analytic Network Process (ANP). GSCM is initiated as a response to reduce environmental impacts from industrial activities. The purposes of this study are identifying criteria and sub criteria in selecting GSCM Strategy, and analysing a suitable GSCM strategy for PT XYZ. This study proposes ANP network with 6 criteria and 29 sub criteria, which are obtained from the literature and experts’ judgements. One of the six criteria contains GSCM strategy options, namely risk-based strategy, efficiency-based strategy, innovation-based strategy, and closed loop strategy. ANP solves complex GSCM strategy-selection by using a more structured process and considering green perspectives from experts. The result indicates that innovation-based strategy is the most suitable green supply chain management strategy for PT XYZ.

  16. Strongly bound excitons in monolayer PtS2 and PtSe2

    KAUST Repository

    Sajjad, M.; Singh, Nirpendra; Schwingenschlö gl, Udo

    2018-01-01

    Based on first-principles calculations, the structural, electronic, and optical properties of monolayers PtS2 and PtSe2 are investigated. The bond stiffnesses and elastic moduli are determined by means of the spring constants and strain

  17. Structure, stability and mobility of point defects in hexagonal close packed zirconium: an ab initio study

    International Nuclear Information System (INIS)

    Verite, G.

    2007-09-01

    This research aims at determining, by means of DFT (density functional theory) electronic structure computations, the structure, the stability, and the mobility of isolated point defects, lack defects, auto-interstitial defects, or small aggregate defects in the compact hexagonal zirconium (hc Zr). After a literature survey on the studied materials and a review of computer simulation methods in material science, the author presents and comments the available results from experiments or simulations on point defects in hc Zr. He presents the growth phenomenon under radiation. Then, he briefly described the computing techniques used in this study, reports the determination of the network parameters and elastic constants of each material. He reports and comments the results obtained with the SIESTA code and with a Monte Carlo kinetic simulation. The different types of defects are investigated

  18. Homologue Structure of the SLAC1 Anion Channel for Closing Stomata in Leaves

    Energy Technology Data Exchange (ETDEWEB)

    Y Chen; L Hu; M Punta; R Bruni; B Hillerich; B Kloss; B Rost; J Love; S Siegelbaum; W Hendrickson

    2011-12-31

    The plant SLAC1 anion channel controls turgor pressure in the aperture-defining guard cells of plant stomata, thereby regulating the exchange of water vapour and photosynthetic gases in response to environmental signals such as drought or high levels of carbon dioxide. Here we determine the crystal structure of a bacterial homologue (Haemophilus influenzae) of SLAC1 at 1.20 {angstrom} resolution, and use structure-inspired mutagenesis to analyse the conductance properties of SLAC1 channels. SLAC1 is a symmetrical trimer composed from quasi-symmetrical subunits, each having ten transmembrane helices arranged from helical hairpin pairs to form a central five-helix transmembrane pore that is gated by an extremely conserved phenylalanine residue. Conformational features indicate a mechanism for control of gating by kinase activation, and electrostatic features of the pore coupled with electrophysiological characteristics indicate that selectivity among different anions is largely a function of the energetic cost of ion dehydration.

  19. Portevin-Le Chatelier effect in a Ni–Cr–Mo alloy containing ordered phase with Pt{sub 2}Mo-type structure at room temperature

    Energy Technology Data Exchange (ETDEWEB)

    Yuan, Liang, E-mail: yuanliang031@163.com [State Key Laboratory of Solidification Processing, Northwestern Polytechnical University, Xi’an 710072 (China); Hu, Rui, E-mail: rhu@nwpu.edu.cn [State Key Laboratory of Solidification Processing, Northwestern Polytechnical University, Xi’an 710072 (China); Li, Jinshan [State Key Laboratory of Solidification Processing, Northwestern Polytechnical University, Xi’an 710072 (China); Zhang, Xiaoqing; Yang, Yan’an [Xi’an Filter Metal Materials Co., Ltd., Xi’an 710072 (China)

    2016-01-05

    Serrated flow behavior or the Portevin-Le Chatelier (PLC) effect in a Ni–Cr–Mo alloy containing ordered phase was investigated at uniaxial tensile and nanoindentation tests at room temperature. Results demonstrate that the periodic arrangement of atoms for nano-sized ordered phase with Pt{sub 2}Mo-type structure obtained by ageing treatment at 600 °C, induces the appearance of an embedded serration (a small serration is embedded in two adjacent large serrations) in the alloy during uniaxial tensile tests at room temperature with strain rates of 10{sup −3} and 10{sup −4} s{sup −1}. The behavior characteristic of small serration is almost independent on strain rate, but that of large serration is significantly dependent on strain rate. Both the stress drop (Δσ) of the large serration and the interval (t{sub w}) between adjacent large serrations increase with decreasing strain rate from 10{sup −3} to 10{sup −4} s{sup −1}. Moreover, a single serration also appears in load-displacement curve of aged sample at loading rate of 10{sup −3} s{sup −1}. Both formation of order-disorder transformation-induced twins and twinning of ordered phase itself are responsible for the occurrence of the embedded serrations.

  20. Groundwater suppression and surface water diversion structures applied to closed shallow land burial trenches

    International Nuclear Information System (INIS)

    Davis, E.C.; Stansfield, R.G.; Melroy, L.A.; Huff, D.D.

    1984-01-01

    Shallow depth to groundwater, surface drainage, and subsurface flow during storm events are major environmental concerns of low-level radioactive waste management operations in humid regions. At two waste disposal sites within the Oak Ridge National Laboratory (ORNL), groups of closed trenches have experienced these problems and have been shown to collect and hold water with seasonal fluctuations ranging from 1 to 2 m. In an attempt to correct these water-related problems, the older of the two sites [Solid Waste Storage Area Four (SWSA 4)] was equipped in September 1975 with asphalt lined drainage-ways designed to prevent infiltration of storm drainage from a 13.8-ha upslope catchment. At the second site (49-Trench area of SWSA 6), the entire 0.44-ha trench area was capped with a bentonite clay cover in 1976. These attempts have not corrected the water problems. In September 1983, engineered drainage projects were initiated at both the disposal sites. The SWSA 4 project was designed to divert surface runoff and shallow subsurface flow which originates upslope of the site away from the disposal area. The second project, a passive French drain constructed in SWSA 6, was aimed strictly at suppressing the site water table, thus preventing its intersection with the bottoms of disposal trenches. Postconstruction monitoring for performance evaluation has shown that the water table in the 49-Trench area has been suppressed to a depth > 4.9 m below the ground surface over 50% of the site as compared to a depth of only 2.1 m for certain parts of the same area observed during seasonally wet months prior to drain construction. The SWSA 4 project evaluation indicates that 56% of the Winter-Spring 1984 runoff was diverted around SWSA 4 via the drainage system

  1. Groundwater suppression and diversion structures applied to closed shallow land burial trenches

    International Nuclear Information System (INIS)

    Davis, E.C.; Melroy, L.A.; Huff, D.D.

    1984-01-01

    Shallow depth to groundwater, surface drainage, and subsurface flow during storm events are major environmental concerns of low-level radioactive waste management operations in humid regions. At two waste disposal sites within the Oak Ridge National Laboratory (ORNL), groups of closed trenches have experienced these problems and have been shown to collect and hold intratrench water with seasonal fluctuations ranging from 1 to 2 m. In an attempt to correct these water-related problems, Solid Waste Storage Area Four (SWSA-4) was equipped in September 1975 with asphalt-lined drainage ways designed to prevent reinfiltration of storm drainage from the 13.8 ha upslope catchment. At 49-Trench Area of SWSA-6 the entire 0.44 ha trench area was capped with a bentonite clay cover in 1976. These early attempts at hydrologic isolation have not corrected the water problems. In September 1983, two similarly designed engineered drainage projects were initiated at the disposal sites. The SWSA-4 project was designed to divert surface runoff around the trench area and drain a portion of the shallow subsurface flow which originates upslope of the site. The second project, a passive French drain constructed in SWSA-6, was aimed strictly at suppressing the site water table thus preventing its intersection with the bottoms of disposal trenches. Post-construction monitoring for performance evaluation has shown that the water table in the 49-trench area has been suppressed to a depth >4.9 m below the ground surface over 50% of the site with a maximum drawdown of 4 m at the drains deepest point. The SWSA-4 project evaluation is just being completed and data show that 56 +/- 15% of the Winter-Spring 1984 runoff was diverted around SWSA 4. As a result, a 44% reduction in 90 Sr flux was calculated from observed discharges and a previously established relation between flow rate and 90 Sr concentration

  2. Synthesis and characterization of highly efficient and stable Pr{sub 6}O{sub 11}/Ag{sub 3}PO{sub 4}/Pt ternary hybrid structure

    Energy Technology Data Exchange (ETDEWEB)

    Deng, Jiatao; Liu, Lin; Niu, Tongjun; Sun, Xiaosong, E-mail: sunxs@scu.edu.cn

    2017-05-01

    Highlights: • Visible-light-driven Pr{sub 6}O{sub 11}/Ag{sub 3}PO{sub 4}/Pt photocatalysts were prepared. • Pr{sub 6}O{sub 11}/Ag{sub 3}PO{sub 4}/Pt showed highly efficient and stable photocatalystic activity. • The photocatalytic mechanism of Pr{sub 6}O{sub 11}/Ag{sub 3}PO{sub 4}/Pt composite was given. - Abstract: Ag{sub 3}PO{sub 4} is an excellent photocatalyst with high efficiency and quantum yield, but suffers from the fast recombination of photogenerated electron-hole pairs and photo-corrosion. Hereby, the highly efficient and stable visible-light-driven Pr{sub 6}O{sub 11}/Ag{sub 3}PO{sub 4}/Pt photocatalyst were prepared via a three-step wet chemical approach. The as-prepared Pr{sub 6}O{sub 11}/Ag{sub 3}PO{sub 4}/Pt composite was characterized by X-ray diffraction, US-vis diffuse reflectance spectroscopy, scanning electron microscopy, transmission electron microscopy, X-ray photoelectron spectroscopy, photoluminescence spectra and transient photocurrent as well. Comparing with single Pr{sub 6}O{sub 11} or Ag{sub 3}PO{sub 4}, the prepared Pr{sub 6}O{sub 11}/Ag{sub 3}PO{sub 4}/Pt composite exhibited much higher photocatalytic activity and stability for the degradation of Rhodamine B under visible light irradiation (>420 nm). The enhanced photocatalytic performance of Pr{sub 6}O{sub 11}/Ag{sub 3}PO{sub 4}/Pt composite has been attributed to the efficient separation of photo-generated electron-hole pairs through a scheme system composed of Pr{sub 6}O{sub 11,} Ag{sub 3}PO{sub 4} and Pt.

  3. Microwave sinthesys and characterization of Pt and Pt-Rh-Sn electrocatalysts for ethanol oxidation

    Directory of Open Access Journals (Sweden)

    Jovanović Vladislava M.

    2011-01-01

    Full Text Available Carbon supported Pt and Pt-Rh-Sn catalysts were synthesized by microwave-polyol method in ethylene glycol solution and investigated for the ethanol electro-oxidation reaction. The catalysts were characterized in terms of structure, morphology and composition by employing XRD, STM and EDX techniques. STM analysis indicated rather uniform particles and particle size of below 2 nm for both catalysts. XRD analysis of the Pt/C catalyst revealed two phases, one with the main characteristic peaks of face centered cubic crystal structure (fcc of platinum and another related to graphite like structure of carbon support Vulcan XC-72R. However, in XRD pattern of the Pt-Rh-Sn/C catalyst diffraction peaks for Pt, Rh or Sn cannot be resolved, indicating an extremely low crystallinity. The small particle sizes and homogeneous size distributions of both catalysts should be attributed to the advantages of microwave assisted modified polyol process in ethylene glycol solution. Pt-Rh- Sn/C catalyst is highly active for the ethanol oxidation with the onset potential shifted for more than 150 mV to negative values and with currents nearly 5 times higher in comparison to Pt/C catalyst. The stability tests of the catalysts, as studied by the chronoamperometric experiments, reveal that the Pt-Rh-Sn/C catalyst is evidently less poisoned then Pt/C catalyst. The increased activity of Pt-Rh-Sn/C in comparison to Pt/C catalyst is most probably promoted by bifunctional mechanism and the electronic effect of alloyed metals.

  4. Study of the origin of magnetic couples induced by spin-orbit coupling in Co/Pt-based asymmetrical structures

    International Nuclear Information System (INIS)

    Drouard, Marc

    2014-01-01

    In order to reduce power consumption in next generations' electronic devices, one potential solution is to implement non-volatility in memory cells. In this goal, the magnetization switching of a ferromagnetic material has been used in a memory concept: the MRAM. The latest development of this technology, called SOT-RAM, is based on new phenomena called SOTs (Spin-Orbit Torques) in order to control magnetization direction. Contrary to precedent generations (STT-MRAM), it should achieve a higher operating speed and an endurance adapted for cache and main memories applications. SOTs is a generic term referring to all the effects, linked to the spin-orbit interaction, and that enable magnetization reversal. They are yet not perfectly understood. The main objective of this Ph.D. was then to study these SOTs through a quasi-static experimental measurement setup based on anomalous and planar Hall effects. Its implementation and the associated analysis method, as well as the required theoretical considerations for data interpretation are detailed in this manuscript. It has been highlighted that magnetization switching in perpendicularly magnetization cobalt-platinum Systems cannot be explained by the simple models considered thus far in the literature. As a matter of fact it has been evidenced that at least two effects have to be considered in order to explain observed phenomena. In addition, they present different susceptibility both to a modification of the crystal structure and to a temperature change. (author) [fr

  5. Role of closely spaced modes in the seismic response of equipment and structures

    International Nuclear Information System (INIS)

    Nelson, F.C.

    1975-01-01

    The genesis for this study was a need for an explanation of how to combine the peak accelerations, displacements, stresses, etc., which result from a response spectrum analysis of nuclear power plant structures and equipment. The explanation was intended to be comprehensive in the sense that it would be based on a general principle from which the absolute sum, square root of the sum of the squares (SRSS), and double-sum modal recombination rules could be extracted as special cases. The purpose of such a comprehensive explanation was to convince design engineers that these rules, in particular the recently proposed double-sum rule, were logical in their formulation and therefore sensible in their application

  6. TESTING BAYESIAN ALGORITHMS TO DETECT GENETIC STRUCTURE IN TWO CLOSELY RELATED OAK TAXA

    Directory of Open Access Journals (Sweden)

    Cristian Mihai Enescu

    2013-12-01

    Full Text Available The aim of this study was to test the Bayesian algorithm implemented in the software STRUCTURE in order to detect the number of clusters, by using microsatellite data from four oak species. Several assignment models, with or without a priori grouping of individuals to species, were proposed. Better results were obtained by using the sampling location information and when only two taxa were analyzed. Particularly, pedunculate oak and sessile oak formed distinct clusters whatever the assignment model we use. By contrast, no separation between the two oaks from series Lanuginosae was observed. This can be explained, on one hand, by the small sampling size for Italian oak, or by the genetic similarities of the two pubescent oaks, namely Quercus pubescens and Q. virgiliana, on the other hand. Our findings support the hypothesis according which Italian oak is an intraspecific taxonomic unit of pubescent oak.

  7. Low energy structure of even-even Ni isotopes close to 78Ni

    International Nuclear Information System (INIS)

    Rykaczewski, Krzysztof Piotr; Mazzocchi, C.; Grzywacz, Robert Kazimierz; Batchelder, J.C.; Bingham, Carrol R.; Fong, D.; Hamilton, J.H.; Hwang, J.K.; Karny, M.; Krolas, W.; Liddick, S.N.; Lisetskiy, A. F.; Morton, N.H.; Mantica, P.F.; Mueller, W.F.; Steiner, M.; Stolz, A.; Winger, J.A.

    2005-01-01

    The structure of magic neutron-rich nickel isotopes produced in the fragmentation of a 140 A MeV 86 Kr beam was investigated. For the first time four gamma transitions were assigned to the decay of the I π =8 + , T 1/2 = 590 +180 -110 isomer, thus establishing the 0 + -2 + -4 + -6 + -8 + ground-state band in 76 Ni. The previously unknown 2 + and 4 + levels belonging to the ground-state band in 74 Ni were identified in the β decay of 74 Co (T 1/2 =30(3) ms). The decay properties of 72 Co → 72 Ni were verified and confirmed on the basis of γ-γ coincidence data. The relevance of the measured level properties for the magicity of 78 Ni is analyzed with the help of advanced shell-model predictions

  8. Identifying the Best-Fitting Factor Structure of the Experience of Close Relations

    DEFF Research Database (Denmark)

    Esbjørn, Barbara Hoff; Breinholst, Sonja; Niclasen, Janni

    2015-01-01

    . The present study used a Danish sample with the purpose of addressing limitations in previous studies, such as the lack of diversity in cultural back- ground, restricted sample characteristics, and poorly fitting structure models. Participants consisted of 253 parents of children between the ages of 7 and 12...... years, 53% being moth- ers. The parents completed the paper version of the questionnaire. Confirmatory Factor Analyses were carried out to determine whether theoretically and empirically established models including one and two factors would also provide adequate fits in a Danish sample. A previous...... study using the original ECR suggested that Scandinavian samples may best be described using a five-factor solution. Our results indicated that the one- and two-factor models of the ECR-R did not fit the data well. Exploratory Factor Analysis revealed a five- factor model. Our study provides evidence...

  9. Close encounters of the conceptual kind: Disambiguating social structure from text

    Directory of Open Access Journals (Sweden)

    Timothy Hannigan

    2015-11-01

    Full Text Available Despite its empirical prominence, there is very little extant organizational research on Big Data. However, there is reason to believe this is changing as organizational theory scholars are beginning to embrace new methods and data sources. In this essay, I present a view that suggests there are several latent opportunities, many of which have been simmering unattended for some time. This research approach is not without its challenges, as the ontological terrain of Big Data is untested and potentially disruptive. However, we are observing a renewal of approaches to text and content analysis. By opening up the toolkit of computational linguistics methods for text analysis, Big Data may bring about fresh synthesis and reshape classic debates around social structure.

  10. Hierarchical paramecium-like hollow and solid Au/Pt bimetallic nanostructures constructed using goethite as template

    Science.gov (United States)

    Liu, Wei; Repo, Eveliina; Heikkilä, Mikko; Leskelä, Markku; Sillanpää, Mika

    2010-10-01

    Novel hollow and solid paramecium-like hierarchical Au/Pt bimetallic nanostructures were constructed using goethite as template via a seed-mediated growth method. Transmission electron microscopy (TEM), ξ-potential measurement, UV-vis spectroscopy, energy dispersive x-ray spectroscopy (EDS), ICP-AES measurement, x-ray powder diffraction (XRD) and x-ray photoelectron spectroscopy (XPS) were utilized to systematically characterize the bimetallic nanostructures. It is found that the core structure of the paramecium-like bimetallic nanomaterial is closely related to reducing agent. When ascorbic acid is used as reducing agent, goethite serves as in situ sacrificed template and hollow paramecium-like bimetallic structure is obtained. When NH2OH·HCl is used, solid nanostructure with preserved goethite core is produced. Heating the reaction solution is necessary to obtain the paramecium-like morphology with rough interconnected Pt cilia shell. The thickness of Pt cilia layer can be controlled by adjusting the molar ratio of H2PtCl6 to Au nanoseeds. The overgrowth of the rough Pt cilia is proposed to be via an autocatalytic and three-dimensional heterogeneous nucleation process first through flower-like morphology. Both the hollow and solid hierarchical paramecium-like Au/Pt bimetallic nanostructures show good catalytic activities.

  11. Hierarchical paramecium-like hollow and solid Au/Pt bimetallic nanostructures constructed using goethite as template

    International Nuclear Information System (INIS)

    Liu Wei; Repo, Eveliina; Sillanpaeae, Mika; Heikkilae, Mikko; Leskelae, Markku

    2010-01-01

    Novel hollow and solid paramecium-like hierarchical Au/Pt bimetallic nanostructures were constructed using goethite as template via a seed-mediated growth method. Transmission electron microscopy (TEM), ξ-potential measurement, UV-vis spectroscopy, energy dispersive x-ray spectroscopy (EDS), ICP-AES measurement, x-ray powder diffraction (XRD) and x-ray photoelectron spectroscopy (XPS) were utilized to systematically characterize the bimetallic nanostructures. It is found that the core structure of the paramecium-like bimetallic nanomaterial is closely related to reducing agent. When ascorbic acid is used as reducing agent, goethite serves as in situ sacrificed template and hollow paramecium-like bimetallic structure is obtained. When NH 2 OH·HCl is used, solid nanostructure with preserved goethite core is produced. Heating the reaction solution is necessary to obtain the paramecium-like morphology with rough interconnected Pt cilia shell. The thickness of Pt cilia layer can be controlled by adjusting the molar ratio of H 2 PtCl 6 to Au nanoseeds. The overgrowth of the rough Pt cilia is proposed to be via an autocatalytic and three-dimensional heterogeneous nucleation process first through flower-like morphology. Both the hollow and solid hierarchical paramecium-like Au/Pt bimetallic nanostructures show good catalytic activities.

  12. Hierarchical paramecium-like hollow and solid Au/Pt bimetallic nanostructures constructed using goethite as template

    Energy Technology Data Exchange (ETDEWEB)

    Liu Wei; Repo, Eveliina; Sillanpaeae, Mika [Laboratory of Applied Environmental Chemistry, University of Eastern Finland, Patteristonkatu 1, FI-50100 Mikkeli (Finland); Heikkilae, Mikko; Leskelae, Markku, E-mail: weiliuzk@yahoo.cn, E-mail: mika.sillanpaa@uef.fi [Laboratory of Inorganic Chemistry, Department of Chemistry, University of Helsinki, PO Box 55 (A.I. Virtasen aukio 1), FI-00014, Helsinki (Finland)

    2010-10-01

    Novel hollow and solid paramecium-like hierarchical Au/Pt bimetallic nanostructures were constructed using goethite as template via a seed-mediated growth method. Transmission electron microscopy (TEM), {xi}-potential measurement, UV-vis spectroscopy, energy dispersive x-ray spectroscopy (EDS), ICP-AES measurement, x-ray powder diffraction (XRD) and x-ray photoelectron spectroscopy (XPS) were utilized to systematically characterize the bimetallic nanostructures. It is found that the core structure of the paramecium-like bimetallic nanomaterial is closely related to reducing agent. When ascorbic acid is used as reducing agent, goethite serves as in situ sacrificed template and hollow paramecium-like bimetallic structure is obtained. When NH{sub 2}OH{center_dot}HCl is used, solid nanostructure with preserved goethite core is produced. Heating the reaction solution is necessary to obtain the paramecium-like morphology with rough interconnected Pt cilia shell. The thickness of Pt cilia layer can be controlled by adjusting the molar ratio of H{sub 2}PtCl{sub 6} to Au nanoseeds. The overgrowth of the rough Pt cilia is proposed to be via an autocatalytic and three-dimensional heterogeneous nucleation process first through flower-like morphology. Both the hollow and solid hierarchical paramecium-like Au/Pt bimetallic nanostructures show good catalytic activities.

  13. Detailed study of the cluster structure of light nuclei in a three-body model. Pt. 3

    International Nuclear Information System (INIS)

    Kukulin, V.I.; Eramzhyan, R.A.

    1990-01-01

    The multicluster dynamic model with the Pauli projection (MDMP) for treating light nuclei, developed earlier, is used to study in detail the 6 Li electromagnetic structure including all the measured elastic and inelastic, transverse and longitudinal, isoscalar and isovector electromagnetic form factors of the nucleus and to make some predictions concerning other, not yet measured, form factors. The model is also used to calculate all the measured radiation widths Γ γ0 of the excited 6 Li * states. A proper description has been obtained for most of the known electromagnetic form factors of the nucleus. The reasons for disagreement with experimental data in the case of large momentum transfers in the M1 form factors, both elastic and inelastic, are discussed. The elastic C0 form factor of 6 Li and, probably, of other light nuclei in the region of the secondary maximum is shown to be defined, to a very great extent, by the behaviour of the α-particle charge form factor in the region of its secondary maximum. The radiation widths of the 3 + 0, 2 + 0, and 1 + 0 levels have been found to be highly sensitive to minor impurities of the wavefunction components with higher orbital moments for the excited states, as well as the ground state, of 6 Li. The Siegert theorem is shown to be of great importance when studying the probabilities of transverse electromagnetic transitions. The copious results obtained by the present authors, as well as elsewhere, concerning the diverse aspects of the behaviour of six-nucleon system in the strong, weak, and electromagnetic processes are used to formulate the concept of using the given system as an extremely convenient theoretical laboratory in nuclear physics. The relevant proposals concerning future experiments are formulated. (orig.)

  14. Knitted structures of endless fibers for gas cleaning. Pt. 2; Gestrickte Strukturen aus Endlosfasern fuer die Abgasreinigung. T. 2

    Energy Technology Data Exchange (ETDEWEB)

    Mayer, A.; Mayer, J.; Wintermantel, E.; Buck, A.; Schmidt, R.M.; Mattes, P.; Sudmanns, H.; Bressler, H.

    1995-07-01

    Knittings based on ceramic filament yarns can be used to clean polluted air and exhaust gas efficiently up to temperatures of 1000 C. They provide interesting properties for the filtration of Diesel particles as well as for catalysis and adsorption of toxic gas components. The special knitting technology can handle any brittle fibers, producing elastic structures, which are thermochoc-resistent and can therefore even be used for preturbo applications. The first part of this paper, published in MTZ 56 (1995) 2 deals with the basic properties of this cleaning medium. This second part concentrates on Diesel particulate trop applications. These new trap and catalyst concepts are under development by Buck/Bondorf with TTM/Niederrohrdorf. Basic research is delegated to ETH Zuerich and Universitaet by Gillet/Edenkoben and, with focus on preturbo-applications by MTU/Friedrichshafen. (orig.) [Deutsch] Gestricke aus keramischen Endlosfasern sind bis zu Temperaturen um 1000 C fuer die Abluft- und Abgasreinigung einsetzbar. Sie eignen sich fuer die Filtration von Dieselpartikeln, insbesondere deren Feinstfraktionen ebenso wie fuer die Katalyse und fuer die Adsorption gasfoermiger Schadstoffkomponenten. Die Strukturen sind volumenelastisch, unempfindlich gegen Thermoschock und daher auch im motornahen Bereich risikoarm einsetzbar. In einem ersten Teilbeitrag in der Februarausgabe der MTZ wurden grundlegende Erkenntnisse dieses Abgasreinigungsmediums beschrieben. Der vorliegende zweite Teil beschreibt Anwendungen mit Schwerpunkt Dieselpartikelfilter. Diese neue Fasertechnik wird bei Buck, Bondorf, zusammen mit TTM, Niderrohrdorf, entwickelt. Forschungsarbeiten werden an der ETH Zuerich und der Universitaet Erlangen im Rahmen des BMFT-Projektes 01 VQ 9305/9 durchgefuehrt. Fragen zu motornachgeschalteten Anwendungen untersucht Gillett, Edenkoben, Moeglichkeiten der Motorintegration solcher Filter die MTU Friedrichshafen. (orig.)

  15. Shape transition in Os and Pt isotopes

    International Nuclear Information System (INIS)

    Ansari, A.

    1985-07-01

    Ground state structure of A=186 to 196 Os-Pt transitional region is investigated through a self-consistent Hartree-Fock-Bogolyubov calculation employing a pairing-plus-quadrupole-plus-hexadecapole model interaction Hamiltonian. Influence of the hexadecapole degrees of freedom on the triaxiality is especially examined. A gradual prolate to oblate shape transition is found in Pt isotopes but such a change is almost abrupt in Os at A approx. = 194. This difference in behaviour of the Os and Pt isotopes is obtained only if all the hexadecapole degrees of freedom, instead of merely an axial Y 40 component, are treated fully self-consistently. (author)

  16. Effects of pH value on composition structure and catalytic activity of Pt-SnO{sub x}/C prepared by ethylene glycol method

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Y.H. [School of Chemical Engineering and Environment, Beijing Institute of Technology, 100081 Beijing (China); Wu, F.; Wu, C. [School of Chemical Engineering and Environment, Beijing Institute of Technology, 100081 Beijing (China); National Development Center for High Technology Green Materials, 100081 Beijing (China)

    2012-06-15

    Pt-SnO{sub x} nanoparticles were synthesized by the ethylene glycol (EG) method in solution of H{sub 2}PtCl{sub 6} and SnCl{sub 2}, with the same concentrations of Pt and Sn, but different pH values. The pH value after the end of platinum reduction reaction was not changed any more, except that a certain amount of water was added to deposit the Pt-SnO{sub x} nanoparticles on the carbon support. The pre-nanocatalysts were characterized by X-ray photoelectron spectroscopy (XPS) to investigate the contents of Pt and Sn, and their catalytic activities for ethanol electrooxidation were tested by cyclic voltammetry (CV). The result was that the Sn contents were increasing as the Pt/Sn atomic ratios of 2.2, 2.6, 5.1, 7.4, 8.7, with the decreasing end pH values of 4.5, 5.0, 5.5, 6.5, 7.5, and the Pt contents became less than the addition in the preparation solution while the end pH values were <5.5, but the catalytic activities for ethanol electrooxidation were not so much regularly changed. Besides, from the end pH value of 5.5 to the increasing 9.0, all the platinum nanoparticles could be completely deposited on the carbon support, under the condition that only a certain amount of water was added. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  17. Preparation of PtSn/C, PtRu/C, PtRh/C, PtRuRh/C and PtSnRh/C electrocatalysts using an alcohol-reduction process for methanol and ethanol oxidation

    International Nuclear Information System (INIS)

    Dias, Ricardo Rodrigues

    2009-01-01

    In this work, Pt/C, PtRh (90:10), PtRh/C (50:50), PtSn/C (50:50), PtRu (50:50)/C, PtRuRh/C (50:40:10) and PtSnRh/C (50:40:10) were prepared by an alcohol-reduction process with metal loading of 20 wt.% using H 2 PtCl 6 .6H 2 O (Aldrich), SnCl 2 .2H 2 O (Aldrich),and RhCl 2 .XH 2 O (Aldrich) as metals sources and Vulcan XC72 as support. The electrocatalysts were characterized by EDX, XRD and cyclic voltammetry (CV). The electro-oxidation of ethanol was studied by CV, chronoamperomety at room temperature in acid medium and tests at 100 deg C on a single cell of a direct methanol or ethanol fuel cell. The EDX analysis showed that the metal atomic ratios of the obtained electrocatalysts were similar to the nominal atomic ratios used in the preparation. The diffractograms of electrocatalysts prepared showed four peaks at approximately 2θ = 40 0 , 47 0 , 67 0 and 82 0 , which are associated with the (111), (200), (220) and (311) planes, respectively, of a face cubic-centered (fcc) structure characteristic of platinum and platinum alloys. The average crystallite sizes using the Scherrer equation and the calculated values were in the range of 2–3 nm. For PtSn/C and PtSnRh/C two additional peaks were observed at 2θ = 34 0 and 52 0 that were identified as a SnO 2 phase. PtSn/C (50:50) and PtSnRh/C (50:40:10) electrocatalyst showed the best performance for ethanol oxidation at room temperature. For methanol oxidation at room temperature PtRu/C, PtSn/C and PtRuRh/C electrocatalysts showed the best performance. Tests at 100 deg C on a single cell of a direct ethanol fuel cell PtSnRh/C showed the best performance, for methanol oxidation PtRuRh/C showed the best performance. (author)

  18. Effect of the applied magnetic field and the layer thickness on the magnon properties in bilayers Co/Pt and symmetrical trilayer Pt/Co/Pt

    International Nuclear Information System (INIS)

    Mehdioui, M.; Fahmi, A.; Lassri, H.; Fahoume, M.; Qachaou, A.

    2014-01-01

    We have studied the elementary magnetic excitations and their dynamics in multilayer Co(t Co)/Pt(t Pt) and Pt(t Pt)/Co(t Co)/Pt(t Pt) under an applied magnetic field. The Heisenberg hamiltonian used takes into account the magneto-crystalline and surface anisotropies, the exchange and dipolar interactions. The calculated excitation spectrum ε N (k) presents a structure with two sub-bands corresponding to the magnons of surface and volume respectively. The existence of a gap of creating these magnons is also highlighted. The lifetimes deduced from these gaps are in good agreement with the results of previous studies. The thermal evolution of the magnetization m z indicates that the system undergoes a dimensional crossover 3D–2D when the temperature increases. The calculated and measured magnetizations are compared and they are in good agreement. The exchange integral and critical temperature values deduced from these adjustments are in very good agreement with the results of previous works. - Highlights: • The magnons of surface and volume exist in Co/Pt and Pt/Co/Pt. • Samples undergo dimensional crossover (3D–2D) when T increases. • A good agreement is obtained between M(T) measured and calculated. • Deduced exchange integrals and critical temperature values are correct. • The magnetism of the sample is reduced by increasing t Pt or capping Co by two Pt layers

  19. Development of advanced earthquake resistant performance verification on reinforced concrete underground structures. Pt. 3. Applicability of soil-structure Interaction analysis using nonlinear member model

    International Nuclear Information System (INIS)

    Matsui, Jun; Ohtomo, Keizo; Kawai, Tadashi; Kanatani, Mamoru; Matsuo, Toyofumi

    2003-01-01

    The objective of this study is to obtain verification data concerning performance of RC duct-type underground structures subject to strong earth quakes. This paper presents the investigated results of numerical simulation obtained from shaking table tests of box-type structure models with a scale of about 1/2. We proposed practical nonlinear member models, by which mechanical properties of RC member and soil are defined as hysteresis models (RC: axial force dependent degrading tri-linear model, soil: modified Ramberg-Osgood model), and joint elements are used to evaluate the interaction along the interface of two materials between soil and RC structures; including the slippage and separation. Consequently, the proposed models could simulate the test results on the deformation of soil and RC structure, as well as damage of RC structures which is important in verifying their seismic performance with practical accuracy. (author)

  20. Preparation of PtSn/C, PtRu/C, PtRh/C, PtRuRh/C and PtSnRh/C electrocatalysts using an alcohol-reduction process for methanol and ethanol oxidation; Preparacao e caracterizacao de eletrocatalisadores PtRu, PtSn, PtRh, PtRuRh e PtSnRh para oxidacao direta de alcoois em celulas a combustivel tipo PEM utilizando a metodologia da reducao por alcool

    Energy Technology Data Exchange (ETDEWEB)

    Dias, Ricardo Rodrigues

    2009-07-01

    In this work, Pt/C, PtRh (90:10), PtRh/C (50:50), PtSn/C (50:50), PtRu (50:50)/C, PtRuRh/C (50:40:10) and PtSnRh/C (50:40:10) were prepared by an alcohol-reduction process with metal loading of 20 wt.% using H{sub 2}PtCl{sub 6}.6H{sub 2}O (Aldrich), SnCl{sub 2}.2H{sub 2}O (Aldrich),and RhCl{sub 2}.XH{sub 2}O (Aldrich) as metals sources and Vulcan XC72 as support. The electrocatalysts were characterized by EDX, XRD and cyclic voltammetry (CV). The electro-oxidation of ethanol was studied by CV, chronoamperomety at room temperature in acid medium and tests at 100 deg C on a single cell of a direct methanol or ethanol fuel cell. The EDX analysis showed that the metal atomic ratios of the obtained electrocatalysts were similar to the nominal atomic ratios used in the preparation. The diffractograms of electrocatalysts prepared showed four peaks at approximately 2{theta} =40 deg, 47 deg, 67 deg and 82 deg, which are associated with the (111), (200), (220) and (311) planes, respectively, of a face cubic-centered (fcc) structure characteristic of platinum and platinum alloys. The average crystallite sizes using the Scherrer equation and the calculated values were in the range of 2-3 nm. For Pt Sn/C and PtSnRh/C two additional peaks were observed at 2 = 34 deg and 52 deg that were identified as a SnO{sub 2} phase. Pt Sn/C (50:50) and PtSnRh/C (50:40:10) electro catalyst showed the best performance for ethanol oxidation at room temperature. For methanol oxidation at room temperature Pt Ru/C, Pt Sn/C and PtRuRh/C electrocatalysts showed the best performance. Tests at 100 deg C on a single cell of a direct ethanol fuel cell PtSnRh/C showed the best performance, for methanol oxidation PtRuRh/C showed the best performance. (author)

  1. Preparation of PtSn/C, PtRu/C, PtRh/C, PtRuRh/C and PtSnRh/C electrocatalysts using an alcohol-reduction process for methanol and ethanol oxidation; Preparacao e caracterizacao de eletrocatalisadores PtRu, PtSn, PtRh, PtRuRh e PtSnRh para oxidacao direta de alcoois em celulas a combustivel tipo PEM utilizando a metodologia da reducao por alcool

    Energy Technology Data Exchange (ETDEWEB)

    Dias, Ricardo Rodrigues

    2009-07-01

    In this work, Pt/C, PtRh (90:10), PtRh/C (50:50), PtSn/C (50:50), PtRu (50:50)/C, PtRuRh/C (50:40:10) and PtSnRh/C (50:40:10) were prepared by an alcohol-reduction process with metal loading of 20 wt.% using H{sub 2}PtCl{sub 6}.6H{sub 2}O (Aldrich), SnCl{sub 2}.2H{sub 2}O (Aldrich),and RhCl{sub 2}.XH{sub 2}O (Aldrich) as metals sources and Vulcan XC72 as support. The electrocatalysts were characterized by EDX, XRD and cyclic voltammetry (CV). The electro-oxidation of ethanol was studied by CV, chronoamperomety at room temperature in acid medium and tests at 100 deg C on a single cell of a direct methanol or ethanol fuel cell. The EDX analysis showed that the metal atomic ratios of the obtained electrocatalysts were similar to the nominal atomic ratios used in the preparation. The diffractograms of electrocatalysts prepared showed four peaks at approximately 2θ = 40{sup 0}, 47{sup 0}, 67{sup 0} and 82{sup 0}, which are associated with the (111), (200), (220) and (311) planes, respectively, of a face cubic-centered (fcc) structure characteristic of platinum and platinum alloys. The average crystallite sizes using the Scherrer equation and the calculated values were in the range of 2–3 nm. For PtSn/C and PtSnRh/C two additional peaks were observed at 2θ = 34{sup 0} and 52{sup 0} that were identified as a SnO{sub 2} phase. PtSn/C (50:50) and PtSnRh/C (50:40:10) electrocatalyst showed the best performance for ethanol oxidation at room temperature. For methanol oxidation at room temperature PtRu/C, PtSn/C and PtRuRh/C electrocatalysts showed the best performance. Tests at 100 deg C on a single cell of a direct ethanol fuel cell PtSnRh/C showed the best performance, for methanol oxidation PtRuRh/C showed the best performance. (author)

  2. Preparation and Thermoelectric Characteristics of ITO/PtRh:PtRh Thin Film Thermocouple.

    Science.gov (United States)

    Zhao, Xiaohui; Wang, Hongmin; Zhao, Zixiang; Zhang, Wanli; Jiang, Hongchuan

    2017-12-15

    Thin film thermocouples (TFTCs) can provide more precise in situ temperature measurement for aerospace propulsion systems without disturbance of gas flow and surface temperature distribution of the hot components. ITO/PtRh:PtRh TFTC with multilayer structure was deposited on alumina ceramic substrate by magnetron sputtering. After annealing, the TFTC was statically calibrated for multiple cycles with temperature up to 1000 °C. The TFTC with excellent stability and repeatability was realized for the negligible variation of EMF in different calibration cycles. It is believed that owing to oxygen diffusion barriers by the oxidation of top PtRh layer and Schottky barriers formed at the grain boundaries of ITO, the variation of the carrier concentration of ITO film is minimized. Meanwhile, the life time of TFTC is more than 30 h in harsh environment. This makes ITO/PtRh:PtRh TFTC a promising candidate for precise surface temperature measurement of hot components of aeroengines.

  3. Simulating the pervasive fracture and fragmentation of materials and structures using randomly close-packed Voronoi tessellations.

    Energy Technology Data Exchange (ETDEWEB)

    Bishop, Joseph E.

    2008-09-01

    Under extreme loading conditions most often the extent of material and structural fracture is pervasive in the sense that a multitude of cracks are nucleating, propagating in arbitrary directions, coalescing, and branching. Pervasive fracture is a highly nonlinear process involving complex material constitutive behavior, material softening, localization, surface generation, and ubiquitous contact. Two primary applications in which pervasive fracture is encountered are (1) weapons effects on structures and (2) geomechanics of highly jointed and faulted reservoirs. A pure Lagrangian computational method based on randomly close-packed Voronoi tessellations is proposed as a rational approach for simulating the pervasive fracture of materials and structures. Each Voronoi cell is formulated as a finite element using the reproducing kernel method. Fracture surfaces are allowed to nucleate only at the intercell faces. The randomly seeded Voronoi cells provide an unbiased network for representing cracks. In this initial study two approaches for allowing the new surfaces to initiate are studied: (1) dynamic mesh connectivity and the instantaneous insertion of a cohesive traction when localization is detected, and (2) a discontinuous Galerkin approach in which the interelement tractions are an integral part of the variational formulation, but only become active once localization is detected. Pervasive fracture problems are extremely sensitive to initial conditions and system parameters. Dynamic problems exhibit a form of transient chaos. The primary numerical challenge for this class of problems is the demonstration of model objectivity and, in particular, the identification and demonstration of a measure of convergence for engineering quantities of interest.

  4. Nuclear structure of the N = Z odd - odd nuclei around N=28 closed shell interpreted with IBFFM

    International Nuclear Information System (INIS)

    Dragulescu, E.; Serbanut, G. C.; Serbanut, I.

    2001-01-01

    In the very recent years the knowledge of the level structure at lower and higher energies in the fpg shell N=Z nuclei has renewed a growing interest due to major improvements in the theoretical techniques. Going away from closed shell, the shell model calculations rapidly exhaust computer capabilities and we must resort to the model observed on collective phenomena. The fpg odd-odd N = Z nuclei close to the doubly magic 56 Ni nucleus are good candidates to investigate the competition between collective and single-particle excitations. Here part of the results obtained from an exhaustive systematic study of the self conjugate doubly-odd nuclei with A > 62: 62 Ga and 66 As nuclei using the interacting - boson - fermion - fermion - model (IBFFM) is presented. The odd-odd nuclei are described in the framework of the IBFFM by coupling valence shell proton and neutron quasiparticles to even-even core described in the interacting - boson model. In the first step of the calculations the core parameters for 60 Zn and 64 Ge cores were fitted to the energies of their excited states. In the second step of calculations, we have adjusted the IBFM proton Hamiltonian to the low - lying levels of 63 Ga and 67 As nuclei and IBFM neutron Hamiltonian of low - lying levels of 61 Zn and 65 Ge nuclei involved in the cases of the structure of odd-odd 62 Ga and 66 As nuclei. We have finally calculated the level spectra and electromagnetic properties of above mentioned nuclei. The IBFFM positive - parity energy spectra are compared with experimental ones. The calculations show a reasonable agreement with experimental data and existing shell - model calculations. (authors)

  5. Theoretical study of the elastic and thermodynamic properties of Pt_{3}Al with the L1_{2} structure under high pressure

    Directory of Open Access Journals (Sweden)

    N. Wei

    2015-12-01

    Full Text Available In this work, the elastic and thermodynamic properties of Pt_{3}Al under high pressure are investigated using density functional theory within the generalized gradient approximation. The results of bulk modulus and elastic constants at zero pressure are in good agreement with the available theoretical and experimental values. Under high pressure, all the elastic constants meet the corresponding mechanical stability criteria, meaning that Pt_{3}Al possesses mechanical stability. In addition, the elastic constants and elastic modulus increase linearly with the applied pressure. According to the Poisson's ratio ν and elastic modulus ratio (B/G, Pt_{3}Al alloy is found to be ductile, and higher pressure can significantly enhance the ductility. Those indicate that the elastic properties of Pt_{3}Al will be improved under high pressure. Through the quasi-harmonic Debye model, we first successfully report the variations of the Debye temperature Θ_{D}, specific heats C_{P}, thermal expansion coefficient α, and Grüneisen parameter γ under pressure range from 0 to 100 GPa and temperature range from 0 to 1000 K.

  6. XRD, DRS, and SEM stundies of the effects of metal dopants (Pt and Au) on the structural and optical properties of TiO2

    CSIR Research Space (South Africa)

    Moloantoa, JR

    2011-07-01

    Full Text Available Au and Pt doped TiO2 nanocrystlas were prepared using the sol gel method. Diffuse Reflectance Spectroscopy (DRS) was used to study the characteristics of these precious metals and X-ray diffraction (XRD) with calculated lattice parameters was used...

  7. Can Excited State Electronic Coherence Be Tuned via Molecular Structural Modification? A First-Principles Quantum Electronic Dynamics Study of Pyrazolate-Bridged Pt(II) Dimers

    Energy Technology Data Exchange (ETDEWEB)

    Lingerfelt, David B.; Lestrange, Patrick J.; Radler, Joseph J.; Brown-Xu, Samantha E.; Kim, Pyosang; Castellano, Felix N.; Chen, Lin X.; Li, Xiaosong

    2017-02-24

    Materials and molecular systems exhibiting long-lived electronic coherence can facilitate coherent transport, opening the door to efficient charge and energy transport beyond traditional methods. Recently, signatures of a possible coherent, recurrent electronic motion were identified in femtosecond pump-probe spectroscopy experiments on a binuclear platinum complex, where a persistent periodic beating in the transient absorption signal’s anisotropy was observed. In this study, we investigate the excitonic dynamics that underlie the suspected electronic coherence for a series of binuclear platinum complexes exhibiting a range of interplatinum distances. Results suggest that the long-lived coherence can only result when competitive electronic couplings are in balance. At longer Pt-Pt distances, the electronic couplings between the two halves of the binuclear system weaken, and exciton localization and recombination is favored on short time scales. For short Pt-Pt distances, electronic couplings between the states in the coherent superposition are stronger than the coupling with other excitonic states, leading to long-lived coherence.

  8. PT and INR Test

    Science.gov (United States)

    ... Plasma Free Metanephrines Platelet Count Platelet Function Tests Pleural Fluid Analysis PML-RARA Porphyrin Tests Potassium Prealbumin ... and vitamin K (either in a multivitamin or liquid nutrition supplement) may decrease PT. Certain foods, such ...

  9. Au(111) and Pt(111) surface phase behavior

    DEFF Research Database (Denmark)

    Sandy, A.R.; Mochrie, S.G.J.; Zehner, D.M.

    1993-01-01

    We describe our recent X-ray scattering studies of the structure and phases of the clean Au(111) and Pt(111) surfaces. Below 0.65 of their respective bulk melting temperatures, the Au(111) surface has a well-ordered chevron reconstruction and the Pt(111) surface is unreconstructed. Above these te......We describe our recent X-ray scattering studies of the structure and phases of the clean Au(111) and Pt(111) surfaces. Below 0.65 of their respective bulk melting temperatures, the Au(111) surface has a well-ordered chevron reconstruction and the Pt(111) surface is unreconstructed. Above...

  10. Reactions of R(2)P-P(SiMe(3))Li with [(R'(3)P)(2)PtCl(2)]. A general and efficient entry to phosphanylphosphinidene complexes of platinum. Syntheses and structures of [(eta(2)-P=(i)Pr(2))Pt(p-Tol(3)P)(2)], [(eta(2)-P=(t)Bu(2))Pt(p-Tol(3)P)(2)], [{eta(2)-P=(N(i)Pr(2))(2)}Pt(p-Tol(3)P)(2)] and [{(Et(2)PhP)(2)Pt}(2)P(2)].

    Science.gov (United States)

    Domańska-Babul, Wioleta; Chojnacki, Jaroslaw; Matern, Eberhard; Pikies, Jerzy

    2009-01-07

    The reactions of lithium derivatives of diphosphanes R(2)P-P(SiMe(3))Li (R = (t)Bu, (i)Pr, Et(2)N and (i)Pr(2)N) with [(R'(3)P)(2)PtCl(2)] (R'(3)P = Et(3)P, Et(2)PhP, EtPh(2)P and p-Tol(3)P) proceed in a facile manner to afford side-on bonded phosphanylphosphinidene complexes of platinum [(eta(2)-P=R(2))Pt(PR'(3))(2)]. The related reactions of Ph(2)P-P(SiMe(3))Li with [(R'(3)P)(2)PtCl(2)] did not yield [(eta(2)-P=PPh(2))Pt(PR'(3))(2)] and resulted mainly in the formation of [{(R'(3)P)(2)Pt}(2)P(2)], Ph(2)P-PLi-PPh(2), (Me(3)Si)(2)PLi and (Me(3)Si)(3)P. Crystallographic data are reported for the compounds [(eta(2)-P=R(2))Pt(p-Tol(3)P)(2)] (R = (t)Bu, (i)Pr, ((i)Pr(2)N)(2)P) and for [{(Et(2)PhP)(2)Pt}(2)P(2)].

  11. Improving the stability and ethanol electro-oxidation activity of Pt catalysts by selectively anchoring Pt particles on carbon-nanotubes-supported-SnO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Li, J.J.; Wang, J.S.; Zhao, J.H.; Song, C.Y.; Wang, L.C. [School of Chemical Engineering and Energy, Zhengzhou University, Zhengzhou (China); Guo, X. [Department of Chemistry, Tsinghua University, Beijing (China)

    2012-10-15

    To improve the stability and activity of Pt catalysts for ethanol electro-oxidation, Pt nanoparticles were selectively deposited on carbon-nanotubes (CNTs)-supported-SnO{sub 2} to prepare Pt/SnO{sub 2}/CNTs and Pt/CNTs was prepared by impregnation method for reference study. X-ray diffraction (XRD) was used to confirm the crystalline structures of Pt/SnO{sub 2}/CNTs and Pt/CNTs. The stabilities of Pt/SnO{sub 2}/CNTs and Pt/CNTs were compared by analyzing the Pt size increase amplitude using transmission electron microscopy (TEM) images recorded before and after cyclic voltammetry (CV) sweeping. The results showed that the Pt size increase amplitude is evidently smaller for Pt/SnO{sub 2}/CNTs, indicating the higher stability of Pt/SnO{sub 2}/CNTs. Although both catalysts exhibit degradation of electrochemical active surface area (EAS) after CV sweeping, the EAS degradation for the former is lower, further confirming the higher stability of Pt/SnO{sub 2}/CNTs. CV and potentiostatic current-time curves were recorded for ethanol electro-oxidation on both catalysts before and after CV sweeping and the results showed that the mass specific activity of Pt/CNTs increases more than that of Pt/SnO{sub 2}/CNTs, indicating that Pt/CNTs experiences more severe evolution and is less stable. The calculated area specific activity of Pt/SnO{sub 2}/CNTs is larger than that of Pt/CNTs, indicating SnO{sub 2} can co-catalyze Pt due to plenty of interfaces between SnO{sub 2} and Pt. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  12. Structural studies of precursor and partially oxidized conducting complexes. XIII. A neutron diffraction and x-ray diffuse scattering study of the dimerized platinum chain in rubidium tetracyanoplatinate chloride (2:1:0.3) trihydrate, Rb2[Pt(CN)4]Cl03.3.0H2O

    International Nuclear Information System (INIS)

    Williams, J.M.; Johnson, P.L.; Schultz, A.J.; Coffey, C.C.

    1978-01-01

    The crystal structure and molecular formula of the one-dimensional conductor Rb 2 [Pt(CN) 4 ]Cl 0 . 30 . 3.0H 2 O, RbCP(Cl), have been fully characterized using single-crystal neutron diffraction, x-ray diffuse scattering data, and thermogravimetric analysis. RbCP(Cl) is isostructural with KCP(Cl) and KCP(Br) except that only one halide site can be identified. From thermogravimetric analyses RbCP(Cl) is a 3.0 hydrate as is KCP(Br). RbCP(Cl) crystallizes in the tetragonal space group P4mm, with unit cell dimensions a = 10.142 (6) A, c = 5.801 (4) A, V/sub c/ = 596.7 A 3 , and Z = 2. Using x-ray diffuse scattering techniques we have established the Pt oxidation as +2.31 (2) from which the molecular formula Rb 2 [Pt(CN) 4 ]Cl/sub 0.31(2)/ . 3.0H 2 O is obtained. The structure consists of nearly planar Pt(CN) 4 moieties stacked along the c axis forming a perfectly linear Pt-Pt chain. The crystal asymmetric unit contains two independent Pt(CN) 4 1 . 7- groups, two H 2 O sites, one Rb + site, and one Cl - site. The asymmetric ordering of the Rb + ion and the H 2 O molecules constitutes the main source of crystal asymmetry. The two-independent Pt-Pt chain distances are definitely unequal (2.877 (8) and 2.924 (8) A) with the average intrachain separation (2.90 A) being slightly longer than in KCP(Br) (2.88 A) and KCP(Cl) (2.87 A). The replacement of K + by Rb + results in lattice expansion along c, which produces larger Pt-Pt intrachain separations. Thus the unequal and slightly longer Pt-Pt separations in RbCP(Cl), apparently result in increased electron localization along the Pt-atom chain and a concomitant decrease in the electrical conductivity. 10 figures, 3 tables

  13. Segregation and stability at Pt3Ni(1 1 1) surfaces and Pt75Ni25 nanoparticles

    International Nuclear Information System (INIS)

    Fowler, Ben; Lucas, Christopher A.; Omer, Ahmed; Wang, Guofeng; Stamenkovic, Vojislav R.; Markovic, Nenad M.

    2008-01-01

    Using in situ surface X-ray diffraction we have determined the atomic structure and stability of a Pt 3 Ni(1 1 1) surface in the electrochemical environment. Surface segregation leads to a pure Pt(1 1 1) skin with enrichment of Ni in the sub-surface atomic layer that determines the surface electronic structure. The Pt-skin surface exhibits inward relaxation upon the adsorption of oxygenated species and this explains the surface stability compared to pure Pt(1 1 1). Using Monte Carlo calculations it is shown that nanoparticles with the same surface composition and stochiometry are energetically stable

  14. Structures of Ta22W4O67 and Ta74W6O203. Pt. 1. Refined structural models using synchrotron radiation

    International Nuclear Information System (INIS)

    Schmid, S.

    1995-01-01

    The crystal structures of Ta 22 W 4 O 67 [M r = 5788.19, a = 6.1485 (5), b = 47.6205 (12), c = 3.8559 (3) A, γ = 90.04 (1) , space group = C112/m (non-standard setting), Z = 1, D x = 8.513 g cm -3 , F(000) = 2438] and Ta 74 W 6 O 203 [M r = 17741.06, a = 6.1664 (5), b = 29.2717 (14), c = 3.8731 (2) A, space group = Pbam (no. 55), Z = 0.2, D x = 8.428 g cm -3 , F(000) 1494] were determined using synchrotron radiation at four different wavelengths below the Ta L III edge [λ = 1.2741 (-146 eV), λ = 1.2586 (-26 eV), λ = 1.2571 (-14 eV) and λ = 1.2563 A (-8 eV)]. The collection of data immediately below the Ta L III edge at -8 eV enabled resolution of Ta and W of up to eight electrons, which assisted in the refinement of Ta/W ordering for both structures. Bond valence arguments have been used to locate oxygen vacancies required by the formulae. From the largest data set for Ta 22 W 4 O 67 (λ = 1.2741 A), a final value of 0.0481 for R 1 = Σ parallel F obs (h)vertical stroke - vertical stroke F calc (h) parallel /Σvertical stroke F obs (h)vertical stroke was obtained for 3082 unmerged reflections with I(h) > 3σ[I(h)] and for Ta 74 W 6 O 203 (λ = 1.2563 A) a final value of 0.0571 for R 1 was obtained for 5675 unmerged reflections. The two structures are described from a conventional polyhedral perspective as 13- and 8-times superstructures occurring in the solid solution (1-x)Ta 2 O 5 xWO 3 , 0 ≤ x ≤ 0.267. (orig.)

  15. The Pt site reactivity of the molecular graphs of Au6Pt isomers

    Science.gov (United States)

    Xu, Tianlv; Jenkins, Samantha; Xiao, Chen-Xia; Maza, Julio R.; Kirk, Steven R.

    2013-12-01

    Within the framework of the theory of atoms in molecules (QTAIM), in an exploratory study we propose a new measure of site reactivity equivalent to the atomic coordination number based purely on the electronic structure. It was found that the number of ring critical points (NNRCPs) positioned on the boundary of the atomic basin of the dopant (Pt) nucleus correlated very well with the relative zero point energy (ZPE) corrected energies. A weaker condition (i.e. than the number of associated bond paths) for the association of the dopant Pt nucleus with the Au6Pt molecular graph is found for NNRCP = 0.

  16. Structural organization of the genes for rat von Ebner's gland proteins 1 and 2 reveals their close relationship to lipocalins.

    Science.gov (United States)

    Kock, K; Ahlers, C; Schmale, H

    1994-05-01

    The rat von Ebner's gland protein 1 (VEGP 1) is a secretory protein, which is abundantly expressed in the small acinar von Ebner's salivary glands of the tongue. Based on the primary structure of this protein we have previously suggested that it is a member of the lipocalin superfamily of lipophilic-ligand carrier proteins. Although the physiological role of VEGP 1 is not clear, it might be involved in sensory or protective functions in the taste epithelium. Here, we report the purification of VEGP 1 and of a closely related secretory polypeptide, VEGP 2, the isolation of a cDNA clone encoding VEGP 2, and the isolation and structural characterization of the genes for both proteins. Protein purification by gel-filtration and anion-exchange chromatography using Mono Q revealed the presence of two different immunoreactive VEGP species. N-terminal sequence determination of peptide fragments isolated after protease Asp-N digestion allowed the identification of a new VEGP, named VEGP 2, in addition to the previously characterized VEGP 1. The complete VEGP 2 sequence was deduced from a cDNA clone isolated from a von Ebner's gland cDNA library. The VEGP 2 cDNA encodes a protein of 177 amino acids and is 94% identical to VEGP 1. DNA sequence analysis of the rat VEGP 1 and 2 genes isolated from rat genomic libraries revealed that both span about 4.5 kb and contain seven exons. The VEGP 1 and 2 genes are non-allelic distinct genes in the rat genome and probably arose by gene duplication. The high degree of nucleotide sequence identity in introns A-C (94-100%) points to a recent gene conversion event that included the 5' part of the genes. The genomic organization of the rat VEGP genes closely resembles that found in other lipocalins such as beta-lactoglobulin, mouse urinary proteins (MUPs) and prostaglandin D synthase, and therefore provides clear evidence that VEGPs belong to this superfamily of proteins.

  17. Epitaxial growth of zigzag PtAu alloy surface on Au nano-pentagrams with enhanced Pt utilization and electrocatalytic performance toward ethanol oxidation reaction

    International Nuclear Information System (INIS)

    Du, Cheng; Gao, Xiaohui; Zhuang, Zhihua; Cheng, Chunfeng; Zheng, Fuqin; Li, Xiaokun; Chen, Wei

    2017-01-01

    Highlights: • PtAu nanoalloy surface is heteroepitaxially grown on the pre-synthesized Au nano-pentagrams. • The PtAu/Au nano-pentagrams exhibit excellent electrocatalytic activity for ethanol oxidation. • The charge transfer resistance of PtAu/Au is lower than that of commercial Pt/C. • The durability and anti-poisoning ability of PtAu/Au is much better than those of commercial Pt/C - Abstract: Improving Pt utilization is of fundamental importance for many significant processes in energy conversion, which is strongly dependent on the surface structure of used catalysts. Based on the traditional Pt-on-Au system which has been proved to be an ideal nanostructure for improving the catalytic activity and stability of Pt, and the recent follow-up studies on this system, we introduce here a new strategy for fabricating Pt surface with high-index facets over the Pt-on-Au system. To achieve this goal, we elaborately designed and fabricated a unique zigzag PtAu alloy nanosurface on Au nano-pentagrams (PtAu/Au NPs) through epitaxial growth of Pt along the high-index facets on the pre-synthesized Au nano-pentagrams. Owing to the surface electronic interaction between Au and Pt and the exposed high-index facets from the unique morphology of zigzag PtAu alloy nanosurface, the as-prepared PtAu/Au NPs exhibited excellent electrocatalytic performance toward ethanol oxidation reaction (EOR) in alkaline condition. The specific activity (8.3 mA cm"−"2) and mass activity (4.4 A mg"−"1) obtained from PtAu/Au NPs are about 5.2 and 5.5 times, respectively, higher than those from commercial Pt/C for EOR.

  18. Very high coercivities of top-layer diffusion Au/FePt thin films

    International Nuclear Information System (INIS)

    Yuan, F.T.; Chen, S.K.; Liao, W.M.; Hsu, C.W.; Hsiao, S.N.; Chang, W.C.

    2006-01-01

    The Au/FePt samples were prepared by depositing a gold cap layer at room temperature onto a fully ordered FePt layer, followed by an annealing at 800 deg. C for the purpose of interlayer diffusion. After the deposition of the gold layer and the high-temperature annealing, the gold atoms do not dissolve into the FePt Ll 0 lattice. Compared with the continuous FePt film, the TEM photos of the bilayer Au(60 nm)/FePt(60 nm) show a granular structure with FePt particles embedded in Au matrix. The coercivity of Au(60 nm)/FePt(60 nm) sample is 23.5 kOe, which is 85% larger than that of the FePt film without Au top layer. The enhancement in coercivity can be attributed to the formation of isolated structure of FePt ordered phase

  19. Preparation, structural and luminescent properties of nanocrystalline ZnO films doped Ag by close space sublimation method

    Science.gov (United States)

    Khomchenko, Viktoriya; Mazin, Mikhail; Sopinskyy, Mykola; Lytvyn, Oksana; Dan'ko, Viktor; Piryatinskii, Yurii; Demydiuk, Pavlo

    2018-05-01

    The simple way for silver doping of ZnO films is presented. The ZnO films were prepared by reactive rf-magnetron sputtering on silicon and sapphire substrates. Ag doping is carried out by sublimation of the Ag source located at close space at atmospheric pressure in air. Then the ZnO and ZnO-Ag films were annealed in wet media. The microstructure and optical properties of the films were compared and studied by atomic force microscopy (AFM), X-ray diffraction (XRD), photoluminescence (PL) and cathodoluminescence (CL). XRD results indicated that all the ZnO films have a polycrystalline hexagonal structure and a preferred orientation with the c-axis perpendicular to the substrate. The annealing and Ag doping promote increasing grain's sizes and modification of grain size distribution. The effect of substrate temperature, substrate type, Ag doping and post-growth annealing of the films was studied by PL spectroscopy. The effect of Ag doping was obvious and identical for all the films, namely the wide visible bands of PL spectra are suppressed by Ag doping. The intensity of ultraviolet band increased 15 times as compared to their reference films on sapphire substrate. The ultraviolet/visible emission ratio was 20. The full width at half maximum (FWHM) for a 380 nm band was 14 nm, which is comparable with that of epitaxial ZnO. The data implies the high quality of ZnO-Ag films. Possible mechanisms to enhance UV emission are discussed.

  20. Mechanisms of current conduction in Pt/BaTiO3/Pt resistive switching cell

    International Nuclear Information System (INIS)

    Pan, R.K.; Zhang, T.J.; Wang, J.Y.; Wang, J.Z.; Wang, D.F.; Duan, M.G.

    2012-01-01

    The 80-nm-thickness BaTiO 3 (BT) thin film was prepared on the Pt/Ti/SiO 2 /Si substrate by the RF magnetron sputtering technique. The Pt/BT/Pt/Ti/SiO 2 /Si structure was investigated using X-ray diffraction and scanning electron microscopy. The current–voltage characteristic measurements were performed. The bipolar resistive switching behavior was found in the Pt/BT/Pt cell. The current–voltage curves were well fitted in different voltage regions at the high resistance state (HRS) and the low resistance state (LRS), respectively. The conduction mechanisms are concluded to be Ohmic conduction and Schottky emission at the LRS, while space-charge-limited conduction and Poole–Frenkel emission at the HRS. The electroforming and switching processes were explained in terms of the valence change mechanism, in which oxygen vacancies play a key role in forming conducting paths. - Highlights: ►Pt/BaTiO 3 /Pt cell shows the bipolar resistive switching behavior. ►The current–voltage curves were well fitted for different conduction mechanisms. ►The electroforming and switching processes were explained.

  1. CO tolerance of PdPt/C and PdPtRu/C anodes for PEMFC

    International Nuclear Information System (INIS)

    Garcia, Amanda C.; Paganin, Valdecir A.; Ticianelli, Edson A.

    2008-01-01

    The performance of H 2 /O 2 proton exchange membrane fuel cells (PEMFCs) fed with CO-contaminated hydrogen was investigated for anodes with PdPt/C and PdPtRu/C electrocatalysts. The physicochemical properties of the catalysts were characterized by energy dispersive X-ray (EDX) analyses, X-ray diffraction (XRD) and 'in situ' X-ray absorption near edge structure (XANES). Experiments were conducted in electrochemical half and single cells by cyclic voltammetry (CV) and I-V polarization measurements, while DEMS was employed to verify the formation of CO 2 at the PEMFC anode outlet. A quite high performance was achieved for the PEMFC fed with H 2 + 100 ppm CO with the PdPt/C and PdPtRu/C anodes containing 0.4 mg metal cm -2 , with the cell presenting potential losses below 200 mV at 1 A cm -2 , with respect to the system fed with pure H 2 . For the PdPt/C catalysts no CO 2 formation was seen at the PEMFC anode outlet, indicating that the CO tolerance is improved due to the existence of more free surface sites for H 2 electrooxidation, probably due to a lower Pd-CO interaction compared to pure Pd or Pt. For PdPtRu/C the CO tolerance may also have a contribution from the bifunctional mechanism, as shown by the presence of CO 2 in the PEMFC anode outlet

  2. The controlled formation and cleavage of an intramolecular d8-d8 Pt-Pt interaction in a dinuclear cycloplatinated molecular "pivot-hinge".

    Science.gov (United States)

    Koo, Chi-Kin; Wong, Ka-Leung; Lau, Kai-Cheung; Wong, Wai-Yeung; Lam, Michael Hon-Wah

    2009-08-03

    The bis(diphenylphosphino)methane (dppm)-bridged dinuclear cycloplatinated complex {[Pt(L)](2)(mu-dppm)}(2+) (Pt(2)dppm; HL: 2-phenyl-6-(1H-pyrazol-3-yl)-pyridine) demonstrates interesting reversible "pivot-hinge"-like intramolecular motions in response to the protonation/deprotonation of L. In its protonated "closed" configuration, the two platinum(II) centers are held in position by intramolecular d(8)-d(8) Pt-Pt interaction. In its deprotonated "open" configuration, such Pt-Pt interaction is cleaved. To further understand the mechanism behind this hingelike motion, an analogous dinuclear cycloplatinated complex, {[Pt(L)](2)(mu-dchpm)}(2+) (Pt(2)dchpm) with bis(dicyclohexylphosphino)methane (dchpm) as the bridging ligand, was synthesized. From its protonation/deprotonation responses, it was revealed that aromatic pi-pi interactions between the phenyl moieties of the mu-dppm and the deprotonated pyrazolyl rings of L was essential to the reversible cleavage of the intramolecular Pt-Pt interaction in Pt(2)dppm. In the case of Pt(2)dchpm, spectroscopic and spectrofluorometric titrations as well as X-ray crystallography indicated that the distance between the two platinum(II) centers shrank upon deprotonation, thus causing a redshift in its room-temperature triplet metal-metal-to-ligand charge-transfer emission from 614 to 625 nm. Ab initio calculations revealed the presence of intramolecular hydrogen bonding between the deprotonated and negatively charged 1-pyrazolyl-N moiety and the methylene CH and phenyl C-H of the mu-dppm. The "open" configuration of the deprotonated Pt(2)dppm was estimated to be 19 kcal mol(-1) more stable than its alternative "closed" configuration. On the other hand, the open configuration of the deprotonated Pt(2)dchpm was 6 kcal mol(-1) less stable than its alternative closed configuration.

  3. Sonochemical synthesis and characterization of Pt/CNT, Pt/TiO2, and Pt/CNT/TiO2 electrocatalysts for methanol electro-oxidation

    International Nuclear Information System (INIS)

    Bedolla-Valdez, Z.I.; Verde-Gómez, Y.; Valenzuela-Muñiz, A.M.; Gochi-Ponce, Y.; Oropeza-Guzmán, M.T.; Berhault, Gilles; Alonso-Núñez, G.

    2015-01-01

    Highlights: • Pt/CNT/TiO 2 electrocatalyst was successfully prepared by the sonochemical method. • The electrocatalyst Pt/CNT/TiO 2 was synthesized without heat treatments, additives or surfactants. • The TiO 2 -Pt interaction improves the CO-tolerance of Pt/CNT/TiO 2 , as well as the electrocatalyst stability. • Low amount of multi-walled carbon nanotubes increases the current density of Pt/CNT/TiO 2 significantly compared to Pt/TiO 2 . - Abstract: Pt electrocatalyst supported on composite formed of multi-walled carbon nanotubes and titanium oxide (CNT/TiO 2 ) was successfully synthesized by a sonochemical method without heat treatments, surfactants or additives. This electrocatalyst could be used for direct methanol fuel cells (DMFC) applications. For comparison, Pt/CNT and Pt/TiO 2 electrocatalysts were prepared as reference samples. Structural properties and morphology of the synthesized materials were examined by X-ray diffraction, transmission electron microscopy, Raman spectroscopy, X-ray photoelectron spectroscopy and their specific surface areas were determined by the Brunauer-Emmett-Teller method. The Pt and acid-treated CNT contents were analyzed by inductively coupled plasma atomic emission spectroscopy and thermogravimetric analysis, respectively. The electrochemical properties of the synthesized electrocatalysts were evaluated by cyclic voltammetry (CV) and chronoamperometry in a three-electrode cell at room temperature. The evaluation performed using electrochemical techniques suggests that TiO 2 promotes the CO-tolerance due to TiO 2 -Pt interaction. The CV tests demonstrated that 6 wt.% of acid-treated CNT increases significantly the current density when Pt selectively interacts with TiO 2 .

  4. The atomistic origin of the extraordinary oxygen reduction activity of Pt3Ni7 fuel cell catalysts.

    Science.gov (United States)

    Fortunelli, Alessandro; Goddard Iii, William A; Sementa, Luca; Barcaro, Giovanni; Negreiros, Fabio R; Jaramillo-Botero, Andrés

    2015-07-01

    Recently Debe et al. reported that Pt 3 Ni 7 leads to extraordinary Oxygen Reduction Reaction (ORR) activity. However, several reports show that hardly any Ni remains in the layers of the catalysts close to the surface ("Pt-skin effect"). This paradox that Ni is essential to the high catalytic activity with the peak ORR activity at Pt 3 Ni 7 while little or no Ni remains close to the surface is explained here using large-scale first-principles-based simulations. We make the radical assumption that processing Pt-Ni catalysts under ORR conditions would leach out all Ni accessible to the solvent. To simulate this process we use the ReaxFF reactive force field, starting with random alloy particles ranging from 50% Ni to 90% Ni and containing up to ∼300 000 atoms, deleting the Ni atoms, and equilibrating the resulting structures. We find that the Pt 3 Ni 7 case and a final particle radius around 7.5 nm lead to internal voids in communication with the exterior, doubling the external surface footprint, in fair agreement with experiment. Then we examine the surface character of these nanoporous systems and find that a prominent feature in the surface of the de-alloyed particles is a rhombic structure involving 4 surface atoms which is crystalline-like but under-coordinated. Using density-functional theory, we calculate the energy barriers of ORR steps on Pt nanoporous catalysts, focusing on the O ad -hydration reaction (O ad + H 2 O ad → OH ad + OH ad ) but including the barriers of O 2 dissociation (O 2ad → O ad + O ad ) and water formation (OH ad + H ad → H 2 O ad ). We find that the reaction barrier for the O ad -hydration rate-determining-step is reduced significantly on the de-alloyed surface sites compared to Pt(111). Moreover we find that these active sites are prevalent on the surface of particles de-alloyed from a Pt-Ni 30 : 70 initial composition. These simulations explain the peak in surface reactivity at Pt 3 Ni 7 , and provide a rational guide to

  5. Influence of Sn content on PtSn/C catalysts for electrooxidation of C{sub 1}-C{sub 3} alcohols: Synthesis, characterization, and electrocatalytic activity

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jae Hong; Choi, Sung Mook; Nam, Sang Hoon; Seo, Min Ho; Kim, Won Bae [Department of Materials Science and Engineering, Gwangju Institute of Science and Technology (GIST), 261 Cheomdan-gwagiro, Buk-gu, Gwangju 500-712 (Korea); Choi, Sun Hee [Pohang Accelerator Laboratory, San-31 Hyoja-dong, Pohang, Kyungbuk 790-984 (Korea)

    2008-07-16

    A series of carbon-supported bimetallic PtSn catalysts for the electrooxidation of C{sub 1}-C{sub 3} alcohols (i.e., methanol (C{sub 1}), ethanol (C{sub 2}), and 1-propanol (C{sub 3})) were prepared with different Pt:Sn atomic ratios using borohydride reduction method combined with freeze-drying procedure at room temperature. The catalysts were investigated by employing various physicochemical analyses: X-ray diffraction (XRD), transmission electron microscopy (TEM) and extended X-ray absorption fine structure (EXAFS) to investigate the structural modification, and X-ray photoelectron spectroscopy (XPS) and X-ray absorption-near-edge spectroscopy (XANES) to characterize the change in electronic features. The variation of Sn content by forming PtSn alloys causes significant structural and electronic modifications of Pt crystallites, resulting in increases of lattice parameter and decreases of the Pt 5d band vacancies with Sn content. Cyclic voltammetry (CV) measurements showed that the addition of Sn into the Pt catalyst promotes the electro-catalytic activities for the electrooxidations of C{sub 1}, C{sub 2}, and C{sub 3} alcohols, in which the maximum activities appeared at different Sn contents for the C{sub 1}-C{sub 3} alcohols. In particular, a shift in optimum Pt:Sn composition was observed in that the Sn content required to reach the maximum peak current density was increased with the increasing number of carbon atoms in the C{sub 1}-C{sub 3} alcohols. Both the geometric and electronic effects with variation of Sn content are in close relationship in the bimetallic PtSn catalysts, consequently affecting the electrocatalytic activities by showing volcano-type behaviors over the electrooxidation of the individual alcohol. (author)

  6. Optical properties of monodispersive FePt nanoparticle films

    Energy Technology Data Exchange (ETDEWEB)

    Lee, S.J.; Lo, C.C.H. [Ames Laboratory, Iowa State University, Ames, IA 50011 (United States); Yu, A.C.C. [Sony Corporation, Sendai Technology Center, 3-4-1 Sakuragi, Miyagi 985-0842 (Japan); Fan, M. [Center for Sustainable Environmental Technologies, Iowa State University, Ames, IA 50011 (United States)

    2004-10-01

    The optical properties of monodispersive FePt nanoparticle films were investigated using spectroscopic ellipsometry in the energy range of 1.5 to 5.5 eV. The monodispersive FePt nanoparticle film was stabilized on a Si substrate by means of an organosilane coupling film, resulting in the formation of a (Si/SiO{sub 2}/APTS/FePt nanoparticles monolayer) structure. Multilayer optical models were employed to study the contribution of the FePt nanoparticles to the measured optical properties of the monodispersive FePt nanoparticle film, and to estimate the optical properties of the FePt nanoparticle layer. (copyright 2004 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  7. Interface architecture determined electrocatalytic activity of Pt on vertically oriented TiO(2) nanotubes.

    Science.gov (United States)

    Rettew, Robert E; Allam, Nageh K; Alamgir, Faisal M

    2011-02-01

    The surface atomic structure and chemical state of Pt is consequential in a variety of surface-intensive devices. Herein we present the direct interrelationship between the growth scheme of Pt films, the resulting atomic and electronic structure of Pt species, and the consequent activity for methanol electro-oxidation in Pt/TiO(2) nanotube hybrid electrodes. X-ray photoelectron spectroscopy (XPS) and X-ray absorption spectroscopy (XAS) measurements were performed to relate the observed electrocatalytic activity to the oxidation state and the atomic structure of the deposited Pt species. The atomic structure as well as the oxidation state of the deposited Pt was found to depend on the pretreatment of the TiO(2) nanotube surfaces with electrodeposited Cu. Pt growth through Cu replacement increases Pt dispersion, and a separation of surface Pt atoms beyond a threshold distance from the TiO(2) substrate renders them metallic, rather than cationic. The increased dispersion and the metallic character of Pt results in strongly enhanced electrocatalytic activity toward methanol oxidation. This study points to a general phenomenon whereby the growth scheme and the substrate-to-surface-Pt distance dictates the chemical state of the surface Pt atoms, and thereby, the performance of Pt-based surface-intensive devices.

  8. Microemulsion prepared Ni88Pt12 for methane cracking

    KAUST Repository

    Zhou, Lu

    2017-01-16

    Monodispersed NiPt nanoparticles of 10 nm were synthesized by water-in-oil microemulsion. The Ni-Pt alloy structure was stable during the thermal treatment between 330 and 1037 °C, whereas the relatively low temperature range of 600-700 °C was favorable for methane cracking to produce hydrogen and carbon nanotubes.

  9. Microemulsion prepared Ni88Pt12 for methane cracking

    KAUST Repository

    Zhou, Lu; Harb, Moussab; Hedhili, Mohamed N.; Mana, Noor Al; Basset, Jean-Marie

    2017-01-01

    Monodispersed NiPt nanoparticles of 10 nm were synthesized by water-in-oil microemulsion. The Ni-Pt alloy structure was stable during the thermal treatment between 330 and 1037 °C, whereas the relatively low temperature range of 600-700 °C was favorable for methane cracking to produce hydrogen and carbon nanotubes.

  10. Structure Sensitivity in Pt Nanoparticle Catalysts for Hydrogenation of 1,3-Butadiene: In Situ Study of Reaction Intermediates Using SFG Vibrational Spectroscopy

    KAUST Repository

    Michalak, William D.

    2013-01-31

    The product selectivity during 1,3-butadiene hydrogenation on monodisperse, colloidally synthesized, Pt nanoparticles was studied under reaction conditions with kinetic measurements and in situ sum frequency generation (SFG) vibrational spectroscopy. SFG was performed with the capping ligands intact in order to maintain nanoparticle size by reduced sintering. Four products are formed at 75 C: 1-butene, cis-2-butene, trans-2-butene, and n-butane. Ensembles of Pt nanoparticles with average diameters of 0.9 and 1.8 nm exhibit a ∼30% and ∼20% increase in the full hydrogenation products, respectively, as compared to Pt nanoparticles with average diameters of 4.6 and 6.7 nm. Methyl and methylene vibrational stretches of reaction intermediates observed under working conditions using SFG were used to correlate the stable reaction intermediates with the product distribution. Kinetic and SFG results correlate with previous DFT predictions for two parallel reaction pathways of 1,3-butadiene hydrogenation. Hydrogenation of 1,3-butadiene can initiate with H-addition at internal or terminal carbons leading to the formation of 1-buten-4-yl radical (metallocycle) and 2-buten-1-yl radical intermediates, respectively. Small (0.9 and 1.8 nm) nanoparticles exhibited vibrational resonances originating from both intermediates, while the large (4.6 and 6.7 nm) particles exhibited vibrational resonances originating predominately from the 2-buten-1-yl radical. This suggests each reaction pathway competes for partial and full hydrogenation and the nanoparticle size affects the kinetic preference for the two pathways. The reaction pathway through the metallocycle intermediate on the small nanoparticles is likely due to the presence of low-coordinated sites. © 2012 American Chemical Society.

  11. Surface reaction modification: The effect of structured overlayers of sulfur on the kinetics and mechanism of the decomposition of formic acid on Pt(111)

    Science.gov (United States)

    Abbas, N.; Madix, R. J.

    The reaction of formic acid (DCOOH) on Pt(111), Pt(111)-(2×2)S and Pt(111)-(√3×√3)R30°S surfaces was examined by temperature programmed reaction spectroscopy. On the clean surface formic acid decomposed to yield primarily carbon dioxide and the hydrogenic species (H 2, HD and D 2) at low coverages. Although the formation of water and carbon monoxide via a dehydration reaction was observed at these coverages, the yield of these products was small when compared to the other products of reaction. The evolution of CO 2 at low temperature was ascribed to the decomposition of the formate intermediate. In the presence of sulfur the amount of molecularly adsorbed formic acid decreased up to a factor of three on the (√3×√3)R30°S surface, and a decline in the reactivity of over an order of magnitude was also observed. The only products formed were the hydrogenic species and carbon dioxide. The absence of carbon monoxide indicated that the dehydration pathway was blocked by sulfur. In addition to the low temperature CO 2 peak a high temperature CO 2-producing path was also evident. It was inferred from both the stoichiometry and the coincident evolution of D 2 and CO 2 in the high temperature states that these products also evolved due to the decomposition of the formate intermediate. On increasing the sulfur coverage to one-third monolayer this intermediate was further stabilized, and a predominance of the decomposition via the high temperature path was observed. Stability of the formate intermediate was attributed to inhibition of the decomposition reaction by sulfur atoms. The activation energy for formate decomposition increased from 15 kcal/gmole on the clean surface to 24.3 kcal/gmol on the (√3×√3)R30°S overlayer.

  12. Effect of Pt:Sn atomic ratio on the preparation of PtSn/C electrocatalysts using electron beam irradiation

    International Nuclear Information System (INIS)

    Silva, Dionisio F.; Oliveira Neto, Almir; Pino, Eddy S.; Linardi, Marcelo; Spinace, Estevam V.

    2009-01-01

    PtSn/C electrocatalysts were prepared with Pt:Sn atomic ratios of 3:1, 1:1 and 1:3 in water/2-propanol using electron beam irradiation. The obtained materials were characterized by EDX, XRD and cyclic voltammetry. The ethanol electro-oxidation was studied by chronoamperometry. The XRD diffractograms of the PtSn/C electrocatalysts showed typical face-centered cubic (fcc) structure of platinum and the presence of a SnO 2 phase (cassiterite). The mean crystallite sizes of Pt fcc phase was in the range of 3.0-3.5 nm. The PtSn/C electrocatalysts were active for ethanol electro-oxidation at room temperature and the material prepared with Pt:Sn atomic ratio of 1:1 showed the best activity. (author)

  13. Effect of Pt:Sn atomic ratio on the preparation of PtSn/C electrocatalysts using electron beam irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Silva, Dionisio F.; Oliveira Neto, Almir; Pino, Eddy S.; Linardi, Marcelo; Spinace, Estevam V., E-mail: dfsilva@ipen.b, E-mail: espinace@ipen.b [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil)

    2009-07-01

    PtSn/C electrocatalysts were prepared with Pt:Sn atomic ratios of 3:1, 1:1 and 1:3 in water/2-propanol using electron beam irradiation. The obtained materials were characterized by EDX, XRD and cyclic voltammetry. The ethanol electro-oxidation was studied by chronoamperometry. The XRD diffractograms of the PtSn/C electrocatalysts showed typical face-centered cubic (fcc) structure of platinum and the presence of a SnO{sub 2} phase (cassiterite). The mean crystallite sizes of Pt fcc phase was in the range of 3.0-3.5 nm. The PtSn/C electrocatalysts were active for ethanol electro-oxidation at room temperature and the material prepared with Pt:Sn atomic ratio of 1:1 showed the best activity. (author)

  14. Reducing the ordering temperature of CoPt nanoparticles by B additive

    Energy Technology Data Exchange (ETDEWEB)

    Khemjeen, Yutthaya [Materials Science and Nanotechnology Program, Faculty of Science, Khon Kaen University, Khon Kaen 40002 (Thailand); Pinitsoontorn, Supree, E-mail: psupree@kku.ac.th; Chompoosor, Apiwat [Department of Physics, Faculty of Science, Khon Kaen University, Khon Kaen 40002 (Thailand); Integrated Nanotechnology Research Center, Khon Kaen University, Khon Kaen 40002 (Thailand); Nanotec-KKU Center of Excellence on Advanced Nanomaterials for Energy Production and Storage, Khon Kaen University, Khon Kaen 40002 (Thailand); Maensiri, Santi [School of Physics, Institute of Science, Suranaree University of Technology, Nakhon Ratchasima 30000 (Thailand)

    2014-08-07

    We reported the effect of boron addition on magnetic properties and structure of CoPt nanoparticles prepared by a polyol method. The magnetic property measurement showed that the CoPt-B sample exhibited a much larger coercivity compared to the sample without B additive at the same annealing temperature. Transmission electron microscopy and energy dispersive X-ray spectroscopy revealed that the average particle size was about 2 nm for the as-synthesized sample with the ratio of Co and Pt close to 1:1. After annealing, the particle sizes increased but the composition was maintained. The phase transformation of the nanoparticles versus temperature was investigated using a combination of X-ray diffraction and in-situ X-ray absorption analysis. It was shown that the phase transition temperature at which the nanoparticles change from the disordered A1 phase to the ordered L1{sub 0} phase occurs at temperature of 600 °C. We concluded that boron additives could reduce the ordering temperature of CoPt of about 100 °C.

  15. Composition, structure and properties of SiN x films fabricated by pulsed reactive closed-field unbalanced magnetron sputtering

    International Nuclear Information System (INIS)

    Yao, Zh.Q.; Yang, P.; Huang, N.; Sun, H.; Wan, G.J.; Leng, Y.X.; Chen, J.Y.

    2005-01-01

    Silicon nitride (SiN x ) thin films are of special interest in both scientific research and industrial applications due to their remarkable properties such as high thermal stability, chemical inertness, high hardness and good dielectric properties. In this work, SiN x films were fabricated by pulsed reactive closed-field unbalanced magnetron sputtering of high purity single crystal silicon targets in an Ar-N 2 mixture. The effect of N 2 partial pressure on the film composition, chemical bonding configurations, surface morphology, surface free energy, optical and mechanical properties were investigated. We showed that with increased N 2 partial pressure, the N to Si ratio (N/Si) in the film increased and N atoms are preferentially incorporated in the NSi 3 stoichiometric configuration. It leads the Si-N network a tendency to chemical order. Films deposited at a high N 2 fraction were consistently N-rich. The film surface transformed from a loose granular structure with microporosity to a homogeneous, continuous, smooth and dense structure. A progressive densification of the film microstructure occurs as the N 2 fraction is increased. The reduced surface roughness and the increased N incorporation in the film give rise to the increased contact angle with double-distilled water from 24 o to 49.6 o . To some extent, the SiN x films deposited by pulsed magnetron sputtering are hydrophilic in nature. The as-deposited SiN x films exhibit good optical transparency in the visible region and the optical band gap E opt can be varied from 1.68 eV for a-Si to 3.62 eV for SiN x films, depending on the synthesis parameters. With the increase of the N/Si atomic ratio, wear resistance of the SiN x films was improved, a consequence of increased hardness and elastic modulus. The SiN x films have lower friction coefficient and better wear resistance than 316L stainless steel under dry sliding friction, where the SiN x films experienced only fatigue wear

  16. Magnetic Properties and Microstructure of FeOx/Fe/FePt and FeOx/FePt Films

    Directory of Open Access Journals (Sweden)

    Jai-Lin Tsai

    2013-01-01

    Full Text Available The Fe(6 nm/FePt film with perpendicular magnetization was deposited on the glass substrate. To study the oxygen diffusion effect on the coupling of Fe/FePt bilayer, the plasma oxidation with 0.5~7% oxygen flow ratio was performed during sputtered part of Fe layer and formed the FeOx(3 nm/Fe(3 nm/FePt trilayer. Two-step magnetic hysteresis loops were found in trilayer with oxygen flow ratio above 1%. The magnetization in FeOx and Fe/FePt layers was decoupled. The moments in FeOx layer were first reversed and followed by coupled Fe/FePt bilayer. The trilayer was annealed again at 500°C and 800°C for 3 minutes. When the FeOx(3 nm/Fe(3 nm/FePt trilayer was annealed at 500°C, the layers structure was changed to FeOx(6 nm/FePt bilayer due to oxygen diffusion. The hard-magnetic FeOx(6 nm/FePt film was coupled with single switching field. The FeOx/(disordered FePt layer structure was observed with further annealing at 800°C and presented soft-magnetic loop. In summary, the coupling between soft-magnetic Fe, FeOx layer, and hard-magnetic L10 FePt layer can be controlled by the oxygen diffusion behavior, and the oxidation of Fe layer was tuned by the annealing temperature. The ordered L10 FePt layer was deteriorated by oxygen and became disordered FePt when the annealed temperature was up to 800°C.

  17. Synthesis and Characterization of Pt-loaded carbon nanostructures derived from polyaniline nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Gong Da; Kim, Pil; Lee, Youn Sik [Div. of Chemical Engineering, Nanomaterials Processing Research Center, Chonbuk NationalUniversity, Jeonju (Korea, Republic of)

    2017-03-15

    Proton exchange membrane fuel cells (PEMFC) are one of the most advanced fuel cells for future energy, owing to their high conversion efficiency, quick start-up, rapid response to variable loading, and relatively low operating temperature, compared with of her conventional energy conversion devices. PANTs were synthesized to have various aspect ratios and inner diameters. As the aniline concentration increased, the PANTs’ inner diameter greatly decreased, but their outer diameters only slightly increased, leading to a decrease in their aspect ratios. Carbonization of PANTs resulted in the formation of corresponding CNSs. Pt nanoparticles were successfully formed on the CNSs under N{sub 2} or N{sub 2}/NH{sub 3} flow. The Pt nanoparticles of the Pt- CNS-N{sub 2} /NH{sub 3} catalysts were smaller in size, less aggregated, and more uniformly dispersed than those of the Pt- CNS-N{sub 2} catalysts. The ECSA values of Pt-CNS-N{sub 2} /NH{sub 3} were larger than those of Pt-CNS-N{sub 2} and Pt/C. The half wave potentials of the Pt-CNS-N{sub 2} catalysts were lower than those of the Pt-CNS-N{sub 2} /NH{sub 3} , and close to those of the Pt/C. The Pt-CNS-N{sub 2} /NH{sub 3} catalysts exhibited better kinetic performance than the Pt-CNS -N{sub 2} catalysts and Pt/C.

  18. Structural and physical properties of new uranium and transition element ternary stannides (Fe, Co, Ni, Ru, Rh, Pd, Ir, Pt); Proprietes structurales et physiques de nouveaux stannures ternaires a base d'uranium et d'element de transition (Fe, Co, Ni, Rh, Pd, Ir, Pt)

    Energy Technology Data Exchange (ETDEWEB)

    Mirambet, F

    1993-12-15

    This work is dedicated to the study of ternary stannides based on uranium. The author reviews the structural, magnetic and electric properties of different families of stannides. The study of the U{sub 2}M{sub 2}Sn family where M stands for Fe, Co, Ni, Ru, Rh, Pd, Ir and Pt shows that the magnetic behaviour of uranium in these compounds is strongly influenced by the transition element M, which is explained by the hybridization force 5f(U) - nd(M) that depends on the number of electrons on the d shell of the M element. For instance, for the elements whose d shell is low filled (Fe, Ru), the U{sub 2}M{sub 2}Sn stannides show no magnetic order. On the other hand, when the number of d-electrons increases, a magnetic order appears progressively.

  19. The electrocatalytic properties of carbon supported PtRu/C nanoalloys in oxidation of small organic molecules: Comparison with Pt/C catalyst

    Directory of Open Access Journals (Sweden)

    Lović Jelena D.

    2012-01-01

    Full Text Available The electrocatalytic activity of carbon supported PtRu/C catalysts, with different composition, toward the electrooxidation of methanol, CO and formic acid were examined in acid and alkaline solution at ambient temperature using thin-film rotating disk electrode (RDE method and compared with activity of Pt/C. The catalysts were characterized by XRD, AFM and STM techniques. XRD pattern revealed that PtRu-1/C catalyst is consisted of two structures e.g. Pt-Ru-fcc and Ru-hcp (the solid solution of Ru in Pt and the small amount of Ru or solid solution of Pt in Ru, as opposed to PtRu-2/C catalyst which is consisted of one structure mostly, Pt-Ru-fcc. According to STM images, PtRu as well as Pt, particles size were between 2 and 6 nm, which is in a good agreement with the mean particles size determined by XRD. To establish the activity and stability of the catalysts potentiodynamic and quasi steady-state measurements were performed. It was found that the activity of Pt and PtRu for CO and methanol oxidation is a strong function of pH of solution. The kinetics are much higher in alkaline than in acid solution and the difference between Pt/C and PtRu/C is much less pronounced in alkaline media. Results presented in this work indicate that activity of PtRu catalysts depends on catalyst composition, e.g. on Pt/Ru atomic ratio, as well as on alloying degree of catalysts. Comparison of CO, methanol and formic acid oxidation on PtRu-2/C, PtRu-1/C and Pt/C catalysts revealed that PtRu-2/C is the most active one. It was shown that the PtRu-2/C catalyst, due to fact that it is consisted of only one phase, with high alloying degree, through the bifunctional mechanism improved by electronic effect, achieve the activity two times higher related to PtRu-1/C in the oxidation of all organic molecules investigated, and about three times higher compared to Pt/C in the oxidation of methanol and CO, and five times higher in formic acid oxidation.

  20. Preparation of Pt Au/C and Pt Au Bi/C electrocatalysts using electron beam irradiation for ethanol electro-oxidation in alkaline medium

    International Nuclear Information System (INIS)

    Silva, Dionisio F.; Geraldes, Adriana N.; Cardoso, Elisangela S.Z.; Gomes, Thiago B.; Linardi, Marcelo; Oliveira Neto, Almir; Spinace, Estevam V.

    2011-01-01

    Pt Au/C (50:50) and PtAuBi/C electrocatalysts with Pt:Au:Bi atomic ratios of 50:40:10, 50:30:20 and 50:10:40 were prepared in water/2-propanol using electron beam irradiation. The materials were characterized by X-ray diffraction (XRD) and the electro-oxidation of ethanol was studied by chronoamperometry at room temperature. The X-ray diffraction measurements for all electrocatalysts prepared showed four peaks, which are associated with the planes of the face-centered cubic (fcc) structure characteristic of Pt and Pt alloys. For PtAuBi/C it was also observed the presence of a mixture of BiPt alloys and bismuth phases. The average crystallite sizes for Pt/C, PtAu/C, PtAuBi/C (50:40:10), PtAuBi/C (50:30:20) and PtAuBi/C (50:10:40) were in the range of 2.0 - 4.0 nm. The activity of the electrocatalysts for ethanol oxidation in alkaline medium showed that PtAuBi/C (50:40:10) had a higher performance for ethanol oxidation compared to others electrocatalysts prepared. (author)

  1. Comparison of different promotion effect of PtRu/C and PtSn/C electrocatalysts for ethanol electro-oxidation

    Energy Technology Data Exchange (ETDEWEB)

    Li, Huanqiao; Cao, Lei [Direct Alcohol Fuel Cell Laboratory, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China); Graduate School of the Chinese Academy Sciences, Beijing 100039 (China); Sun, Gongquan; Jiang, Luhua [Direct Alcohol Fuel Cell Laboratory, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China); Xin, Qin [Direct Alcohol Fuel Cell Laboratory, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China); State Key Laboratory of Catalysis, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China)

    2007-08-01

    Well dispersed PtSn/C, PtRu/C and Pt/C electrocatalysts were synthesized by a modified polyol process and characterized by X-ray diffraction (XRD), transmission electron microscope (TEM) and inductively coupled plasma-atomic emission spectrometry techniques. XRD patterns show that Ru induces the contraction of Pt lattice parameter while Sn makes the Pt crystal lattice extended. Ethanol oxidation activities on the catalysts were studied via cyclic voltammetry (CV) and chronoamperometry (CA) methods at room temperature. It is found that the electrode potential plays an important role in the electrochemical behavior of ethanol oxidation on PtRu/C and PtSn/C catalysts. In the lower potential region, PtSn/C possesses higher performance for ethanol oxidation, while in the higher potential region PtRu/C is more active. The different promotion effects of PtSn/C and PtRu/C to ethanol oxidation can be explained by the structural effect and modified bi-functional mechanism in different potential region. Single cell test of a direct ethanol fuel cell (DEFC) was also carried out to elucidate the promotion effect of PtRu/C and PtSn/C catalysts on the ethanol oxidation at 90 C. (author)

  2. Comparison of different promotion effect of PtRu/C and PtSn/C electrocatalysts for ethanol electro-oxidation

    International Nuclear Information System (INIS)

    Li, Huanqiao; Sun, Gongquan; Cao, Lei; Jiang, Luhua; Xin, Qin

    2007-01-01

    Well dispersed PtSn/C, PtRu/C and Pt/C electrocatalysts were synthesized by a modified polyol process and characterized by X-ray diffraction (XRD), transmission electron microscope (TEM) and inductively coupled plasma-atomic emission spectrometry techniques. XRD patterns show that Ru induces the contraction of Pt lattice parameter while Sn makes the Pt crystal lattice extended. Ethanol oxidation activities on the catalysts were studied via cyclic voltammetry (CV) and chronoamperometry (CA) methods at room temperature. It is found that the electrode potential plays an important role in the electrochemical behavior of ethanol oxidation on PtRu/C and PtSn/C catalysts. In the lower potential region, PtSn/C possesses higher performance for ethanol oxidation, while in the higher potential region PtRu/C is more active. The different promotion effects of PtSn/C and PtRu/C to ethanol oxidation can be explained by the structural effect and modified bi-functional mechanism in different potential region. Single cell test of a direct ethanol fuel cell (DEFC) was also carried out to elucidate the promotion effect of PtRu/C and PtSn/C catalysts on the ethanol oxidation at 90 o C

  3. Preparation of Pt Au/C and Pt Au Bi/C electrocatalysts using electron beam irradiation for ethanol electro-oxidation in alkaline medium

    Energy Technology Data Exchange (ETDEWEB)

    Silva, Dionisio F.; Geraldes, Adriana N.; Cardoso, Elisangela S.Z.; Gomes, Thiago B.; Linardi, Marcelo; Oliveira Neto, Almir; Spinace, Estevam V., E-mail: dfsilva@ipen.b [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil)

    2011-07-01

    Pt Au/C (50:50) and PtAuBi/C electrocatalysts with Pt:Au:Bi atomic ratios of 50:40:10, 50:30:20 and 50:10:40 were prepared in water/2-propanol using electron beam irradiation. The materials were characterized by X-ray diffraction (XRD) and the electro-oxidation of ethanol was studied by chronoamperometry at room temperature. The X-ray diffraction measurements for all electrocatalysts prepared showed four peaks, which are associated with the planes of the face-centered cubic (fcc) structure characteristic of Pt and Pt alloys. For PtAuBi/C it was also observed the presence of a mixture of BiPt alloys and bismuth phases. The average crystallite sizes for Pt/C, PtAu/C, PtAuBi/C (50:40:10), PtAuBi/C (50:30:20) and PtAuBi/C (50:10:40) were in the range of 2.0 - 4.0 nm. The activity of the electrocatalysts for ethanol oxidation in alkaline medium showed that PtAuBi/C (50:40:10) had a higher performance for ethanol oxidation compared to others electrocatalysts prepared. (author)

  4. Dehydrogenation of benzene on Pt(111) surface

    Science.gov (United States)

    Gao, W.; Zheng, W. T.; Jiang, Q.

    2008-10-01

    The dehydrogenation of benzene on Pt(111) surface is studied by ab initio density functional theory. The minimum energy pathways for benzene dehydrogenation are found with the nudge elastic band method including several factors of the associated barriers, reactive energies, intermediates, and transient states. The results show that there are two possible parallel minimum energy pathways on the Pt(111) surface. Moreover, the tilting angle of the H atom in benzene can be taken as an index for the actual barrier of dehydrogenation. In addition, the properties of dehydrogenation radicals on the Pt(111) surface are explored through their adsorption energy, adsorption geometry, and electronic structure on the surface. The vibrational frequencies of the dehydrogenation radicals derived from the calculations are in agreement with literature data.

  5. Preparation of PtRu/Carbon hybrid materials by hydrothermal carbonization: A study of the Pt:Ru atomic ratio

    International Nuclear Information System (INIS)

    Tusi, Marcelo Marques; Brandalise, Michele; Correa, Olandir Vercino; Oliveira Neto, Almir; Linardi, Marcelo; Spinace, Estevam Vitorio; Villalba, Juan Carlo

    2009-01-01

    PtRu/Carbon materials with different Pt:Ru atomic ratios (30:70, 50:50, 60:40, 80:20 and 90:10) and 5 wt% of nominal metal load were prepared by hydrothermal carbonization using H 2 PtCl 6.6 H 2 O and RuCl 3. xH 2 O as metals sources and catalysts of the carbonization process and starch as carbon source and reducing agent. The obtained materials were treated at 900 deg C under argon and characterized by EDX, XRD and cyclic voltammetry. The electro-oxidation of methanol was studied by cyclic voltammetry and chronoamperometry using thin porous coating technique. The PtRu/Carbon materials showed Pt:Ru atomic ratios obtained by EDX similar to the nominal ones. XRD analysis showed that Pt face-cubic centered (FCC) and Ru hexagonal close-packed (HCP) phases coexist in the obtained materials. The average crystallite sizes of the Pt (FCC) phase were in the range of 8-12 nm. The material prepared with Pt:Ru atomic ratio of 50:50 showed the best performance for methanol electro-oxidation. (author)

  6. SiO2-supported Pt particles studied by electron microscopy

    International Nuclear Information System (INIS)

    Wang, D.; Penner, S.; Su, D.S.; Rupprechter, G.; Hayek, K.; Schloegl, R.

    2003-01-01

    Regularly grown Pt particles supported by amorphous SiO 2 were heated in hydrogen at 873 K after an oxidising treatment. The morphological and structural changes were studied by electron microscopy. Platinum silicides Pt 3 Si with L1 2 (Cu 3 Au) structure, monoclinic Pt 3 Si and tetragonal Pt 12 Si 5 were identified after the treatment. The mechanisms of coalescence of the particles and the formation of irregular large particles are suggested. A topotactic structural transformation accompanied with the migration of Si from the substrate to the particles are suggested to take place during Pt 3 Si formation

  7. Validation of a Quasi-Linear Numerical Model of a Pitching Wave Energy Converter in Close Proximity to a Fixed Structure

    DEFF Research Database (Denmark)

    López, Maria del Pilar Heras; Thomas, Sarah; Kramer, Morten Mejlhede

    2017-01-01

    attempting to validate a numerical model of a WEC using a variety of scaled physical tests in a waveflume. The technology used as a case study in this paper is a pitching WEC in close proximity to a fixed structure. Challenges are presented relating to waveflume effects and obtaining accurate physical input...

  8. Preparation of PtRu/C and PtSn/C electrocatalysts using electron beam irradiation for direct and ethanol fuel cell

    International Nuclear Information System (INIS)

    Silva, Dionisio Furtunato da

    2009-01-01

    PtRu/C and PtSn/C electrocatalysts were prepared using electron beam irradiation. The metal ions were dissolved in water/2-propanol and water/ethylene glycol solutions and the carbon support was added. The resulting mixtures were irradiated under stirring. The effect of water/ethylene glycol and water/2-propanol (v/v) ratio, Pt:Ru and Pt:Sn atomic ratios, the irradiation time and dose rate were studied. The obtained materials were characterized by Energy dispersive analysis of X-rays (EDX), X-ray diffraction (XRD), cyclic voltammetry (CV) and Moessbauer spectroscopy. The electro-oxidation of methanol and ethanol were studied by cyclic voltammetry and chronoamperometry using the thin porous coating technique. The electrocatalysts were also tested on the Direct Methanol and Ethanol Fuel Cells. PtRu/C electrocatalysts prepared in water/ethylene glycol showed Pt:Ru atomic ratios different from the nominal ones. The results suggested that part of the Ru(III) ions were not reduced. The obtained materials showed the face-centered cubic (fcc) structure of Pt and Pt alloys with crystallite sizes of 2-3 nm. PtRu/C electrocatalysts prepared in water/2-propanol showed Pt:Ru atomic ratios similar to the nominal ones. The obtained materials also showed the fcc structure of platinum and platinum alloys with crystallite sizes of 3-4 nm. PtSn/C electrocatalysts prepared in water/ethylene glycol and water/2-propanol showed Pt:Sn atomic ratios similar to the nominal ones. The obtained materials showed the platinum (fcc) phase with crystallite sizes in the range of 2 - 4 nm and a SnO 2 (cassiterite) phase. The obtained PtRu/C and PtSn/C electrocatalysts showed similar or superior performance for methanol and ethanol electro-oxidation compared to commercial PtRu/C (E-TEK) and PtSn/C (BASF) electrocatalysts. (author)

  9. Mono(p-tolyl)platinum(II) and bis(p-tolyl)platinum(II) complexes of diethylsulfide as reagents for organoplatinum synthesis. Structures of [Pt(p-Tol)2(µ-SEt2)]2 and PtCl(p-Tol)(bpy) (bpy = 2,2'-bipyridine)

    NARCIS (Netherlands)

    Koten, G. van; Casado Lacabra, M.A.; Canty, A.J.; Lutz, M.H.; Patel, J.; Spek, A.L.; Sun, H.

    2001-01-01

    The complex trans-PtCl(p-Tol)(SEt{2}){2} is obtained from the reaction of [Pt(p-Tol){2}(SEt{2})]{2} with PtCl{2}(SEt{2}){2} and SEt{2} in mole ratio 1:2:2. The mono(p-tolyl)platinum(II) and bis(p-tolyl)platinum(II) complexes of diethylsulfide react with 2, 2'-bipyridine to form the complexes

  10. Crystal structure of the new ternary indide CePt{sub 2}In{sub 2} and the isostructural compounds RPt{sub 2}In{sub 2} (R=La,Pr,Nd)

    Energy Technology Data Exchange (ETDEWEB)

    Zaremba, V.; Galadzhun, Y.; Kalychak, Y. [I. Franko Lviv State Univ. (Ukraine). Inorganic Chem. Dept.; Kaczorowski, D.; Stepien-Damm, J. [W. Trzebiatowski Institute of Low Temperature and Structural Research, Polish Academy of Sciences, Okolna Str. 2, 50-950, Wroclaw (Poland)

    2000-01-10

    The title compounds have been synthesized by arc melting of the elemental components and subsequent annealing at 870 K. The crystal structure of CePt{sub 2}In{sub 2} was determined from single-crystal X-ray data (R=0.0437 for 1439 F values and 62 variables). It represents a new structure type of intermetallic compounds: P2{sub 1}/m, mP20, a=10.189(6), b=4.477(4), c=10.226(6) A, {beta}=117.00(5) , V=416.1(1) A{sup 3}, Z=4. Isostructural compounds have been found also for La,Pr, and Nd. (orig.)

  11. Atomistic nucleation sites of Pt nanoparticles on N-doped carbon nanotubes.

    Science.gov (United States)

    Sun, Chia-Liang; Pao, Chih-Wen; Tsai, Huang-Ming; Chiou, Jau-Wern; Ray, Sekhar C; Wang, Houng-Wei; Hayashi, Michitoshi; Chen, Li-Chyong; Lin, Hong-Ji; Lee, Jyh-Fu; Chang, Li; Tsai, Min-Hsiung; Chen, Kuei-Hsien; Pong, Way-Faung

    2013-08-07

    The atomistic nucleation sites of Pt nanoparticles (Pt NPs) on N-doped carbon nanotubes (N-CNTs) were investigated using C and N K-edge and Pt L3-edge X-ray absorption near-edge structure (XANES)/extended X-ray absorption fine structure (EXAFS) spectroscopy. Transmission electron microscopy and XANES/EXAFS results revealed that the self-organized Pt NPs on N-CNTs are uniformly distributed because of the relatively high binding energies of the adsorbed Pt atoms at the imperfect sites. During the atomistic nucleation process of Pt NPs on N-CNTs, stable Pt-C and Pt-N bonds are presumably formed, and charge transfer occurs at the surface/interface of the N-CNTs. The findings in this study were consistent with density functional theory calculations performed using cluster models for the undoped, substitutional-N-doped and pyridine-like-N-doped CNTs.

  12. Shape-dependent surface magnetism of Co-Pt and Fe-Pt nanoparticles from first principles

    Science.gov (United States)

    Liu, Zhenyu; Wang, Guofeng

    2017-12-01

    In this paper, we have performed the first-principles density functional theory calculations to predict the magnetic properties of the CoPt and FePt nanoparticles in cuboctahedral, decahedral, and icosahedral shapes. The modeled alloy nanoparticles have a diameter of 1.1 nm and consist of 31 5 d Pt atoms and 24 3 d Co (or Fe) atoms. For both CoPt and FePt, we found that the decahedral nanoparticles had appreciably lower surface magnetic moments than the cuboctahedral and icosahedral nanoparticles. Our analysis indicated that this reduction in the surface magnetism was related to a large contraction of atomic spacing and high local Co (or Fe) concentration in the surface of the decahedral nanoparticles. More interestingly, we predicted that the CoPt and FePt cuboctahedral nanoparticles exhibited dramatically different surface spin structures when noncollinear magnetism was taken into account. Our calculation results revealed that surface anisotropy energy decided the fashion of surface spin canting in the CoPt and FePt nanoparticles, confirming previous predictions from atomistic Monte Carlo simulations.

  13. Electrocatalytic activity of Pt and PtCo deposited on Ebonex by BH reduction

    International Nuclear Information System (INIS)

    Slavcheva, E.; Nikolova, V.; Petkova, T.; Lefterova, E.; Dragieva, I.; Vitanov, T.; Budevski, E.

    2005-01-01

    The method of borohydride reduction (BH) has been applied to synthesize Pt and PtCo nanoparticles supported on Magneli phase titanium oxides, using Pt and Co ethylenediamine complexes as metal precursors. The phase composition of the synthesized catalysts, their morphology and surface structure were studied by physical methods for bulk and surface analysis, such as electron microprobe analysis (EMPA), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and BET technique. The catalytic activity towards oxygen evolution reaction in alkaline aqueous solution was investigated using the common electrochemical techniques. It was found that PtCo/Ebonex facilitates essentially the oxygen evolution which starts at lower overpotentials and proceeds with higher rate compared to both the supported Pt and unsupported PtCo catalysts. The observed effect is prescribed to metal-metal and metal-support interactions. The Ebonex possesses a good electrical conductivity and corrosion resistance at high anodic potentials and despite its low surface area is considered as a potential catalyst carrier for the oxygen evolution reaction

  14. Strongly bound excitons in monolayer PtS2 and PtSe2

    KAUST Repository

    Sajjad, M.

    2018-01-22

    Based on first-principles calculations, the structural, electronic, and optical properties of monolayers PtS2 and PtSe2 are investigated. The bond stiffnesses and elastic moduli are determined by means of the spring constants and strain-energy relations, respectively. Dynamic stability is confirmed by calculating the phonon spectra, which shows excellent agreement with experimental reports for the frequencies of the Raman-active modes. The Heyd-Scuseria-Ernzerhof functional results in electronic bandgaps of 2.66 eV for monolayer PtS2 and 1.74 eV for monolayer PtSe2. G0W0 calculations combined with the Bethe-Salpeter equation are used to predict the optical spectra and exciton binding energies (0.78 eV for monolayer PtS2 and 0.60 eV for monolayer PtSe2). It turns out that the excitons are strongly bound and therefore very stable against external perturbations.

  15. Carbon-coated NiPt, CoPt nanoalloys: size control and magnetic properties

    Energy Technology Data Exchange (ETDEWEB)

    El-Gendy, A.A. [Kirchhoff Institute for Physics, University of Heidelberg, D-69120 Heidelberg (Germany); Leibniz Institute for Solid State and Materials Research (IFW) Dresden (Germany); Hampel, S.; Leonhardt, A.; Khavrus, V.; Buechner, B. [Leibniz Institute for Solid State and Materials Research (IFW) Dresden (Germany); Klingeler, R. [Kirchhoff Institute for Physics, University of Heidelberg, D-69120 Heidelberg (Germany)

    2011-07-01

    Controlled synthesis of magnetic nanoparticles with well-defined size and composition is always a challenge in material-based nanoscience. Here, we apply the high pressure chemical vapour deposition technique (HPCVD) to obtain carbon-shielded magnetic alloy nanoparticles under control of the particle size. Carbon encapsulated NiPt, CoPt (NiPt rate at C, CoPt rate at C) nanoalloys were synthesized by means of HPCVD starting from sublimating appropriate metal-organic precursors. Structural characterization by means of high resolution transmission electron microscopy, energy dispersive X-ray analysis and X-ray diffraction indicated the formation of coated bimetallic Ni{sub x}Pt{sub 100-x} and CoxPt{sub 100-x} nanoparticles. Adjusting the sublimation temperature of the different precursors allowed tuning the core sizes with small size distribution. In addition, detailed studies of the magnetic properties are presented. AC magnetic heating studies imply the potential of the coated nanoalloys for hyperthermia therapy.

  16. Structural properties and stability of the bcc and omega phases in the Zr-Nb system. Pt. II. Composition dependence of the lattice parameters

    International Nuclear Information System (INIS)

    Grad, G.B.; Guillermet, A.F.; Pieres, J.J.; Cuello, G.J.; Consejo Nacional de Investigaciones Cientificas y Tecnicas, Buenos Aires; Universidad Nacional del Comahue

    1996-01-01

    For pt.I see Guillermet, A.F., J. Nucl. Mater., vol.218, p.236-46, 1995. This paper deals with the composition dependence of the lattice parameters of the bcc and omega phases of the Zr-Nb system. The experimental part of the work comprises neutron scattering experiments on a Zr-10 at.% Nb alloy in the as-quenched state and after successive aging treatments at 773 K. This new information is combined with an extensive review of the available data, and a detailed analysis is performed of the effects of composition and heat-treatment upon the lattice parameters a Ω and c Ω of the omega phase and the lattice-parameter relations between bcc and omega. A striking behaviour is detected in the variation of a Ω with composition in low-Nb alloys. (orig.)

  17. Pt(IV) complexes as prodrugs for cisplatin.

    Science.gov (United States)

    Shi, Yi; Liu, Shu-An; Kerwood, Deborah J; Goodisman, Jerry; Dabrowiak, James C

    2012-02-01

    The antitumor effects of platinum(IV) complexes, considered prodrugs for cisplatin, are believed to be due to biological reduction of Pt(IV) to Pt(II), with the reduction products binding to DNA and other cellular targets. In this work we used pBR322 DNA to capture the products of reduction of oxoplatin, c,t,c-[PtCl(2)(OH)(2)(NH(3))(2)], 3, and a carboxylate-modified analog, c,t,c-[PtCl(2)(OH)(O(2)CCH(2)CH(2)CO(2)H)(NH(3))(2)], 4, by ascorbic acid (AsA) or glutathione (GSH). Since carbonate plays a significant role in the speciation of platinum complexes in solution, we also investigated the effects of carbonate on the reduction/DNA-binding process. In pH 7.4 buffer in the absence of carbonate, both 3 and 4 are reduced by AsA to cisplatin (confirmed using ((195))Pt NMR), which binds to and unwinds closed circular DNA in a manner consistent with the formation of the well-known 1, 2 intrastrand DNA crosslink. However, when GSH is used as the reducing agent for 3 and 4, ((195))Pt NMR shows that cisplatin is not produced in the reaction medium. Although the Pt(II) products bind to closed circular DNA, their effect on the mobility of Form I DNA is different from that produced by cisplatin. When physiological carbonate is present in the reduction medium, ((13))C NMR shows that Pt(II) carbonato complexes form which block or impede platinum binding to DNA. The results of the study vis-à-vis the ability of the Pt(IV) complexes to act as prodrugs for cisplatin are discussed. Copyright © 2011 Elsevier Inc. All rights reserved.

  18. Facile synthesis of porous Pt botryoidal nanowires and their electrochemical properties

    International Nuclear Information System (INIS)

    Huang, Zhongyuan; Zhou, Haihui; Chen, Zhongxue; Zeng, Fanyan; Chen, Liang; Luo, Wucheng; Kuang, Yafei

    2014-01-01

    Highlights: • Porous Pt nanowires were synthesized by combination of soft and hard templets. • Te nanowires were used as the hard templet and reductant. • The Pt nanowires are composed of many small Pt nanoparticles and pores. • The Pt nanowires have very good electrochemical activity and stability. - Abstract: Long and porous Pt botryoidal nanowires (Pt BNWs) were facilely synthesized by combination of soft and hard templates accompanying chemical reduction of ascorbic acid and replacement of Te nanowires. This bis-template and bis-reductant method is proved to be an effective way to prepare nanowires with special structure. The scanning electron microscopy and transmission electron microscopy images show the as-prepared product is botryoidal nanowires with diameter of 20–30 nm and length of several micrometers. High resolution transmission electron microscopy shows the Pt botryoidal nanowires are composed of many small Pt nanoparticles (about 3 nm in diameter), which is just like that many grapes grow on the branch. These small nanoparticles make Pt nanowires have botryoidal and porous structure. Moreover, the diameter of Pt BNWs can be adjusted by changing the dosage of Pt precursor, polyvinylpyrrolidone and L-ascorbic acid. The electrocatalytic performance of Pt botryoidal nanowires is studied, which shows that the as-prepared Pt botryoidal nanowires have not only high activity but also good stability for oxygen reduction reaction

  19. Observational properties of models of semidetached close binaries. Pt. 2

    International Nuclear Information System (INIS)

    Giannone, P.; Giannuzzi, M.A.; Pucillo, M.

    1975-01-01

    Binaries of Cases A and B with intermediate and small masses have been studied. Synthetic light curves are shown to be affected mainly by the assumption concerning the shape of the components. The comparison between synthetic light curves and observed data can give further information on the reliability of the hypotheses assumed in the computations of binary star evolution. The calculated properties lead to useful indications about the evolutionary stages of observed binaries. The detection of systems evolving according to Case A appears to be favoured in comparison with that of systems of Case B. Systems with undersize subgiants result comparatively difficult to observe. (orig./BJ) [de

  20. Introducing close-range photogrammetry for characterizing forest understory plant diversity and surface fuel structure at fine scales

    Science.gov (United States)

    Benjamin C. Bright; E. Louise Loudermilk; Scott M. Pokswinski; Andrew T. Hudak; Joseph J. O' Brien

    2016-01-01

    Methods characterizing fine-scale fuels and plant diversity can advance understanding of plant-fire interactions across scales and help in efforts to monitor important ecosystems such as longleaf pine (Pinus palustris Mill.) forests of the southeastern United States. Here, we evaluate the utility of close-range photogrammetry for measuring fuels and plant...

  1. Catalyst Architecture for Stable Single Atom Dispersion Enables Site-Specific Spectroscopic and Reactivity Measurements of CO Adsorbed to Pt Atoms, Oxidized Pt Clusters, and Metallic Pt Clusters on TiO2.

    Science.gov (United States)

    DeRita, Leo; Dai, Sheng; Lopez-Zepeda, Kimberly; Pham, Nicholas; Graham, George W; Pan, Xiaoqing; Christopher, Phillip

    2017-10-11

    Oxide-supported precious metal nanoparticles are widely used industrial catalysts. Due to expense and rarity, developing synthetic protocols that reduce precious metal nanoparticle size and stabilize dispersed species is essential. Supported atomically dispersed, single precious metal atoms represent the most efficient metal utilization geometry, although debate regarding the catalytic activity of supported single precious atom species has arisen from difficulty in synthesizing homogeneous and stable single atom dispersions, and a lack of site-specific characterization approaches. We propose a catalyst architecture and characterization approach to overcome these limitations, by depositing ∼1 precious metal atom per support particle and characterizing structures by correlating scanning transmission electron microscopy imaging and CO probe molecule infrared spectroscopy. This is demonstrated for Pt supported on anatase TiO 2 . In these structures, isolated Pt atoms, Pt iso , remain stable through various conditions, and spectroscopic evidence suggests Pt iso species exist in homogeneous local environments. Comparing Pt iso to ∼1 nm preoxidized (Pt ox ) and prereduced (Pt metal ) Pt clusters on TiO 2 , we identify unique spectroscopic signatures of CO bound to each site and find CO adsorption energy is ordered: Pt iso ≪ Pt metal atoms bonded to TiO 2 and that Pt iso exhibits optimal reactivity because every atom is exposed for catalysis and forms an interfacial site with TiO 2 . This approach should be generally useful for studying the behavior of supported precious metal atoms.

  2. EXAFS Characterization of Dendrimer-Derived Pt/γ-Al2O3

    International Nuclear Information System (INIS)

    Siani, A.; Alexeev, O. S.; Williams, C. T.; Ploehn, H. J.; Amiridis, M. D.

    2007-01-01

    The various steps involved in the preparation of a Pt/γ-Al2O3 material using hydroxyl-terminated generation four (G4OH) PAMAM dendrimers as templates were monitored by EXAFS. The results indicate that Cl ligands in the Pt precursors (H2PtCl6 and K2PtCl4) were partially replaced by aquo ligands upon hydrolysis to form [PtCl3(H2O)3]+ and [PtCl2(H2O)2] species. After interaction of such species with G4OH, Cl ligands from the first coordination shell of Pt were further replaced by nitrogen atoms from the dendrimer interior, indicating the complexation of Pt with the dendrimer. This process was accompanied by a transfer of the electron density from the dendrimer to Pt, indicating that the former plays the role of a ligand. Following treatment of the H2PtCl6/G4OH and K2PtCl4/G4OH composites with NaBH4, no substantial changes were detecteded in the electronic or coordination environment of Pt, and no formation of metal nanoparticles was observed. However, when the reduction treatment was performed with H2, the formation of extremely small Pt clusters incorporating no more than 4 Pt atoms was observed. These Pt species remained strongly bonded to the dendrimer and their nuclearity depends on the length of the H2 treatment. Formation of Pt nanoparticles with an average diameter of approximately 10 A was finally observed after the deposition of H2PtCl6/G4OH on γ-Al2O3 and drying, suggesting that their formation may be related to the collapse of the dendrimer structure. The Pt nanoparticles formed appear to have high mobility, since subsequent thermal treatment in O2/H2 led to further sintering

  3. Magnetic and electronic properties of a Pt-Co bilayer on Pt(1 1 1)

    International Nuclear Information System (INIS)

    Giovanelli, L.; De Santis, M.; Panaccione, G.; Sirotti, F.; Torelli, P.; Vobornik, I.; Larcipretea, R.; Egger, S.; Saint-Lager, M.C.; Dolle, P.; Rossi, G.

    2005-01-01

    Atomically thin Co/Pt(1 1 1) interfaces grown at different temperatures are characterized by very different values of perpendicular magnetic anisotropy as a consequence of the local structure and coordination. Here we present a study of the structural, magnetic and electronic properties for interfaces grown in UHV onto clean Pt(1 1 1) in different kinetic conditions. When one monolayer of Co is deposited at 540 K a thermally activated exchange reaction leads to a sharp Pt-Co double interface giving rise to a strong increase of the magneto-optical response with respect to the Co monolayer deposited at room temperature. The results are interpreted in terms of atomic hybridization as detected by valence band photoelectron spectroscopy

  4. Towards the elucidation of the high oxygen electroreduction activity of PtxY: surface science and electrochemical studies of Y/Pt(111)

    DEFF Research Database (Denmark)

    Johansson, Tobias Peter; Ulrikkeholm, Elisabeth Therese; Hernandez-Fernandez, Patricia

    2014-01-01

    programmed desorption of CO. When depositing a large amount of yttrium at 1173 K, a (1.88 × 1.88)R30° structure relative to Pt(111) was observed by low energy electron diffraction. Such an electron diffraction pattern could correspond to a (2 × 2)R30° structure under 6% compressive strain. This structure...... is in agreement with the structure of the vacancies in a Pt Kagomé layer in Pt5Y rotated 30° with respect to the bulk of the Pt(111). The Pt overlayer is relatively stable in air; however, after performing oxygen reduction activity measurements in an electrochemical cell, a thick Pt overlayer was measured...

  5. CoPt nanoparticles by chemical reduction

    International Nuclear Information System (INIS)

    Wang, H.L.; Zhang, Y.; Huang, Y.; Zeng, Q.; Hadjipanayis, G.C.

    2004-01-01

    CoPt nanoparticles with a size of 1-2 nm were synthesized by chemical reduction using the solvents of water and alcohol. A phase transformation from the originally disordered face centered cubic (FCC) structure to an ordered face centered tetragonal L1 0 structure occurred after annealing, which results in the coercivity up to 9 kOe because of the high anisotropy of the tetragonal phase (K∼2-4x10 7 erg/cm 3 ) (Philos. Mag. 13 (1966) 567; IEEE Trans. Magn. 20 (1984) 1625). HREM images of as-grow Co 48 Pt 52 shows the single-crystalline FCC structure with the shape of columnar and spherical

  6. Bud structure, position and fate generate various branching patterns along shoots of closely related Rosaceae species: a review

    Directory of Open Access Journals (Sweden)

    Evelyne eCostes

    2014-12-01

    Full Text Available Branching in temperate plants is closely linked to bud fates, either floral or vegetative. Here, we review how the fate of meristematic tissues contained in buds and their position along a shoot imprint specific branching patterns which differ among species. Through examples chosen in closely related species in different genera of the Rosaceae family, a panorama of patterns is apparent. Patterns depend on whether vegetative and floral buds are borne individually or together in mixed buds, develop as the shoot grows or after a rest period, and are located in axillary or terminal positions along the parent shoot. The resulting branching patterns are conserved among varieties in a given species but progressively change with the parent shoot length during plant ontogeny. They can also be modulated by agronomic and environmental conditions. The existence of various organizations in the topology and fate of meristematic tissues and their appendages in closely related species questions the between-species conservation of physiological and molecular mechanisms leading to bud outgrowth vs quiescence and to floral induction vs vegetative development.

  7. Bud structure, position and fate generate various branching patterns along shoots of closely related Rosaceae species: a review.

    Science.gov (United States)

    Costes, Evelyne; Crespel, Laurent; Denoyes, Béatrice; Morel, Philippe; Demene, Marie-Noëlle; Lauri, Pierre-Eric; Wenden, Bénédicte

    2014-01-01

    Branching in temperate plants is closely linked to bud fates, either floral or vegetative. Here, we review how the fate of meristematic tissues contained in buds and their position along a shoot imprint specific branching patterns which differ among species. Through examples chosen in closely related species in different genera of the Rosaceae family, a panorama of patterns is apparent. Patterns depend on whether vegetative and floral buds are borne individually or together in mixed buds, develop as the shoot grows or after a rest period, and are located in axillary or terminal positions along the parent shoot. The resulting branching patterns are conserved among varieties in a given species but progressively change with the parent shoot length during plant ontogeny. They can also be modulated by agronomic and environmental conditions. The existence of various organizations in the topology and fate of meristematic tissues and their appendages in closely related species questions the between-species conservation of physiological and molecular mechanisms leading to bud outgrowth vs. quiescence and to floral induction vs. vegetative development.

  8. Design criteria for stable Pt/C fuel cell catalysts

    Directory of Open Access Journals (Sweden)

    Josef C. Meier

    2014-01-01

    Full Text Available Platinum and Pt alloy nanoparticles supported on carbon are the state of the art electrocatalysts in proton exchange membrane fuel cells. To develop a better understanding on how material design can influence the degradation processes on the nanoscale, three specific Pt/C catalysts with different structural characteristics were investigated in depth: a conventional Pt/Vulcan catalyst with a particle size of 3–4 nm and two Pt@HGS catalysts with different particle size, 1–2 nm and 3–4 nm. Specifically, Pt@HGS corresponds to platinum nanoparticles incorporated and confined within the pore structure of the nanostructured carbon support, i.e., hollow graphitic spheres (HGS. All three materials are characterized by the same platinum loading, so that the differences in their performance can be correlated to the structural characteristics of each material. The comparison of the activity and stability behavior of the three catalysts, as obtained from thin film rotating disk electrode measurements and identical location electron microscopy, is also extended to commercial materials and used as a basis for a discussion of general fuel cell catalyst design principles. Namely, the effects of particle size, inter-particle distance, certain support characteristics and thermal treatment on the catalyst performance and in particular the catalyst stability are evaluated. Based on our results, a set of design criteria for more stable and active Pt/C and Pt-alloy/C materials is suggested.

  9. Ethanol electrooxidation on novel carbon supported Pt/SnOx/C catalysts with varied Pt:Sn ratio

    International Nuclear Information System (INIS)

    Jiang, L.; Colmenares, L.; Jusys, Z.; Sun, G.Q.; Behm, R.J.

    2007-01-01

    Novel carbon supported Pt/SnO x /C catalysts with Pt:Sn atomic ratios of 5:5, 6:4, 7:3 and 8:2 were prepared by a modified polyol method and characterized with respect to their structural properties (X-ray diffraction (XRD) and transmission electron microscopy (TEM)), chemical composition (XPS), their electrochemical properties (base voltammetry, CO ad stripping) and their electrocatalytic activity and selectivity for ethanol oxidation (ethanol oxidation reaction (EOR)). The data show that the Pt/SnO x /C catalysts are composed of Pt and tin oxide nanoparticles with an average Pt particle diameter of about 2 nm. The steady-state activity of the Pt/SnO x /C catalysts towards the EOR decreases with tin content at room temperature, but increases at 80 deg. C. On all Pt/SnO x /C catalysts, acetic acid and acetaldehyde represent dominant products, CO 2 formation contributes 1-3% for both potentiostatic and potentiodynamic reaction conditions. With increasing potential, the acetaldehyde yield decreases and the acetic acid yield increases. The apparent activation energies of the EOR increase with tin content (19-29 kJ mol -1 ), but are lower than on Pt/C (32 kJ mol -1 ). The somewhat better performance of the Pt/SnO x /C catalysts compared to alloyed PtSn x /C catalysts is attributed to the presence of both sufficiently large Pt ensembles for ethanol dehydrogenation and C-C bond splitting and of tin oxide for OH generation. Fuel cell measurements performed for comparison largely confirm the results obtained in model studies

  10. Ethanol tolerant Pt-alloy cathodes for DEFC applications

    Energy Technology Data Exchange (ETDEWEB)

    Rodriguez Valera, F.J. [CINVESTAV Unidad Saltillo, Coahuila (Mexico). Grupo de Recursos Minerales y Energeticos; Savadogo, O. [Ecole Polytechnique de Montreal, Montreal, PQ (Canada). Laboratoire de nouveaux materiaux pour l' energie et l' electrochimie

    2008-07-01

    Direct ethanol fuel cells (DEFCs) based on Ru/C cathodes have interesting current density versus cell voltage behaviour. In particular, the selectivity towards the oxygen reduction reaction (ORR) in acid medium in the presence of ethanol was improved when this cathode material was used. This study quantified the degree of tolerance to ethanol and the electrocatalytic activity for the ORR. It compared the specific activity towards the ORR for Pt1Co1/C and Pt3Cr1/C. The study showed that these cathodes have a high tolerance to this alcohol and demonstrated the good performance of this type of Pt-alloy in a DEFC as oxygen reduction cathodes. The performance of the Pt1Co1/C alloy was shown to be better than the Pt3Cr1/C, even when the former had a lower Pt content. The enhanced catalytic behaviour of the PtCo/C alloy can be attributed to the higher degree of allying or a smaller mean particle size and a larger surface area. Polarization measurements with relatively high ethanol concentrations confirmed the good catalytic behaviour of the PtCo/C alloy as cathode in a DEFC operating at 90 degrees C. Current work is focusing on the variation of Co content in the alloy structure and the analysis of this change in terms of ORR activity, tolerance to ethanol and electrochemical behaviour in a DEFC. 10 refs., 5 figs.

  11. Critical assessment of Pt surface energy - An atomistic study

    Science.gov (United States)

    Kim, Jin-Soo; Seol, Donghyuk; Lee, Byeong-Joo

    2018-04-01

    Despite the fact that surface energy is a fundamental quantity in understanding surface structure of nanoparticle, the results of experimental measurements and theoretical calculations for the surface energy of pure Pt show a wide range of scattering. It is necessary to further ensure the surface energy of Pt to find the equilibrium shape and atomic configuration in Pt bimetallic nanoparticles accurately. In this article, we critically assess and optimize the Pt surface energy using a semi-empirical atomistic approach based on the second nearest-neighbor modified embedded-atom method interatomic potential. That is, the interatomic potential of pure Pt was adjusted in a way that the surface segregation tendency in a wide range of Pt binary alloys is reproduced in accordance with experimental information. The final optimized Pt surface energy (mJ/m2) is 2036 for (100) surface, 2106 for (110) surface, and 1502 for (111) surface. The potential can be utilized to find the equilibrium shape and atomic configuration of Pt bimetallic nanoparticles more accurately.

  12. The kinetics and mechanism of methanol oxidation on Pt and PtRu catalysts in alkaline and acid media

    Directory of Open Access Journals (Sweden)

    JELENA LOVIC

    2007-07-01

    Full Text Available The kinetic of methanol electrochemical oxidation for a series of platinum and platinum–ruthenium catalysts was investigated. A correlation between the beginning of OHad adsorption and methanol oxidation was demonstarated on Pt single crystals and Pt nanocatalyst. The activity of the nano-structured Pt catalyst was compared with single crystal platinum electrodes assuming the Kinoshita model of nanoparticles. The ruthenium-containing catalysts shifted the onset of methanol oxidation to more negative potentials. The effect was more pronounced in acid than in alkaline media. Based on the established diagnostic criteria, the reaction between COad and OHad species according to the Langmuir–Hinshelwood mechanism was proposed as the rate determining step in alkaline and acid media on Pt and PtRu catalysts.

  13. Exchange bias and perpendicular anisotropy study of ultrathin Pt-Co-Pt-IrMn multilayers sputtered on float glass

    Science.gov (United States)

    Laval, M.; Lüders, U.; Bobo, J. F.

    2007-09-01

    We have prepared ultrathin Pt-Co-Pt-IrMn polycrystalline multilayers on float-glass substrates by DC magnetron sputtering. We have determined the optimal set of thickness for both Pt layers, the Co layer and the IrMn biasing layer so that these samples exhibit at the same time out-of-plane magnetic anisotropy and exchange bias. Kerr microscopy domain structure imaging evidences an increase of nucleation rate accompanied with inhomogeneous magnetic behavior in the case of exchange-biased films compared to Pt-Co-Pt trilayers. Polar hysteresis loops are measured in obliquely applied magnetic field conditions, allowing us to determine both perpendicular anisotropy effective constant Keff and exchange-bias coupling JE, which are significantly different from the ones determined by standard switching field measurements.

  14. Exchange bias and perpendicular anisotropy study of ultrathin Pt-Co-Pt-IrMn multilayers sputtered on float glass

    International Nuclear Information System (INIS)

    Laval, M.; Lueders, U.; Bobo, J.F.

    2007-01-01

    We have prepared ultrathin Pt-Co-Pt-IrMn polycrystalline multilayers on float-glass substrates by DC magnetron sputtering. We have determined the optimal set of thickness for both Pt layers, the Co layer and the IrMn biasing layer so that these samples exhibit at the same time out-of-plane magnetic anisotropy and exchange bias. Kerr microscopy domain structure imaging evidences an increase of nucleation rate accompanied with inhomogeneous magnetic behavior in the case of exchange-biased films compared to Pt-Co-Pt trilayers. Polar hysteresis loops are measured in obliquely applied magnetic field conditions, allowing us to determine both perpendicular anisotropy effective constant K eff and exchange-bias coupling J E , which are significantly different from the ones determined by standard switching field measurements

  15. Characterization of azo dyes on Pt and Pt/polyaniline/dispersed Pt electrodes

    Energy Technology Data Exchange (ETDEWEB)

    Molina, J.; Fernandez, J.; Rio, A.I. del; Bonastre, J. [Departamento de Ingenieria Textil y Papelera, EPS de Alcoy, Universitat Politecnica de Valencia, Plaza Ferrandiz y Carbonell s/n, 03801 Alcoy (Spain); Cases, F., E-mail: fjcases@txp.upv.es [Departamento de Ingenieria Textil y Papelera, EPS de Alcoy, Universitat Politecnica de Valencia, Plaza Ferrandiz y Carbonell s/n, 03801 Alcoy (Spain)

    2012-06-15

    The electrochemical characterization of two organic dyes (amaranth and procion orange MX-2R) has been performed on Pt electrodes and Pt electrodes coated with polyaniline and dispersed Pt. Electrodes with different Pt loads have been synthesized and characterized obtaining that a load of 300 {mu}g cm{sup -2} was the optimum one. Scanning electron microscopy (SEM) and atomic force microscopy (AFM) was employed to observe the distribution and morphology of the Pt nanoparticles. The electroactivity of the electrodes has also been characterized by means of scanning electrochemical microscopy (SECM). The chemical characterization of Pt dispersed Pani coated Pt electrodes (Pt-Pani-Pt) was performed by means of X-ray photoelectron spectroscopy (XPS). The electrochemical characterization of the dyes has been performed by means of cyclic voltammetry. Voltammograms have shown that the presence of the dyes diminishes characteristic Pt oxidation and reduction peaks. However, redox processes due to the dyes, appeared in the voltammograms. The different species responsible of these redox processes were generated in the vicinity of the electrode and were not adsorbed on the electrode surface since after stirring, the different redox processes disappeared. Characterization with different scan rates showed that redox processes of both dyes were controlled by diffusion.

  16. Analytical procedures. Pt. 4

    International Nuclear Information System (INIS)

    Rackwitz, R.

    1985-01-01

    The semi-analytical procedures are summarized under the heading 'first or second-order reliability method'. The asymptotic aggravation of the theory was repeatedly hinted at. In supporting structures the probability of outage of components always is also a function of the condition of all other components. It depends moreover on the stress affecting mostly all components. This fact causes a marked reduction of the effect of redundant component arrangements in the system. It moreover requires very special formulations. Although theoretically interesting and practically important developments will leave their mark on the further progress of the theory, the statements obtained by those approaches will continue to depend on how closely the chosen physical relationships and stoachstic models can come to the scatter quantities. Sensitivity studies show that these are partly aspects of substantially higher importance with a view to decision criteria than the refinement of the (probabilistic) method. Questions of relevance and reliability of data and their adequate treatment in reliability analyses seem to rank higher in order of sequence than exaggerated demands on methodics. (orig./HP) [de

  17. Co on Pt(111) studied by spin-polarized scanning tunneling microscopy and spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Meier, F.K.

    2006-07-01

    In this thesis the electronic properties of the bare Pt(111) surface, the structural, electronic, and magnetic properties of monolayer and double-layer high Co nanostructures as well as the spin-averaged electronic structure of single Co atoms on Pt(111) were studied by low-temperature scanning tunneling microscopy (STM) and spectroscopy (STS). The experiments on the bare Pt(111) surface and on single Co atoms have been performed in an STM facility operating at temperatures of down to 0.3 K and at magnetic fields of up to 14 T under ultra-high vacuum conditions. The facility has been taken into operation within the time period of this thesis and its specifications were tested by STS measurements. These characterization measurements show a very high stability of the tunneling junction and an energy resolution of about 100 {mu}eV, which is close to the thermal limit. The investigation of the electronic structure of the bare Pt(111) surface reveals the existence of an unoccupied surface state. By a comparison of the measured dispersion to first-principles electronic structure calculations the state is assigned to an sp-derived surface band at the lower boundary of the projected bulk band gap. The surface state exhibits a strong spin-orbit coupling induced spin splitting. The close vicinity to the bulk bands leads to a strong linear contribution to the dispersion and thus to a deviant appearance in the density of states in comparison to the surface states of the (111) surfaces of noble metals. A detailed study of Co monolayer and double-layer nanostructures on the Pt(111) surface shows that both kinds of nanostructures exhibit a highly inhomogeneous electronic structure which changes at the scale of only a few Aa due to a strong stacking dependence with respect to the Pt(111) substrate. With the help of first principles calculations the different spectroscopic appearance for Co atoms within the Co monolayer is assigned to a stacking dependent hybridization of Co states

  18. α-NiPt(Al) and phase equilibria in the Ni-Al-Pt system at 1150 deg C

    International Nuclear Information System (INIS)

    Hayashi, S.; Ford, S.I.; Young, D.J.; Sordelet, D.J.; Besser, M.F.; Gleeson, B.

    2005-01-01

    The α-NiPt(Al) phase and its associated equilibria in the Ni-Al-Pt system at 1150 deg C were investigated by analyzing equilibrated bulk alloys and the interdiffusion zones of diffusion couples. Phase constitutions, tie-lines and microstructures were determined using a combination of techniques, including high-energy synchrotron X-ray diffraction, scanning electron microscopy and electron probe microanalysis. A large Pt solubility limit was found to exist in the β-NiAl, ∼42 at.%, and in γ'-Ni 3 Al, ∼32 at.%. The α-NiPt(Al) phase was found to have wide Pt solubility range of about 33-60 at.% and to skew along an almost constant Pt/Al ratio of 1.5. The α-NiPt(Al) has an ordered face-centered tetragonal L1 0 crystal structure, with the Al and Pt atoms found to be preferentially located in the corners and prismatic faces, respectively. The temperature dependence of the lattice parameters and unit cell volume of the α phase were also determined

  19. Wigner’s phase-space function and atomic structure: II. Ground states for closed-shell atoms

    DEFF Research Database (Denmark)

    Springborg, Michael; Dahl, Jens Peder

    1987-01-01

    We present formulas for reduced Wigner phase-space functions for atoms, with an emphasis on the first-order spinless Wigner function. This function can be written as the sum of separate contributions from single orbitals (the natural orbitals). This allows a detailed study of the function. Here we...... display and analyze the function for the closed-shell atoms helium, beryllium, neon, argon, and zinc in the Hartree-Fock approximation. The quantum-mechanical exact results are compared with those obtained with the approximate Thomas-Fermi description of electron densities in phase space....

  20. Ferroelectric properties of sandwich structured (Bi, La)4T3O12/Pb(Zr, Ti)O3/ (Bi, La)4Ti3O12 thin films on Pt/Ti/SiO2/Si substrates

    International Nuclear Information System (INIS)

    Bao Dinghua; Wakiya, Naoki; Shinozaki, Kazuo; Mizutani, Nobuyasu

    2002-01-01

    Sandwich structured (Bi, La) 4 Ti 3 O 12 /Pb(Zr, Ti)O 3 /(Bi, La) 4 Ti 3 O 12 thin films were fabricated on Pt/Ti/SiO 2 /Si substrates, with the intention of simultaneously utilizing the advantages of both (Bi, La) 4 Ti 3 O 12 (BLT) and Pb(Zr, Ti)O 3 (PZT) thin films such as non-fatigue behaviours of BLT and good ferroelectric properties of PZT. Both BLT and PZT layers were prepared by a chemical solution deposition technique. The experiments demonstrated that the sandwich structure showed fatigue-free characteristics at least up to 10 10 switching bipolar pulse cycles under 8 V and excellent retention properties. The sandwich structured thin films also exhibited well-defined hysteresis loops with a remanent polarization (2P r ) of 8.8 μC cm -2 and a coercive field (E c ) of 47 kV cm -1 . The room-temperature dielectric constant and dissipation factor were 210 and 0.031, respectively, at a frequency of 100 kHz. These results suggest that this sandwich structure is a promising material combination for ferroelectric memory applications. (author)

  1. Development of a large scale structure in the rod gap region for turbulent in-line flow through closely spaced rod arrays

    International Nuclear Information System (INIS)

    Hooper, J.D.

    1984-01-01

    Experimental studies of developed axial single-phase flow through closely spaced rod arrays have shown, with reducing p/d ratio, the development of high axial and azimuthal turbulence intensities in the rod gap region. Associated with this is the existence of very high levels of the azimuthal Reynolds shear stress component either side of the rod gap centre. Spatial correlation analysis of the three turbulent velocity components has shown a large scale coherent and almost periodic structure in the rod gap region. The structure is markedly different to the currently accepted secondary flow model. 14 references

  2. Crystal structures of wild-type Trichoderma reesei Cel7A catalytic domain in open and closed states

    Energy Technology Data Exchange (ETDEWEB)

    Bodenheimer, Annette M. [Molecular and Structural Biochemistry Department, North Carolina State University, Raleigh NC USA; Neutron Sciences Directorate, Oak Ridge National Laboratory, TN USA; Meilleur, Flora [Molecular and Structural Biochemistry Department, North Carolina State University, Raleigh NC USA; Neutron Sciences Directorate, Oak Ridge National Laboratory, TN USA

    2016-11-07

    Trichoderma reesei Cel7A efficiently hydrolyses cellulose. We report here the crystallographic structures of the wild-type TrCel7A catalytic domain (CD) in an open state and, for the first time, in a closed state. Molecular dynamics (MD) simulations indicate that the loops along the CD tunnel move in concerted motions. Together, the crystallographic and MD data suggest that the CD cycles between the tense and relaxed forms that are characteristic of work producing enzymes. Analysis of the interactions formed by R251 provides a structural rationale for the concurrent decrease in product inhibition and catalytic efficiency measured for product-binding site mutants.

  3. The role of the anionic and cationic pt sites in the adsorption site preference of water and ethanol on defected Pt4/Pt(111) substrates: A density functional theory investigation within the D3 van der waals corrections

    Science.gov (United States)

    Seminovski, Yohanna; Amaral, Rafael C.; Tereshchuk, Polina; Da Silva, Juarez L. F.

    2018-01-01

    Platinum (Pt) atoms in the bulk face-centered cubic structure have neutral charge because they are equivalent by symmetry, however, in clean Pt surfaces, the effective charge on Pt atoms can turn slightly negative (anionic) or positive (cationic) while increasing substantially in magnitude for defected (low-coordinated) Pt sites. The effective charge affect the adsorption properties of molecular species on Pt surfaces and it can compete in importance with the coupling of the substrate-molecule electronic states. Although several studies have been reported due to the importance of Pt for catalysis, our understanding of the role played by low-coordinated sites is still limited. Here, we employ density functional theory within the Perdew-Burke-Ernzerhof exchange-correlation functional and the D3 van der Waals (vdW) correction to investigate the role of the cationic and anionic Pt sites on the adsorption properties of ethanol and water on defected Pt4/Pt(111) substrates. Four substrates were carefully selected, namely, two two-dimensional (2D) Pt4 configurations (2D-strand and 2D-island) and two tri-dimensional (3D) Pt4 (3D-fcc and 3D-hcp), to understand the role of coordination, effective charge, and coupling of the electronic states in the adsorption properties. From the Bader charge analysis, we identified the cationic and anionic sites among the Pt atoms exposed to the vacuum region in the Pt4/Pt(111) substrates. We found that ethanol and water bind via the anionic O atoms to the low-coordinated defected Pt sites of the substrates, where the angle PtOH is nearly 100° for most configurations. In the 3D-fcc or 3D-hcp defected configurations, the lowest-coordinated Pt atoms are anionic, hence, those Pt sites are not preferable for the adsorption of O atoms. The charge transfer from water and ethanol to the Pt substrates has similar magnitude for all cases, which implies similar Coulomb contribution to the adsorption energy. Moreover, we found a correlation of the

  4. A study on H{sub 2}-TPR of Pt/Ce{sub 0.27}Zr{sub 0.73}O{sub 2} and Pt/Ce{sub 0.27}Zr{sub 0.70}La{sub 0.03}O{sub x} for soot oxidation

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Hailong [College of Chemical Engineering, Sichuan University, Chengdu 610064 (China); Wang, Jianli; Zhang, Yanhua [College of Chemistry, Sichuan University, Chengdu 610064 (China); Jiao, Yi [Xi’an Modern Chemistry Research Institute, Xi’an 710065 (China); Ren, Chengjun; Gong, Maochu [College of Chemistry, Sichuan University, Chengdu 610064 (China); Chen, Yaoqiang, E-mail: nic7501@scu.edu.cn [College of Chemical Engineering, Sichuan University, Chengdu 610064 (China); College of Chemistry, Sichuan University, Chengdu 610064 (China); Sichuan Provincial Vehicular Exhaust Gases Abatement Engineering Technology Center, Chengdu 610064 (China); Sichuan Provincial Environmental Catalytic Material Engineering Technology Center, Chengdu 610064 (China)

    2016-07-30

    Highlights: • The H{sub 2} consumption of the catalyst increases after aging. • The availability of surface lattice oxygen could be improved after aging. • Sintering and encapsulation of Pt weaken H{sub 2} spillover mechanism. • Soot oxidation activity is closely related to reduction temperature. - Abstract: Pt/Ce{sub 0.27}Zr{sub 0.73}O{sub 2} and Pt/Ce{sub 0.27}Zr{sub 0.70}La{sub 0.03}O{sub x} catalysts, prepared by co-precipitation and impregnation methods, were thermally treated at different temperatures for 10 h and then characterized by X-ray diffraction (XRD), Brunauer-Emmett-Teller (BET), X-ray photoelectron spectroscopy (XPS), H{sub 2} temperature-programmed reduction (H{sub 2}-TPR), thermogravimetric analysis (TGA) and soot temperature-programmed oxidation (soot-TPO). Due to thermal effect on the structural and textural properties, the aged catalysts show increased reduction temperatures. But, interestingly, more H{sub 2} consumption is detected, which would be ascribed to the increased mobility of bulk oxygen and surface lattice oxygen. The promoting and synergistic roles of Pt in H{sub 2}-TPR are discussed and it reveals that the sintering and encapsulation of Pt would weaken the H{sub 2} spillover mechanism and the addition of La is beneficial to stabilize the synergistic effect between Pt and Ce. On the other hand, a humble role of Pt on promoting soot oxidation activity is found in this study. Not all oxygen species available in H{sub 2}-TPR can be used for soot oxidation. The deactivation of the aged catalysts is closely related to the reduction temperature.

  5. Polymeric anionic networks using dibromine as a crosslinker; the preparation and crystal structure of [(C4H9)4N]2[Pt2Br10].(Br2)7 and [(C4H9)4N]2[PtBr4Cl2].(Br2)6.

    Science.gov (United States)

    Berkei, Michael; Bickley, Jamie F; Heaton, Brian T; Steiner, Alexander

    2002-09-21

    The reaction of M[PtX3(CO)] (M+ = [(C4H9)4N]+, X = Br, Cl) with an excess of Br2 gives the new platinum(IV) salts, [(C4H9)4N]2[Pt2Br10].(Br2)7, 1, and [(C4H9)4N]2[PtBr4Cl2].(Br2)6, 2, which, in the solid state, contain strong Br Br interactions resulting in the formation of polymeric networks; they could provide useful solid storage reservoirs for elemental bromine.

  6. Solitons in PT-symmetric potential with competing nonlinearity

    International Nuclear Information System (INIS)

    Khare, Avinash; Al-Marzoug, S.M.; Bahlouli, Hocine

    2012-01-01

    We investigate the effect of competing nonlinearities on beam dynamics in PT-symmetric potentials. In particular, we consider the stationary nonlinear Schrödinger equation (NLSE) in one dimension with competing cubic and generalized nonlinearity in the presence of a PT-symmetric potential. Closed form solutions for localized states are obtained. These solitons are shown to be stable over a wide range of potential parameters. The transverse power flow associated with these complex solitons is also examined. -- Highlights: ► Effect of competing nonlinearities on beam dynamics in PT-symmetric potentials. ► Closed form solutions for localized states are. ► The transverse power flow associated with these complex solitons is also examined.

  7. Calculated orientation dependence of surface segregations in Pt50Ni50

    DEFF Research Database (Denmark)

    Abrikosov, I. A.; Ruban, Andrei; Skriver, Hans Lomholt

    1994-01-01

    We present local-density calculations of surface segregation profiles in a random Pt50Ni50 alloy. We find that the concentration profiles of the three low-index surfaces oscillate and that the two most closely packed surfaces, i.e., (111) and (100), are enriched by Pt while Ni is found to segrega...

  8. Probing Single Pt Atoms in Complex Intermetallic Al13Fe4.

    Science.gov (United States)

    Yamada, Tsunetomo; Kojima, Takayuki; Abe, Eiji; Kameoka, Satoshi; Murakami, Yumi; Gille, Peter; Tsai, An Pang

    2018-03-21

    The atomic structure of a 0.2 atom % Pt-doped complex metallic alloy, monoclinic Al 13 Fe 4 , was investigated using a single crystal prepared by the Czochralski method. High-angle annular dark-field scanning transmission electron microscopy showed that the Pt atoms were dispersed as single atoms and substituted at Fe sites in Al 13 Fe 4 . Single-crystal X-ray structural analysis revealed that the Pt atoms preferentially substitute at Fe(1). Unlike those that have been reported, Pt single atoms in the surface layers showed lower activity and selectivity than those of Al 2 Pt and bulk Pt for propyne hydrogenation, indicating that the active state of a given single-atom Pt site is strongly dominated by the bonding to surrounding Al atoms.

  9. Fermi-surface topology of the heavy-fermion system Ce2PtIn8

    Science.gov (United States)

    Klotz, J.; Götze, K.; Green, E. L.; Demuer, A.; Shishido, H.; Ishida, T.; Harima, H.; Wosnitza, J.; Sheikin, I.

    2018-04-01

    Ce2PtIn8 is a recently discovered heavy-fermion system structurally related to the well-studied superconductor CeCoIn5. Here we report on low-temperature de Haas-van Alphen-effect measurements in high magnetic fields in Ce2PtIn8 and Pr2PtIn8 . In addition, we performed band-structure calculations for localized and itinerant Ce-4 f electrons in Ce2PtIn8 . Comparison with the experimental data of Ce2PtIn8 and of the 4 f -localized Pr2PtIn8 suggests the itinerant character of the Ce-4 f electrons. This conclusion is further supported by the observation of effective masses in Ce2PtIn8 , which are strongly enhanced with up to 26 bare electron masses.

  10. Coulomb excitation of the 4+1 states of 194Pt, 196Pt and 198Pt

    International Nuclear Information System (INIS)

    Fewell, M.P.; Gyapong, G.J.; Spear, R.H.

    1987-09-01

    Probabilities for the Coulomb excitation of the 4 1 + states of 194 Pt, 196 Pt, 198 Pt by the backscattering of 4 He, 12 C and 16 O ions are reported. Model-independent values of the matrix elements 1 + ; M(E4), 4 1 + > and 1 + , M(E2), 4 1 + > are extracted. Agreement with previous measurements of these matrix elements is good. Values of β 2 and β 4 are determined for 194 Pt and compared with calculations of these quantities

  11. Image-based correlation between the meso-scale structure and deformation of closed-cell foam

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Yongle, E-mail: yongle.sun@manchester.ac.uk [School of Mechanical, Aerospace and Civil Engineering, The University of Manchester, Sackville Street, Manchester M13 9PL (United Kingdom); Zhang, Xun [Henry Moseley X-ray Imaging Facility, School of Materials, The University of Manchester, Upper Brook Street, Manchester M13 9PL (United Kingdom); Shao, Zhushan [School of Civil Engineering, Xi' an University of Architecture & Technology, Xi' an 710055 (China); Li, Q.M. [School of Mechanical, Aerospace and Civil Engineering, The University of Manchester, Sackville Street, Manchester M13 9PL (United Kingdom); State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing 100081 (China)

    2017-03-14

    In the correlation between structural parameters and compressive behaviour of cellular materials, previous studies have mostly focused on averaged structural parameters and bulk material properties for different samples. This study focuses on the meso-scale correlation between structure and deformation in a 2D foam sample generated from a computed tomography slice of Alporas™ foam, for which quasi-static compression was simulated using 2D image-based finite element modelling. First, a comprehensive meso-scale structural characterisation of the 2D foam was carried out to determine the size, aspect ratio, orientation and anisotropy of individual cells, as well as the length, straightness, inclination and thickness of individual cell walls. Measurements were then conducted to obtain the axial distributions of local structural parameters averaged laterally to compression axis. Second, the meso-scale deformation was characterised by cell-wall strain, cell area ratio, digital image correlation strain and local compressive engineering strain. According to the results, the through-width sub-regions over an axial length between the average (lower bound) and the maximum (upper bound) of cell size should be used to characterise the meso-scale heterogeneity of the cell structure and deformation. It was found that the first crush band forms in a sub-region where the ratio of cell-wall thickness to cell-wall length is a minimum, in which the collapse deformation is dominated by the plastic bending and buckling of cell walls. Other morphological parameters have secondary effect on the initiation of crush band in the 2D foam. The finding of this study suggests that the measurement of local structural properties is crucial for the identification of the “weakest” region which determines the initiation of collapse and hence the corresponding collapse load of a heterogeneous cellular material.

  12. Image-based correlation between the meso-scale structure and deformation of closed-cell foam

    International Nuclear Information System (INIS)

    Sun, Yongle; Zhang, Xun; Shao, Zhushan; Li, Q.M.

    2017-01-01

    In the correlation between structural parameters and compressive behaviour of cellular materials, previous studies have mostly focused on averaged structural parameters and bulk material properties for different samples. This study focuses on the meso-scale correlation between structure and deformation in a 2D foam sample generated from a computed tomography slice of Alporas™ foam, for which quasi-static compression was simulated using 2D image-based finite element modelling. First, a comprehensive meso-scale structural characterisation of the 2D foam was carried out to determine the size, aspect ratio, orientation and anisotropy of individual cells, as well as the length, straightness, inclination and thickness of individual cell walls. Measurements were then conducted to obtain the axial distributions of local structural parameters averaged laterally to compression axis. Second, the meso-scale deformation was characterised by cell-wall strain, cell area ratio, digital image correlation strain and local compressive engineering strain. According to the results, the through-width sub-regions over an axial length between the average (lower bound) and the maximum (upper bound) of cell size should be used to characterise the meso-scale heterogeneity of the cell structure and deformation. It was found that the first crush band forms in a sub-region where the ratio of cell-wall thickness to cell-wall length is a minimum, in which the collapse deformation is dominated by the plastic bending and buckling of cell walls. Other morphological parameters have secondary effect on the initiation of crush band in the 2D foam. The finding of this study suggests that the measurement of local structural properties is crucial for the identification of the “weakest” region which determines the initiation of collapse and hence the corresponding collapse load of a heterogeneous cellular material.

  13. Quaternary Pt{sub 2}Ru{sub 1}Fe{sub 1}M{sub 1}/C (M=Ni, Mo, or W) catalysts for methanol electro-oxidation reaction

    Energy Technology Data Exchange (ETDEWEB)

    Jeon, Min Ku; Lee, Ki Rak; Kang, Kweon Ho; Park, Geun Il [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of); Jeon, Hyung Joon [Kyoto University, Kyoto (Japan); McGinn, Paul J. [University of Notre Dame, Indiana (United States)

    2015-02-15

    Quaternary Pt{sub 2}Ru{sub 1}Fe{sub 1}M{sub 1}/C (M=Ni, Mo, or W) catalysts were investigated for the methanol electro-oxidation reaction (MOR). Electrocatalytic activities of the quaternary catalysts for CO electro-oxidation were studied via CO stripping experiments, and the Pt{sub 2}Ru{sub 1}Fe{sub 1}Ni{sub 1}/C and Pt{sub 2}Ru{sub 1}Fe{sub 1}W{sub 1}/C catalysts exhibited lowered on-set potential compared to that of a commercial PtRu/C catalyst. MOR activities of the quaternary catalysts were determined by linear sweep voltammetry (LSV) experiments, and the Pt{sub 2}Ru{sub 1}Fe{sub 1}W{sub 1}/C catalyst outperformed the commercial PtRu/C catalyst by 170 and 150% for the mass and specific activities, respectively. X-ray photoelectron spectroscopy (XPS) was employed to analyze surface oxidation states of constituent atoms, and it was identified that the structure of the synthesized catalysts are close to a nano-composite of Pt and constituent metal hydroxides and oxides. In addition, the XPS results suggested that the bi-functional mechanism accounts for the improved performance of the Pt{sub 2}Ru{sub 1}Fe{sub 1}Ni{sub 1}/C and Pt{sub 2}Ru{sub 1} Fe{sub 1}W{sub 1}/C catalysts.

  14. Tuning the chemical activity through PtAu nanoalloying: a first principles study

    KAUST Repository

    Mokkath, Junais Habeeb

    2013-06-21

    The electronic structure and adsorption properties of 1.5 nm sized Pt, Au, and PtAu nanoclusters are studied by density functional theory. We explain the recent experimental finding that 20% Au content in PtAu nanoparticles is optimal to induce a dramatically different catalytic behavior. Our results show that the d-band center together with the density of states at the Fermi energy can be used as an indicator of the chemical activity of PtAu nanoclusters. The most favorable adsorption sites on the cluster surfaces as a function of the Pt/Au ratio are identified using atomic H as a probe.

  15. Tuning the chemical activity through PtAu nanoalloying: a first principles study

    KAUST Repository

    Mokkath, Junais Habeeb; Schwingenschlö gl, Udo

    2013-01-01

    The electronic structure and adsorption properties of 1.5 nm sized Pt, Au, and PtAu nanoclusters are studied by density functional theory. We explain the recent experimental finding that 20% Au content in PtAu nanoparticles is optimal to induce a dramatically different catalytic behavior. Our results show that the d-band center together with the density of states at the Fermi energy can be used as an indicator of the chemical activity of PtAu nanoclusters. The most favorable adsorption sites on the cluster surfaces as a function of the Pt/Au ratio are identified using atomic H as a probe.

  16. Fabrication of Pt/Au concentric spheres from triblock copolymer.

    Science.gov (United States)

    Koh, Haeng-Deog; Park, Soojin; Russell, Thomas P

    2010-02-23

    Dispersion of an aqueous H(2)PtCl(6) solution into a trifluorotoluene (TFT) solution of a polystyrene-block-poly(2-vinylpyridine)-block-poly(ethylene oxide) (PS-b-P2VP-b-PEO) triblock copolymer produced an emulsion-induced hollow micelle (EIHM), comprising a water nanodroplet stabilized by PEO, H(2)PtCl(6)/P2VP, and PS, sequentially. The following addition of an aqueous LiAuCl(4) solution into the dispersion led to a coordination of LiAuCl(4) and PEO. The resulting spherical EIHM structure was transformed to a hollow cylindrical micelle by the fusion of spherical EIHM with the addition of methanol. This structural transition was reversible by the alternative addition of methanol and TFT. Oxygen plasma was used to generate Pt/Au concentric spheres and hollow cylindrical Pt/Au nano-objects.

  17. Indigenous Australian household structure: a simple data collection tool and implications for close contact transmission of communicable diseases.

    Science.gov (United States)

    Vino, Thiripura; Singh, Gurmeet R; Davison, Belinda; Campbell, Patricia T; Lydeamore, Michael J; Robinson, Andrew; McVernon, Jodie; Tong, Steven Y C; Geard, Nicholas

    2017-01-01

    Households are an important location for the transmission of communicable diseases. Social contact between household members is typically more frequent, of greater intensity, and is more likely to involve people of different age groups than contact occurring in the general community. Understanding household structure in different populations is therefore fundamental to explaining patterns of disease transmission in these populations. Indigenous populations in Australia tend to live in larger households than non-Indigenous populations, but limited data are available on the structure of these households, and how they differ between remote and urban communities. We have developed a novel approach to the collection of household structure data, suitable for use in a variety of contexts, which provides a detailed view of age, gender, and room occupancy patterns in remote and urban Australian Indigenous households. Here we report analysis of data collected using this tool, which quantifies the extent of crowding in Indigenous households, particularly in remote areas. We use these data to generate matrices of age-specific contact rates, as used by mathematical models of infectious disease transmission. To demonstrate the impact of household structure, we use a mathematical model to simulate an influenza-like illness in different populations. Our simulations suggest that outbreaks in remote populations are likely to spread more rapidly and to a greater extent than outbreaks in non-Indigenous populations.

  18. A validation of the Experiences in Close Relationships-Relationship Structures scale (ECR-RS) in adolescents

    DEFF Research Database (Denmark)

    Donbaek, Dagmar Feddern; Elklit, Ask

    2014-01-01

    structures in adults and, hence, moves beyond the traditional focus on romantic relationships. The present article explored the psychometric abilities of the ECR-RS across parental and best friend domains in a sample of 15 to 18-year-olds (n = 1999). Two oblique factors were revealed across domains...

  19. Indigenous Australian household structure: a simple data collection tool and implications for close contact transmission of communicable diseases

    Directory of Open Access Journals (Sweden)

    Thiripura Vino

    2017-10-01

    Full Text Available Households are an important location for the transmission of communicable diseases. Social contact between household members is typically more frequent, of greater intensity, and is more likely to involve people of different age groups than contact occurring in the general community. Understanding household structure in different populations is therefore fundamental to explaining patterns of disease transmission in these populations. Indigenous populations in Australia tend to live in larger households than non-Indigenous populations, but limited data are available on the structure of these households, and how they differ between remote and urban communities. We have developed a novel approach to the collection of household structure data, suitable for use in a variety of contexts, which provides a detailed view of age, gender, and room occupancy patterns in remote and urban Australian Indigenous households. Here we report analysis of data collected using this tool, which quantifies the extent of crowding in Indigenous households, particularly in remote areas. We use these data to generate matrices of age-specific contact rates, as used by mathematical models of infectious disease transmission. To demonstrate the impact of household structure, we use a mathematical model to simulate an influenza-like illness in different populations. Our simulations suggest that outbreaks in remote populations are likely to spread more rapidly and to a greater extent than outbreaks in non-Indigenous populations.

  20. L1{sub 0}-FePt films fabricated by wet-chemical route

    Energy Technology Data Exchange (ETDEWEB)

    Hong, Xiaoliang; Xiao, Wen; Bao, Nina; Li, Weimin; Chichvarina, Olga, E-mail: A0077107@nus.edu.sg; Ding, Jun, E-mail: msedingj@nus.edu.sg

    2015-08-31

    In this work, we have developed a method to fabricate FePt films by a combination of chemical deposition and post-annealing. Pt-doped Fe films were deposited on Pt(100 nm)/Ti(50 nm)/SiO{sub 2}/Si substrate using thermal deposition and the as-deposited films were subsequently annealed from 300 °C to 800 °C under 5% H{sub 2}/95% N{sub 2}. FePt films were achieved through diffusion and rearrangement of Fe and Pt atoms in post-annealing process. From X-ray diffraction results, the face-centered cubic (fcc) FePt phase appeared at 300 °C and the transformation from fcc to L1{sub 0} phase started at 400 °C. The L1{sub 0}-FePt film possessed an out-of-plane anisotropy and a coercivity of 729 kA/m after annealing at 600 °C. A further increase in annealing temperature led to lower value of coercivity, probably because of grain growth. In addition, the thickness of Pt-doped Fe films could be controlled from 150 nm to 700 nm by adjusting the amount of surfactant used. Our superconducting quantum interference device analysis showed that Pt dopant could significantly improve the chemical stability of Fe films in air. - Highlights: • We fabricated FePt film by a combination of chemical deposition and post-annealing. • L1{sub 0} FePt film was formed by Fe/Pt diffusion in annealing of Pt-doped Fe film. • L1{sub 0}-phase FePt with high coercivity and small out-of-plane anisotropy • Relatively small amount of Pt dopant can enhance chemical stability greatly. • We studied structure and magnetic property of as-deposited and annealed FePt film.

  1. Periodically Arranged Arrays of Dendritic Pt Nanospheres Using Cage-Type Mesoporous Silica as a Hard Template.

    Science.gov (United States)

    Kani, Kenya; Malgras, Victor; Jiang, Bo; Hossain, Md Shahriar A; Alshehri, Saad M; Ahamad, Tansir; Salunkhe, Rahul R; Huang, Zhenguo; Yamauchi, Yusuke

    2018-01-04

    Dendritic Pt nanospheres of 20 nm diameter are synthesized by using a highly concentrated surfactant assembly within the large-sized cage-type mesopores of mesoporous silica (LP-FDU-12). After diluting the surfactant solution with ethanol, the lower viscosity leads to an improved penetration inside the mesopores. After Pt deposition followed by template removal, the arrangement of the Pt nanospheres is a replication from that of the mesopores in the original LP-FDU-12 template. Although it is well known that ordered LLCs can form on flat substrates, the confined space inside the mesopores hinders surfactant self-organization. Therefore, the Pt nanospheres possess a dendritic porous structure over the entire area. The distortion observed in some nanospheres is attributed to the close proximity existing between neighboring cage-type mesopores. This new type of nanoporous metal with a hierarchical architecture holds potential to enhance substance diffusivity/accessibility for further improvement of catalytic activity. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Binuclear Pt-Tl bonded complex with square pyramidal coordination around Pt: a combined multinuclear NMR, EXAFS, UV-Vis, and DFT/TDDFT study in dimethylsulfoxide solution.

    Science.gov (United States)

    Purgel, Mihály; Maliarik, Mikhail; Glaser, Julius; Platas-Iglesias, Carlos; Persson, Ingmar; Tóth, Imre

    2011-07-04

    The structure and bonding of a new Pt-Tl bonded complex formed in dimethylsulfoxide (dmso), (CN)(4)Pt-Tl(dmso)(5)(+), have been studied by multinuclear NMR and UV-vis spectroscopies, and EXAFS measurements in combination with density functional theory (DFT) and time dependent density functional theory (TDDFT) calculations. This complex is formed following the equilibrium reaction Pt(CN)(4)(2-) + Tl(dmso)(6)(3+) ⇆ (CN)(4)Pt-Tl(dmso)(5)(+) + dmso. The stability constant of the Pt-Tl bonded species, as determined using (13)C NMR spectroscopy, amounts to log K = 2.9 ± 0.2. The (NC)(4)Pt-Tl(dmso)(5)(+) species constitutes the first example of a Pt-Tl bonded cyanide complex in which the sixth coordination position around Pt (in trans with respect to the Tl atom) is not occupied. The spectral parameters confirm the formation of the metal-metal bond, but differ substantially from those measured earlier in aqueous solution for complexes (CN)(5)Pt-Tl(CN)(n)(H(2)O)(x)(n-) (n = 0-3). The (205) Tl NMR chemical shift, δ = 75 ppm, is at extraordinary high field, while spin-spin coupling constant, (1)J(Pt-Tl) = 93 kHz, is the largest measured to date for a Pt-Tl bond in the absence of supporting bridging ligands. The absorption spectrum is dominated by two strong absorption bands in the UV region that are assigned to MMCT (Pt → Tl) and LMCT (dmso → Tl) bands, respectively, on the basis of MO and TDDFT calculations. The solution of the complex has a bright yellow color as a result of a shoulder present on the low energy side of the band at 355 nm. The geometry of the (CN)(4)Pt-Tl core can be elucidated from NMR data, but the particular stoichiometry and structure involving the dmso ligands are established by using Tl and Pt L(III)-edge EXAFS measurements. The Pt-Tl bond distance is 2.67(1) Å, the Tl-O bond distance is 2.282(6) Å, and the Pt-C-N entity is linear with Pt-C and Pt···N distances amounting to 1.969(6) and 3.096(6) Å, respectively. Geometry optimizations on

  3. Experimental and DFT study of thiol-stabilized Pt/CNTs catalysts.

    Science.gov (United States)

    Li, L; Chen, S G; Wei, Z D; Qi, X Q; Xia, M R; Wang, Y Q

    2012-12-28

    Using a combination of experiments and density functional theory (DFT) calculations, we explored the mechanisms of the stabilization effect of the thiolized (-SH) group on the Pt/SH-CNTs catalyst. Pt particles supported on the hydroxyl functionalized CNTs (Pt/OH-CNTs) are synthesized as a baseline for comparison. Experimentally, the platinum on OH-CNTs has a stronger tendency for aggregation than that on SH-CNTs. The differences in the oxidation resistance, migration activation energy, and corrosion resistance between the Pt/SH-CNTs and Pt/OH-CNTs are calculated using DFT. The DFT calculations indicate that the -SH group enhances the oxidation resistance of the Pt cluster and CNTs and restricts Pt migration on the CNTs. DFT calculations also suggest that the enhanced stability of Pt/SH-CNTs originates from the increased interaction between Pt and SH-CNTs and the depressed d-band center of the Pt NPs. Thus, the functional groups on the CNTs used for stabilization of supported Pt NPs should provide a deposit and anchor site for Pt NPs and maintain the perfect structure of CNTs rather than destroying it.

  4. Facile fabrication of ultrathin Pt overlayers onto nanoporous metal membranes via repeated Cu UPD and in situ redox replacement reaction.

    Science.gov (United States)

    Liu, Pengpeng; Ge, Xingbo; Wang, Rongyue; Ma, Houyi; Ding, Yi

    2009-01-06

    Ultrathin Pt films from one to several atomic layers are successfully decorated onto nanoporous gold (NPG) membranes by utilizing under potential deposition (UPD) of Cu onto Au or Pt surfaces, followed by in situ redox replacement reaction (RRR) of UPD Cu by Pt. The thickness of Pt layers can be controlled precisely by repeating the Cu-UPD-RRR cycles. TEM observations coupled with electrochemical testing suggest that the morphology of Pt overlayers changes from an ultrathin epitaxial film in the case of one or two atomic layers to well-dispersed nanoislands in the case of four and more atomic layers. Electron diffraction (ED) patterns confirm that the as-prepared NPG-Pt membranes maintain a single-crystalline structure, even though the thickness of Pt films reaches six atomic layers, indicating the decorated Pt films hold the same crystallographic relationship to the NPG substrate during the entire fabrication process. Due to the regular modulation of Pt utilization, the electrocatalytic activity of NPG-Pt exhibits interesting surface structure dependence in methanol, ethanol, and CO electrooxidation reactions. These novel bimetallic nanocatalysts show excellent electrocatalytic activity and much enhanced poison tolerance as compared to the commercial Pt/C catalysts. The success in the fabrication of NPG-Pt-type materials provides a new path to prepare electrocatalysts with ultralow Pt loading and high Pt utilization, which is of great significance in energy-related applications, such as direct alcohol fuel cells (DAFCs).

  5. Heterogeneous hydrogenation using stable and reusable calix[4]pyrrole fenced Pt nanoparticles and its mechanistic insight

    Science.gov (United States)

    Kongor, Anita; Panchal, Manthan; Athar, Mohd; Mehta, Viren; Bhatt, Keyur; Jha, P. C.; Jain, Vinod

    2018-04-01

    Novel calix[4]pyrrole encapsulated platinum nanoparticles (PtNPs) have been prepared in the aqueous medium using meso-tetra(methoxy) meso-tetra (4-phenoxy acetohydrazide) calix[4]pyrrole (MCPTH) as both reducing as well as the capping agent. The developed MCPTH-PtNPs nano-assembly has been characterized by HRTEM, XRD, XPS, TGA and FTIR methods. Grafting capability of MCPTH on PtNPs was envisaged by molecular dynamics simulations that renders towards the complemented role of ligand in capping the surface via metal-acceptor interactions. These nanoparticles have been exploited for chemoselective hydrogenation of nitroarenes using molecular hydrogen at room temperature. Supplemented computational and experimental apprehension clearly corroborates that hydrazide group remains in close contact with the surface and provides adequate coordination sites for the adsorption of nitrenes; required for hydrogenation. This catalytic approach can be conceived as an important tool for determining the electronic and structural influence on the catalytic activity which may open new vistas pertaining to the use of calix functionalized nanocatalyst.

  6. Procedure to determine the optimal parameters of the main primary coolant pump after compacting the FRG-1 reactor. Pt. 2. Partial structures of the procedure

    International Nuclear Information System (INIS)

    Pihowicz, W.

    1999-01-01

    On the basis of an extensive physical and technical analysis the partial structures of the procedure had been developed. They represent a logical linkage of determination elements in the form of decision and result units. The developed partial structures enable to determine the physical parameters, which characterize the primary circuit together with the compact core as well as the main primary coolant pump coming into question after compacting the core. The report also contains a discussions and a comparison of the partial structures. (orig.) [de

  7. THE IMPACT OF ACQUISITION ON FINANCIAL PERFORMANCE OF PT. ABC

    OpenAIRE

    Novian Zen; Noer Azam Achsani; Trias Andati

    2016-01-01

    This study aimed to analyze the financial performance of the subsidiary company (PT ABC) before and after acquired by the holding company (PT XYZ). The examined ratios of the financial performance were profitability and capital structure for the period of 2010-2014. This study utilized the t test tool. In the first and second year after the acquisition, the result shows that with the existence of business synergy, there was a change in financial performance although it was insignificant. Furt...

  8. Ordering process of sputtered FePt films

    International Nuclear Information System (INIS)

    Takahashi, Y.K.; Ohnuma, M.; Hono, K.

    2003-01-01

    We have investigated the in situ ordering process of sputtered FePt thin films deposited on heated substrates at 300 deg. C with different thicknesses. The films thinner than 50 nm were composed of nanograins (∼5 nm) of disordered FePt phase. Recrystallization occurred when films were grown thicker than 100 nm, and transformation twins were observed in recrystallized grains, in which ordering to the L1 0 structure was confirmed

  9. Micro Galvanic Cell To Generate PtO and Extend the Triple-Phase Boundary during Self-Assembly of Pt/C and Nafion for Catalyst Layers of PEMFC.

    Science.gov (United States)

    Long, Zhi; Gao, Liqin; Li, Yankai; Kang, Baotao; Lee, Jin Yong; Ge, Junjie; Liu, Changpeng; Ma, Shuhua; Jin, Zhao; Ai, Hongqi

    2017-11-08

    The self-assembly powder (SAP) with varying Nafion content was synthesized and characterized by XRD, XPS, HRTEM, and mapping. It is observed that the oxygen from oxygen functional groups transfers to the surface of Pt and generate PtO during the process of self-assembly with the mechanism of micro galvanic cell, where Pt, carbon black, and Nafion act as the anode, cathode and electrolyte, respectively. The appearance of PtO on the surface of Pt leads to a turnover of Nafion structure, and therefore more hydrophilic sulfonic groups directly contact with Pt, and thus the triple-phase boundary (TPB) has been expanded.

  10. Rare earth-rich cadmium compounds RE{sub 10}TCd{sub 3} (RE = Y, Tb, Dy, Ho, Er, Tm, Lu; T = Rh, Pd, Ir, Pt) with an ordered Co{sub 2}Al{sub 5}-type structure

    Energy Technology Data Exchange (ETDEWEB)

    Block, Theresa; Klenner, Steffen; Heletta, Lukas; Poettgen, Rainer [Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie

    2018-04-01

    Eighteen new rare earth-rich intermetallic phases RE{sub 10}TCd{sub 3} (RE = Y, Tb, Dy, Ho, Er, Tm, Lu; T = Rh, Pd, Ir, Pt) were obtained by induction melting of the elements in sealed niobium ampoules followed by annealing in muffle furnaces. All samples were characterized by X-ray powder diffraction. The structures of four representatives were refined from single-crystal X-ray diffractometer data: ordered Co{sub 2}Al{sub 5} type, P6{sub 3}/mmc, a = 951.2(1), c = 962.9(2) pm, wR = 0.0460, 595 F{sup 2} values, 20 parameters for Er{sub 10}RhCd{sub 3}; a = 945.17(4), c = 943.33(4), wR = 0.0395, 582 F{sup 2} values, 21 parameters for Lu{sub 9.89}PdCd{sub 3.11}; a = 964.16(6), c = 974.93(6) pm, wR = 0.0463, 614 F{sup 2} values, 21 parameters for Y{sub 10}Ir{sub 1.09}Cd{sub 2.91}; a = 955.33(3), c = 974.56(3) pm, wR = 0.0508, 607 F{sup 2} values, 22 refined parameters for Dy{sub 9.92}IrCd{sub 3.08}. Refinements of the occupancy parameters revealed small homogeneity ranges resulting from RE/Cd, respectively T/Cd mixing. The basic building units of the RE{sub 10}TCd{sub 3} phases are transition metal-centered RE{sub 6} trigonal prisms (TP) that are condensed with double-pairs of empty RE{sub 6} octahedra via common triangular faces. A second type of rods is formed by slightly distorted RE3 rate at Cd{sub 6}RE{sub 6} icosahedra which are condensed via Cd{sub 3} triangular faces. The shortest interatomic distances occur for RE-T, compatible with strong covalent bonding interactions. Temperature dependent magnetic susceptibility measurements were performed for RE{sub 10}RhCd{sub 3} (RE = Dy-Tm, Lu), RE{sub 10}IrCd{sub 3} (RE = Er, Tm, Lu) and RE{sub 10}PtCd{sub 3} (RE = Y, Lu). While Y{sub 10}PtCd{sub 3} and Lu{sub 10}TCd{sub 3} (T = Rh, Ir, Pt) show Pauli paramagnetic behavior, the compounds containing paramagnetic rare earth elements show Curie-Weiss behavior (the experimental magnetic moments indicate stable trivalent RE{sup 3+}) and magnetic ordering at low temperatures

  11. Systematic features of the structure of the heavy odd-mass Sb nuclides near the N = 82 closed shell

    International Nuclear Information System (INIS)

    Stone, C.A.; Robertson, J.D.; Faller, S.H.; Mantica, P.F.; Zimmerman, B.E.; Chung Chien; Walters, W.B.

    1995-01-01

    New data for the decay of 4.1 min 3/2 + 127 Sn to levels of 127 Sb, decay of 2.2 min 3/2 + 129 Sn to levels of 12 Sb and decay of ∼60 s 3/2 + 131 Sn to levels of 131 Sb are presented. The shift in level positions arising from the monopole interaction and core phonon structure as well as changes in beta decay patterns are discussed. (orig.)

  12. Fifty years of coiled-coils and alpha-helical bundles: a close relationship between sequence and structure.

    Science.gov (United States)

    Parry, David A D; Fraser, R D Bruce; Squire, John M

    2008-09-01

    alpha-Helical coiled coils are remarkable for the diversity of related conformations that they adopt in both fibrous and globular proteins, and for the range of functions that they exhibit. The coiled coils are based on a heptad (7-residue), hendecad (11-residue) or a related quasi-repeat of apolar residues in the sequences of the alpha-helical regions involved. Most of these, however, display one or more sequence discontinuities known as stutters or stammers. The resulting coiled coils vary in length, in the number of chains participating, in the relative polarity of the contributing alpha-helical regions (parallel or antiparallel), and in the pitch length and handedness of the supercoil (left- or right-handed). Functionally, the concept that a coiled coil can act only as a static rod is no longer valid, and the range of roles that these structures have now been shown to exhibit has expanded rapidly in recent years. An important development has been the recognition that the delightful simplicity that exists between sequence and structure, and between structure and function, allows coiled coils with specialized features to be designed de novo.

  13. On the Relationship of Magnetocrystalline Anisotropy and Stoichiometry in Epitaxial L1{sub 0} CoPt(001) and FePt(001) Thin Films

    Energy Technology Data Exchange (ETDEWEB)

    Barmak, K

    2004-08-10

    Two series of epitaxial CoPt and FePt films, with nominal thicknesses of 42 or 50 nm, were prepared by sputtering onto single crystal MgO(001) substrates in order to investigate the chemical ordering and the resultant magnetic properties as a function of alloy composition. In the first series, the film composition was kept constant, while the substrate temperature was increased from 144 to 704 C. In the second series the substrate temperature was kept constant at 704 C for CoPt and 620 C for FePt, while the alloy stoichiometry was varied in the nominalrange of 40-60 at% Co(Fe). Film compositions and thicknesses were measured via Rutherford backscattering spectrometry. The lattice and long-range order parameter for the L1{sub 0} phase were obtained for both sets of films using x-ray diffraction. The room-temperature magnetocrystalline anisotropy constants were determined for a subset of the films using torque magnetometry. The order parameter was found to increase with increasing temperature, with ordering occurring more readily in FePt when compared with CoPt. A perpendicular anisotropy developed in CoPt for substrate temperatures above 534 C and in FePt above 321 C. The structure and width of the magnetic domains in CoPt and FePt, as seen by magnetic force microscopy, also demonstrated an increase in magnetic anisotropy with increasing temperature. For the films deposited at the highest temperatures (704 C for CoPt and 620 C for FePt), the order parameter reached a maximum near the equiatomic composition, whereas the magnetocrystalline anisotropy increased as the concentration of Co or Fe was increased from below to slightly above the equiatomic composition. It is concluded that non-stoichiometric L1{sub 0} CoPt and FePt, with a slight excess of Co or Fe, are preferable for applications requiring the highest anisotropies.

  14. The formation mechanism of 4179 Toutatis' elongated bi-lobed structure in a close Earth encounter scenario

    Science.gov (United States)

    Hu, Shoucun; Ji, Jianghui; Richardson, Derek C.; Zhao, Yuhui; Zhang, Yun

    2018-04-01

    The optical images of near-Earth asteroid 4179 Toutatis acquired by Chang'e-2 spacecraft show that Toutatis has an elongated contact binary configuration, with the contact point located along the long axis. We speculate that such configuration may have resulted from a low-speed impact between two components. In this work, we performed a series of numerical simulations and compared the results with the optical images, to examine the mechanism and better understand the formation of Toutatis. Herein we propose an scenario that an assumed separated binary precursor could undergo a close encounter with Earth, leading to an impact between the primary and secondary, and the elongation is caused by Earth's tide. The precursor is assumed to be a doubly synchronous binary with a semi-major axis of 4 Rp (radius of primary) and the two components are represented as spherical cohesionless self-gravitating granular aggregates. The mutual orbits are simulated in a Monte Carlo routine to provide appropriate parameters for our N-body simulations of impact and tidal distortion. We employ the pkdgrav package with a soft-sphere discrete element method (SSDEM) to explore the entire scenarios. The results show that contact binary configurations are natural outcomes under this scenario, whereas the shape of the primary is almost not affected by the impact of the secondary. However, our simulations further provide an elongated contact binary configuration best-matching to the shape of Toutatis at an approaching distance rp = 1.4 ˜ 1.5 Re (Earth radius), indicative of a likely formation scenario for configurations of Toutatis-like elongated contact binaries.

  15. Responses of soil microbial biomass and bacterial community structure to closed-off management (an ecological natural restoration measures): A case study of Dongting Lake wetland, middle China.

    Science.gov (United States)

    Dai, Juan; Wu, Haipeng; Zhang, Chang; Zeng, Guangming; Liang, Jie; Guo, Shenglian; Li, Xiaodong; Huang, Lu; Lu, Lunhui; Yuan, Yujie

    2016-09-01

    Soil microbial biomass (SMB) and bacterial community structure, which are critical to global ecosystem and fundamental ecological processes, are sensitive to anthropogenic activities and environmental conditions. In this study, we examined the possible effects of closed-off management (an ecological natural restoration measures, ban on anthropogenic activity, widely employed for many important wetlands) on SMB, soil bacterial community structure and functional marker genes of nitrogen cycling in Dongting Lake wetland. Soil samples were collected from management area (MA) and contrast area (CA: human activities, such as hunting, fishing and draining, are permitted) in November 2013 and April 2014. Soil properties, microbial biomass carbon (MBC), and bacterial community structure were investigated. Comparison of the values of MA and CA showed that SMB and bacterial community diversity of the MA had a significant increase after 7 years closed-off management. The mean value of Shannon-Weiner diversity index of MA and CA respectively were 2.85 and 2.07. The gene copy numbers of 16S rRNA and nosZ of MA were significant higher than those of CA. the gene copy numbers of ammonia-oxidizing archaea (AOA) and nirK of MA were significant lower than those of CA. However, there was no significant change in the gene copy numbers of ammonia-oxidizing bacteria (AOB) and nirS. Copyright © 2016 The Society for Biotechnology, Japan. Published by Elsevier B.V. All rights reserved.

  16. Synthesis and characterization of Pd@M(x)Cu(1-x) (M = Au, Pd, and Pt) nanocages with porous walls and a yolk-shell structure through galvanic replacement reactions.

    Science.gov (United States)

    Xie, Shuifen; Jin, Mingshang; Tao, Jing; Wang, Yucai; Xie, Zhaoxiong; Zhu, Yimei; Xia, Younan

    2012-11-19

    This paper describes the synthesis of Pd@M(x)Cu(1-x) (M = Au, Pd, and Pt) nanocages with a yolk-shell structure through galvanic replacement reactions that involve Pd@Cu core-shell nanocubes as sacrificial templates and ethylene glycol as the solvent. Compared with the most commonly used templates based on Ag, Cu offers a much lower reduction potential (0.34 versus 0.80 V), making the galvanic reaction more easily to conduct, even at room temperature. Our structural and compositional characterizations indicated that the products were hollow inside, and each one of them contained porous M-Cu alloy walls and a Pd cube in the interior. For the Pd@Au(x)Cu(1-x) yolk-shell nanocages, they displayed broad extinction peaks extending from the visible to the near-IR region. Our mechanistic study revealed that the dissolution of the Cu shell preferred to start from the slightly truncated corners and then progressed toward the interior, because the Cu {100} side faces were protected by a surface capping layer of hexadecylamine. This galvanic approach can also be extended to generating other hollow metal nanostructures by using different combinations of Cu nanostructures and salt precursors. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Switching of the direction of reflectionless light propagation at exceptional points in non-PT-symmetric structures using phase-change materials.

    Science.gov (United States)

    Huang, Yin; Shen, Yuecheng; Min, Changjun; Veronis, Georgios

    2017-10-30

    We introduce a non-parity-time-symmetric three-layer structure, consisting of a gain medium layer sandwiched between two phase-change medium layers for switching of the direction of reflectionless light propagation. We show that for this structure unidirectional reflectionlessness in the forward direction can be switched to unidirectional reflectionlessness in the backward direction at the optical communication wavelength by switching the phase-change material Ge 2 Sb 2 Te 5 (GST) from its amorphous to its crystalline phase. We also show that it is the existence of exceptional points for this structure with GST in both its amorphous and crystalline phases which leads to unidirectional reflectionless propagation in the forward direction for GST in its amorphous phase, and in the backward direction for GST in its crystalline phase. Our results could be potentially important for developing a new generation of compact active free-space optical devices.

  18. Genetic structure and inter-generic relationship of closed colony of laboratory rodents based on RAPD markers.

    Science.gov (United States)

    Kumar, Mahadeo; Kumar, Sharad

    2014-11-01

    Molecular genetic analysis was performed using random amplified polymorphic DNA (RAPD) on three commonly used laboratory bred rodent genera viz. mouse (Mus musculus), rat (Rattus norvegicus) and guinea pig (Cavia porcellus) as sampled from the breeding colony maintained at the Animal Facility, CSIR-Indian Institute of Toxicology Research, Lucknow. In this study, 60 samples, 20 from each genus, were analyzed for evaluation of genetic structure of rodent stocks based on polymorphic bands using RAPD markers. Thirty five random primers were assessed for RAPD analysis. Out of 35, only 20 primers generated a total of 56.88% polymorphic bands among mice, rats and guinea pigs. The results revealed significantly variant and distinct fingerprint patterns specific to each of the genus. Within-genera analysis, the highest (89.0%) amount of genetic homogeneity was observed in mice samples and the least (79.3%) were observed in guinea pig samples. The amount of genetic homogeneity was observed very high within all genera. The average genetic diversity index observed was low (0.045) for mice and high (0.094) for guinea pigs. The inter-generic distances were maximum (0.8775) between mice and guinea pigs; and the minimum (0.5143) between rats and mice. The study proved that the RAPD markers are useful as genetic markers for assessment of genetic structure as well as inter-generic variability assessments.

  19. Preparation of PtSnCu/C and PtSn/C electrocatalysts and activation by dealloying processes for ethanol electrooxidation

    International Nuclear Information System (INIS)

    Crisafulli, Rudy

    2013-01-01

    PtSnCu/C (with different Pt:Sn:Cu atomic ratios) and PtSn/C (50:50) electrocatalysts were prepared by borohydride (BR) and alcohol-reduction (AR) processes using H 2 PtCl 6 .6H 2 O, SnCl 2 .2H 2 O and CuCl 2 .2H 2 O as metal sources, NaBH 4 and ethylene glycol as reducing agents, 2-propanol and ethylene glycol/water as solvents and carbon black as support. In a further step, these electrocatalysts were activated by chemical (CD) and electrochemical (ED) dealloying processes through acid treatment and thin porous coating technique, respectively. These materials were characterized by energy dispersive X-ray, Xray diffraction, transmission electron microscopy, line scan energy dispersive Xray and cyclic voltammetry. Electrochemical studies for ethanol electro-oxidation were performed by cyclic voltammetry, chronoamperometry and in single Direct Ethanol Fuel Cell using Membrane Electrode Assembly (MEA). The anodic effluents were analysed by gas chromatography. The X-ray diffractograms of the as-synthesized electrocatalysts showed the typical face-centered cubic structure (FCC) of platinum and its alloys. After dealloying, the X-ray diffractograms showed that the Pt FCC structure was preserved. The crystallite sizes of the assynthesized electrocatalysts were in the range of PtSnCu/C (50:40:10) AR/ED > PtSnCu/C (50:10:40) BR/CD. PtSn/C (50:50) BR/CD, PtSnCu/C (50:10:40) BR/CD, PtSnCu/C (50:40:10) AR/CD electrocatalysts and Pt/C BASF, PtSn/C (75:25) BASF commercial electrocatalysts were tested in single Direct Ethanol Fuel Cell. The results showed the following performance for ethanol electro-oxidation: PtSn/C (50:50) BR/CD > PtSnCu/C (50:40:10) AR/CD > PtSnCu/C > PtSn/C (75:25) BASF > PtSnCu/C (50:10:40) BR/CD > Pt/C BASF. (author)

  20. The computer code EURDYN - 1 M (release 1) for transient dynamic fluid-structure interaction. Pt.1: governing equations and finite element modelling

    International Nuclear Information System (INIS)

    Donea, J.; Fasoli-Stella, P.; Giuliani, S.; Halleux, J.P.; Jones, A.V.

    1980-01-01

    This report describes the governing equations and the finite element modelling used in the computer code EURDYN - 1 M. The code is a non-linear transient dynamic program for the analysis of coupled fluid-structure systems; It is designed for safety studies on LMFBR components (primary containment and fuel subassemblies)

  1. The Origin of Sulfur Tolerance in Supported Platinum Catalysts: The Relationship between Structural and Catalytic Properties in Acidic and Alkaline Pt/LTL.

    NARCIS (Netherlands)

    Koningsberger, D.C.; Miller, J.T.

    1996-01-01

    The reactivity, structure, and sulfur tolerance is compared for platinum supported on acidic and alkaline LTL zeolite. In the absence of sulfur, EXAFS spectroscopy indicates that small metallic platinum particles of approximately 6 to 14 atoms/cluster are present. The TOF for neopentane

  2. Synthesis and high catalytic properties of mesoporous Pt nanowire array by novel conjunct template method

    Science.gov (United States)

    Zhong, Yi; Xu, Cai-Ling; Kong, Ling-Bin; Li, Hu-Lin

    2008-12-01

    A novel conjunct template method for fabricating mesoporous Pt nanowire array through direct current (DC) electrodeposition of Pt into the pores of anodic aluminum oxide (AAO) template on Ti/Si substrate from hexagonal structured lyotropic liquid crystalline phase is demonstrated in this paper. The morphology and structure of as-prepared Pt nanowire array are characterized by field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM) and X-ray diffraction (XRD). The electrocatalytic properties of Pt nanowire array for methanol are also investigated in detail. The results indicate that Pt nanowire array has the unique mesoporous structure of approximate 40-50 nm in diameter, which resulted in the high surface area and greatly improved electrocatalytic activity for methanol. The mesoporous Pt nanowire array synthesized by the new conjunct template method has a very promising application in portable fuel cell power sources.

  3. CO and ethanol electro-oxidation on Pt-Rh/C

    OpenAIRE

    Calderón-Cárdenas, Alfredo; Ortiz-Restrepo, John E.; Mancilla-Valencia, Nelson D.; Torres-Rodriguez, Gerardo A.; Lima, Fabio H. B.; Bolaños-Rivera, Alberto; Gonzalez, Ernesto R.; Lizcano-Valbuena, William H.

    2014-01-01

    In this work we studied the effect of the composition and thermal treatment in H2 of Pt-Rh/C materials with atomic ratios close to Pt:Rh 3:1, 1:1 and 1:3 and metal loading of 40 wt. %, for the COads and ethanol oxidation. Catalysts were prepared by chemical reduction with formic acid and physically characterized by energy dispersive X-rays spectroscopy (EDX), electron backscattering (EBS) and transmission electron microscopy (TEM), showing Pt:Rh ratios close to the nominals values, similar av...

  4. Structure data of elements and intermetallic phases. SubVol. B. Sulfides, selenides, tellurides. Pt. 1. Ag-Al-Cd-S. Cu-Te-Yb

    Energy Technology Data Exchange (ETDEWEB)

    Hellwege, K H; Hellwege, A M [eds.; Eisenmann, B; Schaefer, H

    1986-01-01

    Volume III/14 'Structure data of elements and intermetallic phases' is a supplement to and extension of Volume III/6. Since the publication of III/6 in 1971 (considering original papers up to 1967), the amount of new information for these substances has increased rapidly. Therefore the data had to be divided into several parts. The first part, III/14b1, is presented herewith. In Volume III/6, simple sulfides, selenides and tellurides were treated together with the intermetallic phases. The data are compiled in the same way as in III/6: for each substance the space group, lattice constants, their dependence on temperature and pressure, and other information is listed in the tables. In several cases, mostly for solid solutions, diagrams are given which are added in a separate chapter. Original papers containing a complete structure analysis are referred to in the tables. (orig./GSCH).

  5. Derivation of the liquidus surface projection for the Al-Pt-Ru system from as-cast samples

    CSIR Research Space (South Africa)

    Prins, SN

    2005-11-10

    Full Text Available -rich corner. Two new ternary phases similar to Ru12Pt15Al73 and similar to Ru18Pt28Al64 were observed near the Al-corner. The similarity to Ru12Pt15Al73 phase has a primitive cubic structure, lattice parameter of similar to 0.7721 nm, and is stable to room...

  6. Independent control of metal cluster and ceramic particle characteristics during one-step synthesis of Pt/TiO2

    DEFF Research Database (Denmark)

    Schulz, H.; Madler, L.; Strobel, R.

    2005-01-01

    Rapid quenching during flame spray synthesis of Pt/TiO2 (0-10 Wt% Pt) is demonstrated as a versatile method for independent control of support (TiO2) and noble metal (Pt)cluster characteristics. Titania grain size, morphology, crystal phase structure, and crystal size were analyzed by nitrogen ad...

  7. Exotic high activity surface patterns in PtAu nanoclusters

    KAUST Repository

    Mokkath, Junais Habeeb

    2013-05-09

    The structure and chemical ordering of PtAu nanoclusters of 79, 135, and 201 atoms are studied via a combination of a basin hopping atom-exchange technique (to locate the lowest energy homotops at fixed composition), a symmetry orbit technique (to find the high symmetry isomers), and density functional theory local reoptimization (for determining the most stable homotop). The interatomic interactions between Pt and Au are derived from the empirical Gupta potential. The lowest energy structures show a marked tendency toward PtcoreAushell chemical ordering by enrichment of the more cohesive Pt in the core region and of Au in the shell region. We observe a preferential segregation of Pt atoms to (111) facets and Au atoms to (100) facets of the truncated octahedron cluster motif. Exotic surface patterns are obtained particularly for Pt-rich compositions, where Pt atoms are being surrounded by Au atoms. These surface arrangements boost the catalytic activity by creating a large number of active sites. © 2013 American Chemical Society.

  8. Structure-Based Design of a Soluble Prefusion-Closed HIV-1 Env Trimer with Reduced CD4 Affinity and Improved Immunogenicity

    Energy Technology Data Exchange (ETDEWEB)

    Chuang, Gwo-Yu; Geng, Hui; Pancera, Marie; Xu, Kai; Cheng, Cheng; Acharya, Priyamvada; Chambers, Michael; Druz, Aliaksandr; Tsybovsky, Yaroslav; Wanninger, Timothy G.; Yang, Yongping; Doria-Rose, Nicole A.; Georgiev, Ivelin S.; Gorman, Jason; Joyce, M.Gordon; O; Dell, Sijy; Zhou, Tongqing; McDermott, Adrian B.; Mascola, John R.; Kwong, Peter D. (NIH); (FNL)

    2017-03-08

    ABSTRACT

    The HIV-1 envelope (Env) trimer is a target for vaccine design as well as a conformational machine that facilitates virus entry by transitioning between prefusion-closed, CD4-bound, and coreceptor-bound conformations by transitioning into a postfusion state. Vaccine designers have sought to restrict the conformation of the HIV-1 Env trimer to its prefusion-closed state as this state is recognized by most broadly neutralizing, but not nonneutralizing, antibodies. We previously identified a disulfide bond, I201C-A433C (DS), which stabilizes Env in the vaccine-desired prefusion-closed state. When placed into the context of BG505 SOSIP.664, a soluble Env trimer mimic developed by Sanders, Moore, and colleagues, the engineered DS-SOSIP trimer showed reduced conformational triggering by CD4. Here, we further stabilize DS-SOSIP through a combination of structure-based design and 96-well-based expression and antigenic assessment. From 103 designs, we identified one, named DS-SOSIP.4mut, with four additional mutations at the interface of potentially mobile domains of the prefusion-closed structure. We also determined the crystal structures of DS-SOSIP.4mut at 4.1-Å resolution and of an additional DS-SOSIP.6mut variant at 4.3-Å resolution, and these confirmed the formation of engineered disulfide bonds. Notably, DS-SOSIP.4mut elicited a higher ratio of tier 2 autologous titers versus tier 1 V3-sensitive titers than BG505 SOSIP.664. DS-SOSIP.4mut also showed reduced recognition of CD4 and increased thermostability. The improved antigenicity, thermostability, and immunogenicity of DS-SOSIP.4mut suggest utility as an immunogen or a serologic probe; moreover, the specific four alterations identified here, M154, M300, M302, and L320 (4mut), can also be transferred to other HIV-1 Env trimers of interest to improve their properties.

    IMPORTANCEOne approach to elicit broadly neutralizing antibodies against HIV-1 is to stabilize the

  9. Analytical procedures. Pt. 1

    International Nuclear Information System (INIS)

    Weber, G.

    1985-01-01

    In analytical procedures (Boole procedures) there is certain to be a close relationship between the safety assessment and reliability assessment of technical facilities. The paper gives an overview of the organization of models, fault trees, the probabilistic evaluation of systems, evaluation with minimum steps or minimum paths regarding statistically dependent components and of systems liable to suffer different kinds of outages. (orig.) [de

  10. High-coercivity FePt sputtered films

    International Nuclear Information System (INIS)

    Luong, N.H.; Hiep, V.V.; Hong, D.M.; Chau, N.; Linh, N.D.; Kurisu, M.; Anh, D.T.K.; Nakamoto, G.

    2005-01-01

    Fe 56 Pt 44 thin films have been prepared by RF magnetron sputtering on Si substrates. The substrate temperature was kept at 350 deg C. The X-ray diffraction patterns of as-deposited FePt films exhibited a disordered structure. Annealing of the films at 650-685 deg C for 1 h yielded an ordered L1 0 phase with FCT structure. The high value for coercivity H C of 17 kOe was obtained at room temperature for the 68 nm thick film annealed at 685 deg C. The hard magnetic properties as well as grain structure of the films strongly depend on the annealing conditions

  11. Geochemical modelling. Pt.1, Pt.2

    International Nuclear Information System (INIS)

    Skytte Jensen, B.; Jensen, H.; Pearson, F.J.

    1992-01-01

    This work is carried out under cost-sharing contract with the European Atomic Energy Community in the framework of its fourth research programme on radioactive waste management and radioactive waste storage. This final report is subdivided into two parts. In the first part, JENSEN, a computer code for the computation of chemical equilibria in aqueous systems, describes the structure, function and use of a new geochemical computer program intended for PC's. The program, which is written in Turbo Pascal, version 4, is fundamentally similar to most other geochemical programs, but combines in one program several of the merits these programs have. The intention has been to make an advanced program, which also should be user friendly and fast, and to attain this several new algorithms have been developed and implemented. The program has a built-in database mainly based on the CHEMVAL compilation containing data for 395 soluble species and 149 minerals. The program can find equilibria in the presence of all or some of these soluble species, under conditions or fixed or floating pH and / or Redox potential. The program by itself eliminates a bad guess of a candidate for precipitation. In the present version, the program can identify which minerals and how much of them there will be formed when equilibrium is established. In the second part, LITTLE JOE, an expert system to support geochemical modelling, describes the construction of a minor expert system for use in the evaluation of analytical data for the composition of ground waters from limestone formation. Although the example given is rather limited in scope, the application of the expert system for the evaluation of the analytical data clearly demonstrates the mature expert knowledge imbedded in the system which is contrasted with the uncritical acceptance of analytical or theoretical data. With the overall neglect of ion-exchange and the formation of solid solutions in geochemical calculations, geochemistry is

  12. A novel binary Pt 3Te x/C nanocatalyst for ethanol electro-oxidation

    Science.gov (United States)

    Huang, Meihua; Wang, Fei; Li, Lirong; Guo, Yonglang

    The Pt 3Te x/C nanocatalyst was prepared and its catalytic performance for ethanol oxidation was investigated for the first time. The Pt 3Te/C nanoparticles were characterized by an X-ray diffractometer (XRD), transmission electron microscope (TEM) and energy dispersive X-ray spectroscopy equipped with TEM (TEM-EDX). The Pt 3Te/C catalyst has a typical fcc structure of platinum alloys with the presence of Te. Its particle size is about 2.8 nm. Among the synthesized catalysts with different atomic ratios, the Pt 3Te/C catalyst has the highest anodic peak current density. The cyclic voltammograms (CV) show that the anodic peak current density for the Pt 3Te/C, commercial PtRu/C and Pt/C catalysts reaches 1002, 832 and 533 A g -1, respectively. On the current-time curve, the anodic current on the Pt 3Te/C catalyst was higher than those for the catalysts reported. So, these findings show that the Pt 3Te/C catalyst has uniform nanoparticles and the best activity among the synthesized catalysts, and it is better than commercial PtRu/C and Pt/C catalysts for ethanol oxidation at room temperature.

  13. SiO2 stabilized Pt/C cathode catalyst for proton exchange membrane fuel cells

    International Nuclear Information System (INIS)

    Zhu Tong; Du Chunyu; Liu Chuntao; Yin Geping; Shi Pengfei

    2011-01-01

    This paper describes the preparation of SiO 2 stabilized Pt/C catalyst (SiO 2 /Pt/C) by the hydrolysis of alkoxysilane, and examines the possibility that the SiO 2 /Pt/C is used as a durable cathode catalyst for proton exchange membrane fuel cells (PEMFCs). TEM and XRD results revealed that the hydrolysis of alkoxysilane did not significantly change the morphology and crystalline structure of Pt particles. The SiO 2 /Pt/C catalyst exhibited higher durability than the Pt/C one, due to the facts that the silica layers covered were beneficial for reducing the Pt aggregation and dissolution as well as increasing the corrosion resistance of supports, although the benefit of silica covering was lower than the case of Pt/CNT catalyst. Also, it was observed that the activity of the SiO 2 /Pt/C catalyst for the oxygen reduction reaction was somewhat reduced compared to the Pt/C one after the silica covering. This reduction was partially due to the low oxygen kinetics as revealed by the rotating-disk-electrode measurement. Silica covering by hydrolysis of only 3-aminopropyl trimethoxysilane is able to achieve a good balance between the durability and activity, leading to SiO 2 /Pt/C as a promising cathode catalyst for PEMFCs.

  14. Antisite-defect-induced surface segregation in ordered NiPt alloy

    DEFF Research Database (Denmark)

    Pourovskii, L.V.; Ruban, Andrei; Abrikosov, I.A.

    2003-01-01

    alloys corresponds to the (111) truncation of the bulk L1(0) ordered structure. However, the (111) surface of the nickel deficient Ni49Pt51 alloy is strongly enriched by Pt and should exhibit the pattern of the 2x2 structure. Such a drastic change in the segregation behavior is due to the presence...

  15. Ferromagnetic alloy material CoFeC with high thermal tolerance in MgO/CoFeC/Pt structure and comparable intrinsic damping factor with CoFeB

    Science.gov (United States)

    Chen, Shaohai; Zhou, Jing; Lin, Weinan; Yu, Jihang; Guo, Rui; Poh, Francis; Shum, Danny; Chen, Jingsheng

    2018-02-01

    The thermal tolerance and perpendicular magnetic anisotropy (PMA) of ferromagnetic alloy Co40Fe40C20 in the structure MgO/CoFeC/Pt (or Ta) were investigated and compared with the commonly used CoFeB alloy. It is found that the PMA of CoFeC with {{K}i,CoFeC}=2.21 erg c{{m}-2} , which is 59% higher than that of CoFeB, can be obtained after proper post-annealing treatment. Furthermore, CoFeC alloy provides better thermal tolerance to temperature of 400 °C than CoFeB. The studies on ferromagnetic resonance show that the intrinsic damping constant α in of Co40Fe40C20 alloy is 0.0047, which is similar to the reported value of 0.004 for Co40Fe40B20 alloy. The comprehensive comparisons indicate that CoFeC alloy is a promising candidate for the application of the integration of spin torque transfer magnetic random access memory with complementary metal-oxide semiconductor processes.

  16. High efficiency orange-red phosphorescent organic light emitting diodes based on a Pt(II)-pyridyltriazolate complex from a structure optimized for charge balance and reduced efficiency roll-off

    Energy Technology Data Exchange (ETDEWEB)

    Li, Minghang; Lin, Ming-Te; Shepherd, Nigel D. [Department of Material Science and Engineering, University of North Texas, Denton, Texas (United States); Chen, Wei-Hsuan; McDougald, Roy Jr.; Arvapally, Ravi; Omary, Mohammad [Department of Chemistry, University of North Texas, Denton, Texas (United States)

    2012-01-15

    We report a high power efficiency (PE) of 44.7 {+-} 0.5 lm/W, high external quantum efficiency (EQE) of 19.7 {+-} 0.1% at 500 Cd/m{sup 2}, and efficiency roll-off of only 4% of the peak value at a useful brightness of 1000 Cd/m{sup 2} from orange-red emitting, organic light emitting diodes featuring 1,1-bis[(di-4-tolylamino)phenyl]cyclohexane (TAPC) as the hole transport layer/electron blocking layer, an emissive layer consisting of 65% bis[3,5-bis(2-pyridyl)-1,2,4-triazolato]platinum(II) (Pt(ptp){sub 2}) doped into 4,4'-bis(carbazol-9-yl)triphenylamine (CBP), and 1,3,5-tris(phenyl-2-benzimidazolyl)-benzene (TPBI) as the electron transport layer (ETL). Based on a comparison of these structures with devices that did not incorporate an electron/exciton blocker and devices featuring N,N'-dicarbazolyl-3,5-benzene (mCP) as the electron/exciton blocking layer, we ascribe the high efficiency and low efficiency roll-off to better charge balance, and enhanced confinement of excitons and the recombination zone to the emissive layer. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  17. Pt/C Fuel Cell Catalyst Degradation

    DEFF Research Database (Denmark)

    Zana, Alessandro

    This thesis investigates the degradation behavior of Pt/C catalysts under simulated automotive conditions. By using the “tool box” synthesis method the Pt loading has been changed from low to high Pt loadings, therefore permitting to study the role of Pt on the degradation of high surface area (H...

  18. Low Pt content Pt-Ru-Ir-Sn quaternary catalysts for anodic methanol oxidation in DMFC

    Energy Technology Data Exchange (ETDEWEB)

    Neburchilov, Vladimir; Wang, Haijiang; Zhang, Jiujun [Institute for Fuel Cell Innovation, National Research Council (Canada)

    2007-07-15

    In this communication we report our research work on low Pt content Pt-Ru-Ir-Sn quaternary catalysts for use in DMFC anodes. The carbon-supported quaternary metal alloy catalyst was synthesized according to the solution reduction method and was deposited onto a carbon fiber paper or a carbon aerogel nanofoam to form the anode for direct methanol fuel cells. The Pt loading of the electrode is 0.1 mg/cm{sup 2}. The testing results from a three-electrode electrochemical cell show that the simultaneous use of higher Ir (25-35 wt.%) and Sn (10 wt.%) content gives satisfactory stability and higher activity for methanol oxidation than the commercially available E-TEK anode (80%[0.5Pt 0.5Ru]/C on carbon cloth). Energy dispersive X-ray spectroscopy (EDX), X-ray diffraction (XRD), scanning electron microscope (SEM), and Bruner-Emmett-Teller method (BET) measurements were carried out to characterize the composition, structure, morphology, and surface area of the developed catalysts. (author)

  19. Ge 3P 6Si 2O 25: A cage structure closely related to the intersecting tunnel structure KMo 3P 6Si 2O 25

    Science.gov (United States)

    Leclaire, A.; Raveau, B.

    1988-08-01

    A germanosilicophosphate Ge 3P 6Si 2O 25 has been isolated. Its structure was solved from a single-crystal study in the space group P overline31c . Its cell parameters are a = b = 7.994(1) Å, c = 16.513(2) Å, Z = 2. The refinement by full-matrix least-squares calculations leads to R = 0.043 with 686 independent reflections. The structure of this oxide is built up from corner-sharing PO 4 and SiO 4 tetrahedra and GeO 6 octahedra. One observes a feature common to several silicophosphates: the presence of the structural unit P 6Si 2O 25 built up from a disilicate group sharing its corners with six PO 4 tetrahedra. The structural relationships between this oxide and the silicophosphates AMo 3P 6Si 2O 25 and Si 3P 6Si 2O 25 (or Ge 3P 6 Ge 2O 25) are described.

  20. Polysaccharides of algae. Pt. 37. Characterization of hybrid structure of substituted agarose from Polysiphonia morrowii (Rhodophyta, Rhodomelaceae) using. beta. -agarase and /sup 13/C-NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Usov, A.I.; Ivanova, E.G.

    1987-09-01

    Structure of gel-forming galactan from Polysiphonia morrowii was analysed using bacterial ..beta..-agarase and /sup 13/C-nuclear magnetic resonance (/sup 13/C-NMR) spectroscopy. The polysaccharide was shown to contain: a) blocks composed of agarobiose residues, partly 6-O-methylated and 6-sulfated, which are sensitive to enzymolysis; b) extended blocks composed of agarobiose 6-sulfate residues, which are resistant to ..beta..-agarase action. The latter blocks contain also ..beta..-D-galactopyranosyl-(1->4)-..cap alpha..-L-galactopyranose 6.6'-disulfate residues (biogenetic precursors of agarobiose 6-sulfate), which are hardly detectable by /sup 13/C-NMR spectrum of the starting polysaccharide. Action of alkali on the enzyme-resistant fraction afforded a polysaccharide preparation having /sup 13/C-NMR spectrum of agarose 6-sulfate.

  1. CTAB assisted microwave synthesis of ordered mesoporous carbon supported Pt nanoparticles for hydrogen electro-oxidation

    International Nuclear Information System (INIS)

    Zhou, Jian-Hua; He, Jian-Ping; Ji, Ya-Jun; Dang, Wang-Juan; Liu, Xiao-Lei; Zhao, Gui-Wang; Zhang, Chuan-Xiang; Zhao, Ji-Shuang; Fu, Qing-Bin; Hu, Huo-Ping

    2007-01-01

    Mesoporous carbon with ordered hexagonal structure derived from the co-assembly of triblock copolymer F127 and resol was employed as the carbon support of Pt catalysts for hydrogen electro-oxidation. Structural characterizations revealed that the mesoporous carbon exhibited large surface area and uniform mesopores. The Pt nanoparticles supported on the novel mesoporous carbon were fabricated by a facile CTAB assisted microwave synthesis process, wherein CTAB was expected to improve the wettability of carbon support as well as the dispersion of Pt nanoparticles. X-ray diffraction and transmission electron microscopy were applied to characterize the Pt catalysts. It was found that the Pt nanoparticles were uniform in size and highly dispersed on the mesoporous carbon supports. The cyclic voltammograms in sulfuric acid demonstrated that the electrochemical active surface area of Pt catalysts prepared with CTAB was two times than that without CTAB

  2. Methanol oxidation catalysis and substructure of PtRu bimetallic nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Nitani, Hiroaki; Nakagawa, Takashi; Ono, Takahiro; Honda, Yusuke; Koizumi, Akiko; Seino, Satoshi; Yamamoto, Takao A. [Graduate School of Engineering, Osaka University, 2-1 Yamada-oka, Suita, Osaka 565-0871 (Japan); Daimon, Hideo; Kurobe, Yukiko [Development and Technology Division, Hitachi Maxell Ltd., 6-20-1 Kinunodai, Tsukubamirai, Ibaraki 300-2496 (Japan)

    2007-07-15

    Catalytic material of PtRu nanoparticles supported on carbon (PtRu/C) for direct methanol fuel cells was synthesized by a polyol reduction method. Addition of phosphorus was effective for downsizing PtRu particles and improving their catalytic activity. The activity obtained was six times of that of a commercial catalysis. The samples were analyzed by techniques of X-ray absorption fine structure (XAFS) at Pt L{sub III}-edge and Ru K-edge, transmission electron microscope (TEM), X-ray diffraction (XRD) and X-ray fluorescence (XRF). These results indicated a core-shell structure consisting of a Pt-rich core and Ru-rich shell. By examining coordination numbers determined by XAFS analysis, we found a clear correlation between the catalytic activity and the Pt-Ru atomic pair frequency occurring on the particle surface, which supports the 'bi-functional mechanism'. (author)

  3. Topotactic reduction as a route to new close-packed anion deficient perovskites: structure and magnetism of 4H-BaMnO(2+x).

    Science.gov (United States)

    Hadermann, Joke; Abakumov, Artem M; Adkin, Josephine J; Hayward, Michael A

    2009-08-05

    The anion-deficient perovskite 4H-BaMnO(2+x) has been obtained by a topotactic reduction, with LiH, of the hexagonal perovskite 4H-BaMnO(3-x). The crystal structure of 4H-BaMnO(2+x) was solved using electron diffraction and X-ray powder diffraction and further refined using neutron powder diffraction (S.G. Pnma, a = 10.375(2) A, b = 9.466(2) A, c = 11.276(3) A, at 373 K). The orthorhombic superstructure arises from the ordering of oxygen vacancies within a 4H (chch) stacking of close packed c-type BaO(2.5) and h-type BaO(1.5) layers. The ordering of the oxygen vacancies transforms the Mn(2)O(9) units of face-sharing MnO(6) octahedra into Mn(2)O(7) (two corner-sharing tetrahedra) and Mn(2)O(6) (two edge-sharing tetrahedra) groups. The Mn(2)O(7) and Mn(2)O(6) groups are linked by corner-sharing into a three-dimensional framework. The structures of the BaO(2.5) and BaO(1.5) layers are different from those observed previously in anion-deficient perovskites providing a new type of order pattern of oxygen atoms and vacancies in close packed structures. Magnetization measurements and neutron diffraction data reveal 4H-BaMnO(2+x) adopts an antiferromagnetically ordered state below T(N) approximately 350 K.

  4. Magnetic phases in Pt/Co/Pt films induced by single and multiple femtosecond laser pulses

    Energy Technology Data Exchange (ETDEWEB)

    Kisielewski, J., E-mail: jankis@uwb.edu.pl; Kurant, Z.; Sveklo, I.; Tekielak, M.; Maziewski, A. [Faculty of Physics, University of Białystok, Ciołkowskiego 1L, 15-245 Białystok (Poland); Wawro, A. [Institute of Physics, Polish Academy of Sciences, al. Lotników 32/46, 02-668 Warsaw (Poland)

    2016-05-21

    Ultrathin Pt/Co/Pt trilayers with initial in-plane magnetization were irradiated with femtosecond laser pulses. In this way, an irreversible structural modification was introduced, which resulted in the creation of numerous pulse fluence-dependent magnetic phases. This was particularly true with the out-of-plane magnetization state, which exhibited a submicrometer domain structure. This effect was studied in a broad range of pulse fluences up to the point of ablation of the metallic films. In addition to this single-pulse experiment, multiple exposure spots were also investigated, which exhibited an extended area of out-of-plane magnetization phases and a decreased damage threshold. Using a double exposure with partially overlapped spots, a two-dimensional diagram of the magnetic phases as a function of the two energy densities was built, which showed a strong inequality between the first and second incoming pulses.

  5. Magnetic phases in Pt/Co/Pt films induced by single and multiple femtosecond laser pulses

    International Nuclear Information System (INIS)

    Kisielewski, J.; Kurant, Z.; Sveklo, I.; Tekielak, M.; Maziewski, A.; Wawro, A.

    2016-01-01

    Ultrathin Pt/Co/Pt trilayers with initial in-plane magnetization were irradiated with femtosecond laser pulses. In this way, an irreversible structural modification was introduced, which resulted in the creation of numerous pulse fluence-dependent magnetic phases. This was particularly true with the out-of-plane magnetization state, which exhibited a submicrometer domain structure. This effect was studied in a broad range of pulse fluences up to the point of ablation of the metallic films. In addition to this single-pulse experiment, multiple exposure spots were also investigated, which exhibited an extended area of out-of-plane magnetization phases and a decreased damage threshold. Using a double exposure with partially overlapped spots, a two-dimensional diagram of the magnetic phases as a function of the two energy densities was built, which showed a strong inequality between the first and second incoming pulses.

  6. Effect of gold subsurface layer on the surface activity and segregation in Pt/Au/Pt{sub 3}M (where M = 3d transition metals) alloy catalyst from first-principles

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Chang-Eun [Fuel Cell Research Center, Korea Institute of Science and Technology (KIST), 39-1 Hawolgok, Seongbuk-gu, Seoul 136-791 (Korea, Republic of); Global E3 Institute and Department of Materials Science and Engineering, Yonsei University, 120-749 Seoul (Korea, Republic of); Lim, Dong-Hee [Fuel Cell Research Center, Korea Institute of Science and Technology (KIST), 39-1 Hawolgok, Seongbuk-gu, Seoul 136-791 (Korea, Republic of); Department of Environmental Engineering, Chungbuk National University, 1 Chungdae-ro, Seowon-Gu, Cheongju, Chungbuk 362-763 (Korea, Republic of); Jang, Jong Hyun; Kim, Hyoung Juhn; Yoon, Sung Pil; Han, Jonghee; Nam, Suk Woo [Fuel Cell Research Center, Korea Institute of Science and Technology (KIST), 39-1 Hawolgok, Seongbuk-gu, Seoul 136-791 (Korea, Republic of); Hong, Seong-Ahn [Fuel Cell Research Center, Korea Institute of Science and Technology (KIST), 39-1 Hawolgok, Seongbuk-gu, Seoul 136-791 (Korea, Republic of); Department of Advanced Materials Chemistry, Korea University, Sejong-city 339-700 (Korea, Republic of); Soon, Aloysius, E-mail: aloysius.soon@yonsei.ac.kr, E-mail: hchahm@kist.re.kr [Global E3 Institute and Department of Materials Science and Engineering, Yonsei University, 120-749 Seoul (Korea, Republic of); Ham, Hyung Chul, E-mail: aloysius.soon@yonsei.ac.kr, E-mail: hchahm@kist.re.kr [Fuel Cell Research Center, Korea Institute of Science and Technology (KIST), 39-1 Hawolgok, Seongbuk-gu, Seoul 136-791 (Korea, Republic of); Clean Energy and Chemical Engineering, University of Science and Technology (UST), 217 Gajungro, Yuseong-gu, Daejeon 305-333 (Korea, Republic of)

    2015-01-21

    The effect of a subsurface hetero layer (thin gold) on the activity and stability of Pt skin surface in Pt{sub 3}M system (M = 3d transition metals) is investigated using the spin-polarized density functional theory calculation. First, we find that the heterometallic interaction between the Pt skin surface and the gold subsurface in Pt/Au/Pt{sub 3}M system can significantly modify the electronic structure of the Pt skin surface. In particular, the local density of states projected onto the d states of Pt skin surface near the Fermi level is drastically decreased compared to the Pt/Pt/Pt{sub 3}M case, leading to the reduction of the oxygen binding strength of the Pt skin surface. This modification is related to the increase of surface charge polarization of outmost Pt skin atoms by the electron transfer from the gold subsurface atoms. Furthermore, a subsurface gold layer is found to cast the energetic barrier to the segregation loss of metal atoms from the bulk (inside) region, which can enhance the durability of Pt{sub 3}M based catalytic system in oxygen reduction condition at fuel cell devices. This study highlights that a gold subsurface hetero layer can provide an additional mean to tune the surface activity toward oxygen species and in turn the oxygen reduction reaction, where the utilization of geometric strain already reaches its practical limit.

  7. Effect of gold subsurface layer on the surface activity and segregation in Pt/Au/Pt3M (where M = 3d transition metals) alloy catalyst from first-principles.

    Science.gov (United States)

    Kim, Chang-Eun; Lim, Dong-Hee; Jang, Jong Hyun; Kim, Hyoung Juhn; Yoon, Sung Pil; Han, Jonghee; Nam, Suk Woo; Hong, Seong-Ahn; Soon, Aloysius; Ham, Hyung Chul

    2015-01-21

    The effect of a subsurface hetero layer (thin gold) on the activity and stability of Pt skin surface in Pt3M system (M = 3d transition metals) is investigated using the spin-polarized density functional theory calculation. First, we find that the heterometallic interaction between the Pt skin surface and the gold subsurface in Pt/Au/Pt3M system can significantly modify the electronic structure of the Pt skin surface. In particular, the local density of states projected onto the d states of Pt skin surface near the Fermi level is drastically decreased compared to the Pt/Pt/Pt3M case, leading to the reduction of the oxygen binding strength of the Pt skin surface. This modification is related to the increase of surface charge polarization of outmost Pt skin atoms by the electron transfer from the gold subsurface atoms. Furthermore, a subsurface gold layer is found to cast the energetic barrier to the segregation loss of metal atoms from the bulk (inside) region, which can enhance the durability of Pt3M based catalytic system in oxygen reduction condition at fuel cell devices. This study highlights that a gold subsurface hetero layer can provide an additional mean to tune the surface activity toward oxygen species and in turn the oxygen reduction reaction, where the utilization of geometric strain already reaches its practical limit.

  8. Electrochemical fabrication of clean dendritic Au supported Pt clusters for electrocatalytic oxidation of formic acid

    International Nuclear Information System (INIS)

    Xia Yue; Liu Jun; Huang Wei; Li Zelin

    2012-01-01

    Highlights: ► A smooth Au surface was rebuilt into clean dendrite via square wave potential pulses. ► It was performed in blank H 2 SO 4 solution without Au(III) species and other additives. ► Dendritic Au provided certain advantage for dispersing Pt due to its unique structure. ► Pt-decorated dendritic Au demonstrated high activity for the HCOOH electrooxidation. - Abstract: We report here the fabrication of clean dendritic gold (DG) directly on a smooth Au electrode via square wave potential pulses (SWPPs) in a blank H 2 SO 4 solution containing no Au(III) species and additives. The effects of potential range, frequency and duration time of SWPPs and H 2 SO 4 concentration on the construction of DG were systematically investigated. A possible mechanism was proposed to explain the growth of DG. The whole process was templateless and surfactantless, and therefore effectively avoided possible contaminations that occurred in other synthetic routes. Further, the prepared DG electrode functioned as a scaffold to support electrodeposited Pt clusters, producing Pt-decorated DG (Pt-DG) electrodes. The electrocatalytic properties of Pt-DG electrodes with various Pt loadings were examined for the oxidation of formic acid. The low Pt loading Pt-DG demonstrated different electrochemical behavior from that on Pt-decorated smooth gold (Pt-SG) and on Pt-decorated gold nanoparticles because there were more defect sites like steps and edges on the DG surface. Ensemble effect, as well as electronic effect, accounts for the improved electrocatalytic activity of low Pt loading Pt-DG.

  9. Magnesium and cadmium in covalently-bonded Lonsdaleite networks: Synthesis, structure, and conding of AETMg{sub 2} and SrTCd{sub 2} (AE = Ca, Sr; T = Pd, Ag, Pt, Au)

    Energy Technology Data Exchange (ET