Science.gov (United States)

... Both magnesium and aluminium phosphides are therefore potentially more efficient than either calcium or sodium phosphide. ...

Science.gov (United States)

... where the total palladium concentration equals that of silicon, the concentrations of palladium associated with various palladium silicides (Pd(x)Si , ...

Science.gov (United States)

... at compositions below -AlP 4 the films were still unstable, hydrolysing in room air, and the long term stability of higher aluminium phosphides is in ...

Science.gov (United States)

indications of the formation of palladium silicides. 2, 4. It has been reported .... At room temperature, palladium silicides formed in a relatively narrow interface ...

Science.gov (United States)

Potential exposure of workers to phosphide was examined during an in-depth industrial hygiene survey at the Bunge Corporation, in Kansas City, Kansas, where the gas was used as a grain fumigant. During the study, 14 men were employed at the facility. Tablets of aluminum phosphide were added to the grain mass for fumigation. General dilution ventilation resulted from outside air entering the work areas through ventilation louvers; there was also a local-exhaust ventilation system. Air samples revealed that, when the fumigant dispensers were being filled, workers in the area had significant exposure. At the time of the survey the relative humidity in the facility was high, permitting the reaction to phosphide to occur more readily. The levels of phosphide and respirable dust were reasonably low in the elevators, suggesting that the ventilation system was adequate. The author recommends that workers ...

Science.gov (United States)

An in/depth industrial hygiene survey of exposures to phosphine during the use of aluminum phosphide was conducted as part of a survey on exposure to grain fumigants. Area monitoring and breathing-zone sampling for phosphine were conducted during the addition of aluminum phosphide to grain during turning operations; source samples and peak personal exposures were also analyzed. Major sources of personal exposure included the escape of air from the bin headspace during filling with treated grain, filling and emptying of the phosphide pellet dispenser, and infiltration from the treated grain bin and from the pellet dispenser itself into adjacent air space. Relatively good dust control was indicated by the total dust samples collected during the survey. Measures recommended by the author are in the report.

International Nuclear Information System (INIS)

The composite wave variational version of the APW (augmented plane wave) method is used to obtain the electronic band structure of the compounds boron phosphide and boron arsenide at the high symmetry points #GAMMA#, X, and L. The tight binding interpolation scheme of Slater and Koster is used to calculate the rest of the band structure. The results show that both these materials are indirect band gap semiconductors. The density of states, and the imaginary part of the dielectric constant is also calculated. The theoretical results are compared with the reported experimental and theoretical data. (author).

Science.gov (United States)

A metallization scheme has been developed which allows selective plating of silicon solar cell surfaces. The system is comprised of three layers. Palladium, through the formation of palladium silicide at 300/sup 0/C in nitrogen, makes ohmic contact to the silicon surface. Nickel, plated on top of the palladium silicide layer, forms a solderable interface. Lead-tin solder on the nickel provides conductivity and allows a convenient means for interconnection of cells. To apply this metallization, three chemical plating baths are employed. Palladium is deposited with an immersion palladium solution and an electroless palladium solution, and nickel is deposited with an electroless nickel solution. Solder is applied with a molten solder dip. Extensive development work has been performed to achieve an effective immersion palladium solution ...

International Nuclear Information System (INIS)

A series of hydrogenation/dehydrogenation cycles have been performed on palladium wire samples, stressed by a constant mechanical tension, in order to investigate the changes in electrical and mechanical properties. A large increase of palladium electrical resistivity has been reported due to the combined effects of the production of defects linked to hydrogen insertion into the host lattice and the stress applied to the sample. An increase of the palladium sample strain due to hydrogenation/dehydrogenation cycles in ????? phase transitions is observed compared to the sample subjected to mechanical tension only. The loss of initial metallurgical properties of the sample occurs already after the first hydrogen cycle, i.e. a displacement from the initial metallic behavior (increase of the resistivity and decrease of thermal coefficient of resistivity) to a worse one occurs already after the first hydrogen cycle. A linear ...

Science.gov (United States)

An in-depth industrial hygiene survey was conducted to evaluate worker exposures to phosphine during fumigation of grain at the Early and Daniel Co. grain elevator in Louisville, Kentucky. Stored grain was fumigated using aluminum phosphide. Aluminum-phosphide pellets were also added directly to the grain by the blender as it was poured into the storage containers. Local exhaust ventilation was used at points in the grain-moving system where grain dust was generated. Air samples were taken during full-shift periods at the breathing zone of the weighmaster, two bin floormen, and the blender. Area monitoring samples were also taken. If the operators spend considerable time in the vicinity of a bin which is being filled with grain, there is a likelihood of far greater exposure levels being noted. According to the author, further studies of the use of phosphide products at other elevators should be conducted to determine the ...

British Library Electronic Table of Contents (United Kingdom)

Fatalities resulted from aluminium phosphide (ALP) intoxication in completely healthy children with no preceded clinical sings or symptoms were presented. Data regarding circumstances, autopsy reports, histopathological examination, toxicological investigation, and police enquiries were also collected and evaluated. The affected children were females, and 6-16 years old. They were completely healthy and died suddenly in relation to some physical activities such as running, walking, and bathing, without any prior complain. The viscera showed intense congestion with moderate to severe pulmonary edema. The cause of the sudden termination of life in the reported cases is mostly cardiac ones. Physical exertion may precipitate death due to increased cardiac stress, increased oxygen demand, and b...

British Library Electronic Table of Contents (United Kingdom)

Abstract Electronic structures of two representative zigzag and armchair models of aluminum phosphide nanotube (AlPNT) were investigated by density functional theory calculations. The structures were optimized and the bond lengths, tip diameters, band gaps, and dipole moments were calculated. Moreover, the quadrupole coupling constants (CQ) were calculated for the Al-27 atoms of the optimized structures. The same values of AlP bond lengths were calculated for both models. The larger value of band gap of armchair model than the zigzag model indicated the stronger dielectric property for the former model. The values of CQ(27Al) were the largest for the Al atoms placed at the tips of both zigzag and armchair AlPNT than other Al atoms, which could reveal dominant role of the Al atoms placed at...

International Nuclear Information System (INIS)

The application of medium energy ion scattering in combination with channelling and blocking to the study of the initial stages of palladium silicide formation is discussed. After a brief description of the experimental arrangement and method, the effects on the Rutherford backscattering spectra of depositing small quantities of palladium on clean Si(111) are reported. The uniformity and thermal stability of thin palladium silicide films grown at room temperature were measured. Finally, channelling and blocking results were used to carry out a structural analysis of thin epitaxial Pd_2Si layers. (Auth.).

International Nuclear Information System (INIS)

... um. Water retention capacity is in the range from 40 to 46 %. Dowex

Science.gov (United States)

The formation of palladium silicides near the interface may decrease hydrogen solubility at the effective metal/semiconductor ...

British Library Electronic Table of Contents (United Kingdom)

Microcrystalline-Si thin-film transistors (?C-Si TFTs) formed by using the source/drain contact electrode of self-aligned palladium silicide have been investigated. Both the self-aligned palladium silicided scheme and the previous top-gate staggered structure employ two-mask process steps for fabricating ?C-Si TFTs. However, the self-aligned palladium silicided scheme would cause better device characteristics than the top-gate staggered structure, primarily due to more carrier tunneling. For a gate length of 2 ?m, as compared to the top-gate staggered scheme, this silicided scheme can result in a 40% improvement of on-state current. In addition, as the gate length is reduced to 1 ?m, considerable short-channel effect is caused for both the device schemes.

Science.gov (United States)

Palladium silicides (Pd(x)Si) formed at a broadened interface after annealing, but a significant layer of alloy film is still free of silicon and carbon. ...

British Library Electronic Table of Contents (United Kingdom)

In a suicide committed using aluminium phosphide (AlP) the liberated toxic phosphine gas was detected in post-mortem specimens using a headspace gas chromatographic procedure with a nitrogen-phosphorous detector (HS-GC/NPD). At autopsy a direct sampling into airtight headspace vials for a later analysis is recommended. AlP has to be considered a potent pesticide and its use and availability should be restricted as much as possible.

Science.gov (United States)

A general palladium-catalyzed carbonylative Sonogashira coupling of benzyl chlorides with terminal acetylenes has been established. Depending on the alkyne 1,4-diaryl-3-butyn-2-ones or substituted furanones are obtained in moderate to good yields. Best catalytic performance is achieved applying a mixed Pd(PPh(3))Cl(2)/P(OPh)(3) catalyst system. PMID:21968528

International Nuclear Information System (INIS)

The concept of nanocrystal conversion chemistry, which involves the use of pre-formed nanoparticles as templates for chemical transformation into derivative solids, has emerged as a powerful approach for designing the synthesis of complex nanocrystalline solids. The general strategy exploits established synthetic capabilities in simple nanocrystal systems and uses these nanocrystals as templates that help to define the composition, crystal structure, and morphology of product nanocrystals. This article highlights key examples of 'conversion chemistry' approaches to the synthesis of nanocrystalline solids using a variety of techniques, including galvanic replacement, diffusion, oxidation, and ion exchange. The discussion is organized according to classes of solids, highlighting the diverse target systems that are accessible using similar chemical concepts: metals, oxides, chalcogenides, phosphides, alloys, intermetallic compounds, sulfides, and nitrides. - Graphical ...

British Library Electronic Table of Contents (United Kingdom)

Bilayers of pure palladium and gold films were evaporated alternatively on (100) and (111) monocrystalline silicon substrates. After annealing, in a vacuum furnace from 100 to 650degreeC during 30min, the growth sequence of the Pd2Si and PdSi phases that evolved as the result of the diffusion reaction was examined by means of Rutherford backscattering spectrometry (RBS), X-ray diffraction (XRD), whereas the surface morphology was investigated by scanning electron microscopy (SEM) technique. The effect of the intermediate gold layer is investigated in order to test its effectiveness as barrier for Cu and Si atoms interdiffusion and its influence on the morphology of the formed palladium silicides. The effect of substrate orientation on the palladium silicides growth and formation was also e...

Energy Technology Data Exchange (ETDEWEB)

The purpose of the invention is a process for the production of a particularly finely divided, homogeneous transition metal phosphide and transition metal chalcogenide of Daltonian stochiometry by the conversion of at least one powder transition metal or a transition metal alloy with phosphorus or with a chalcogen at raised temperature, which is characterized by the fact that the conversion is carried out in the presence of at least one inert finely divided auxiliary material which is soluble in water and does not sinter together at the reaction temperature, and that the conversion produce removes the auxiliary material. Even relatively small quantities of the auxiliary material are sufficient to ensure rapid and homogeneous conversion of the reaction partners to the reaction product having a large surface. A ratio of 1 part by volume of a mixture of a transition metal and phosphorus or chalcogen to 1 part by volume of finely divided auxiliary material proved ...

Science.gov (United States)

A Pd(0)-catalyzed intramolecular Heck-type reaction of oxime ether has been developed, providing convenient access to heterocyclic oximes. PMID:21964259

International Nuclear Information System (INIS)

Palladium/magnetite nanoparticulate catalysts were developed for efficient elimination of halogenated organic pollutants from contaminated wastewater. Particle recovery from treated water can be ensured via magnetic separation. However, in worst-case scenarios, this catalyst removal step might fail, leading to particle release into the environment. Therefore, a toxicological study was conducted to investigate the impact of both pure magnetite and palladium/magnetite nanoparticle exposure upon human skin (HaCaT) and human colon (CaCo-2) cell lines and a cell line from rainbow trout gills (RTgill-W1). To quantify cell viability after particle exposure, three endpoints were examined for all tested cell lines. Additionally, the formation of reactive oxygen species was studied for the human cells. The results showed only minor effects of the particles on the tested cell systems and support the assumption that palladium/magnetite ...

Science.gov (United States)

The vibrational states, absorption energies, and diffusions of H in Pd and Pd1-xAgx(0Pd-Ag alloys should avoid the Ag-rich areas.

International Nuclear Information System (INIS)

Full text of publication follows: Slightly over-stoichiometric lithium orthosilicate pebbles have been selected as one optional breeder material for the European Helium Cooled Pebble Bed (HCPB) blanket. This material has been developed in collaboration of Research Center Karlsruhe and the Schott Glass, Mainz. The lithium orthosilicate pebbles are fabricated from lithium hydroxide and silica by a melting and spraying method in a semi-industrial scale facility. Lithium hydroxide was selected as the precursor since enriched lithium hydroxide is commercially available. The lithium orthosilicate pebbles produced by the process contains oxide phases besides orthosilicate, but it was also found that the oxide phases can be decomposed by annealing at high temperatures. The lithium orthosilicate pebbles produced in this way possesses satisfactory pebble characteristics. Therefore, the authors performed out-of-pile annealing tests using the lithium orthosilicate pebbles irradiated in a research ...

International Nuclear Information System (INIS)

GaInP solar cell interfaces were characterized by admittance spectroscopy. Admittance spectroscopy is shown to be sensitive to the band structure at the heterojunction interfaces. In particular, a correlation between activation energy of the capacitance step in a capacitance versus temperature plot and effective potential barrier for majority carriers is demonstrated, indicating a new method for the determination of potential barriers at heterointerfaces. Using this technique, the effective potential barrier for holes at the p-Al_0_._5_3In_0_._4_7P/p-GaAs interface is found to be equal to 0.6 eV. Effects of interface defects and spreading resistance in the emitter of solar cells are illustrated and discussed.

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The behaviour of hydrogen adsorption on palladium has been investigated by a.c. impedance measurements in 0.1 M NaOH solution of pH 13 at 298 K. The electrode impedance has been measured by superimposing an a.c. voltage of 5 mV amplitude ranging between 10{sup -1} and 10{sup 4} Hz on a d.c. potential range from -0.76 to 0.44 V (standard hydrogen electrode (SHE)). The equivalent circuit representing the hydrogen adsorption reaction is proposed from the analysis of the frequency dependence of electrode admittance. The capacitance, arising from the adsorbed hydrogen, has been determined as a function of applied potential by complex non-linear least-squares curve fitting method based on the proposed equivalent circuit. As the cathodic applied potential increased from -0.36 to -0.76 V (SHE), the adsorption capacitance considerably increased owing to the enhanced coverage of hydrogen adsorbed on the palladium surface. In the applied potential range ...

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Two major modes of CO adsorption on SiO{sub 2}-supported Pd reflect different extents of back-donation, which is, at least in part, controlled by the local electron density at the adsorption site. The fraction of CO in the bridging mode (B) increases and that of the linear mode (L) decreases, with increasing size of the Pd particles, indicating high electron density at Pd atoms in terraces of close-packed crystal faces, in agreement with Smoluchowski's classical model. For samples reduced at 300{degree}C our data points and those of other authors are located on a common curve of B/L vs metal dispersion. Extensive reduction at 600{degree}C results in significantly lower B/L values, attributed to the incipient formation of a palladium silicide. Oxidation followed by reduction at 300{degree}C destroys the silicide, and the B/L value returns to the original curve.

International Nuclear Information System (INIS)

Radioactive "3"1Si was used as a tracer to study silicon self-diffusion in thin film silicides of cobalt, nickel, palladium and platinum. The specimens were prepared by sequential electron beam evaporation of radioactive "3"1Si and of the metal onto cleaned silicon wafers. By vacuum annealing at the appropriate formation temperature a silicide about 250 nm thick containing a sharp radioactive band about 50 nm thick was generally formed. Subsequent heating above the formation temperature resulted in a spreading of the activity owing to silicon self-diffusion. Activity profiles in the silicides were measured by a combination of ion beam sputtering, radioactivity counting and Rutherford backscattering of charged nuclear particles. (orig.).

British Library Electronic Table of Contents (United Kingdom)

Palladium deposition on Pt(110) electrodes was studied. Differently from Pt(111) and Pt(100), first and further layers cannot be distinguished in this case only through the voltammetric behavior of hydrogen and anion adsorption. The potential of zero total charge (pztc) was determined as a function of the amount of deposited Pd using CO charge displacement experiments and voltammetric curves. The variation of the voltammetric charge due to hydrogen and anion adsorption has been followed during Pd deposition. The voltammetric charge between 0.06 and 0.4V first decreases to a minimum, then increases and finally becomes stable, suggesting that the surface is finally covered with a Pd multilayer. The pztc and CO oxidation charge show similar behavior. CO oxidation, NO reduction and Cu UPD were...

International Nuclear Information System (INIS)

The use of Auger electron spectroscopy (AES) combined with in situ sputter etching for revealing the metallurgy of the metal-semiconductor interface is presented. The physical basis, measurement techniques, and data interpretation for Auger analysis of thin-film structures are briefly reviewed. Results of a detailed study of an alloyed multilayered contact (Ni/Au-Ge) on n-type epitaxial GaAs are summarized to illustrate how electrical and metallurgical contact properties can be correlated using AES. In addition, the results of a study of the growth kinetics and chemical phase identification of palladium silicide on single-crystal Si is given, as well as the initial results of a study of aluminum-palladium silicide interaction at elevated temperature.

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The solid state reaction between a Pd thin film and a Si substrate produces a single new phase, Pd/sub 2/Si, for temperatures <700/sup 0/C. When the substrate is a single crystal of (111) surface orientation, this process is particularly interesting because the silicide grows epitaxially. Growth of epitaxial interfacial Pd/sub 2/Si was the focus of this study using X-ray diffraction techniques.

British Library Electronic Table of Contents (United Kingdom)

Unsymmetric diaryl alkynes were synthesized from the palladium-catalyzed decarboxylative coupling of aryl halides and propiolic acid using a continuous flow reaction system. This flow chemistry system continuously gave the desired products in moderate to good yields, and produced less byproduct than was formed in the batch reaction.

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III-V semiconductors, GaAs and in particular InGaP, are used in many different electronic applications, such as high power and high frequency devices, laser diodes and high brightness LED. Their direct bandgap and high reliability make them ideal candidates for the realisation of high efficiency solar cells: in the past years they have been successfully used as power sources for satellites in space, where they are able to produce electricity from sunlight with an overall efficiency of around 30%. Nowadays, the use of arsenides and phosphides as photovoltaic (PV) devices is confined only to space applications since their price is much higher than conventional Si flat panel modules, the leading PV market technology. But with the introduction of multijunction solar cells capable of operating in high concentration solar light, the area and, therefore, the cost of these cells can be reduced and will eventually find an application and market also on Earth. This article ...

Science.gov (United States)

A high-efficiency 3- or 4-junction solar cell is disclosed with a theoretical AM0 energy conversion efficiency of about 40%. The solar cell includes p-n junctions formed from indium gallium arsenide nitride (InGaAsN), gallium arsenide (GaAs) and indium gallium aluminum phosphide (InGaAlP) separated by n-p tunnel junctions. An optional germanium (Ge) p-n junction can be formed in the substrate upon which the other p-n junctions are grown. The bandgap energies for each p-n junction are tailored to provide substantially equal short-circuit currents for each p-n junction, thereby eliminating current bottlenecks and improving the overall energy conversion efficiency of the solar cell. Additionally, the use of an InGaAsN p-n junction overcomes super-bandgap energy losses that are present in conventional multi-junction solar cells. A method is also disclosed for fabricating the high-efficiency 3- or 4-junction solar cell by metal-organic chemical vapor deposition (MOCVD). ...

International Nuclear Information System (INIS)

Radiation defects produced by helium implantation were used to shape profiles of palladium (Pd) and platinum (Pt) atoms in-diffusing (for 20 min at temperatures 600-800 deg. C) either from surface silicide (Pd_2Si, PtSi) or implanted layers. Results show that this procedure allows a strong localization of substitutional Pd and Pt at the depth where the damage produced by helium peaks. This results in local reduction of carrier lifetime by an almost ideal recombination centers - the acceptor level of substitutional Pd (E _c - 0.22 eV) or Pt (E _c - 0.23 eV). While optimum conditions for Pt in-diffusion are about 700 deg. C, Pd gives the best results already at lower temperatures (600 deg. C) where it also exhibits higher peak solubility. Both methods were used for optimization of turn-off properties of high power PiN diodes. The devices, where the lifetime was killed locally by Pd and Pt, exhibited similar trade-off between the static and dynamic parameters as the ...

International Nuclear Information System (INIS)

Polycrystalline silicon films have been grown from Si_2H_6 by low-pressure chemical vapour deposition at 800 K and in situ laser annealing (LA) on amorphous silicon seed layers deposited on a metallic Ti/Pd/Ag multilayer. The crystalline volume fraction in the seed layer was controlled by thermal annealing. According to the metal-induced crystallization effect, the presence of the metal induces a lower-temperature crystallization of silicon in the seed layers. X-ray diffraction and scanning electron microscopy data show that the formation of palladium silicides in the seed layer drives the growth of wire-like columns which are found to change morphology depending on the seed layer microstructure and LA parameters. It is suggested that superficial palladium was found to affect also the growth rate by enhancing the Si_2H_6 dissociation.

International Nuclear Information System (INIS)

In the present work, a rapid deposition anodic stripping voltammetry (ASV) for determination of uranium is presented. For this purpose, the uranyl hexacyanoferrate (K2UO2[Fe(CN)6]) is deposited electrochemically on a thin palladium-aluminum electrode (Pd-Al) from a UO22+ solution in the presence of K3Fe(CN)6. Then, the well stable (K2UO2[Fe(CN)6]) on the electrode was stripped by anodic differential pulse voltammetry for measuring the UO22+ ion concentration. The effect of operational parameters, including: concentration of K3Fe(CN)6, solution pH, deposition potential, and deposition time were studied. In optimum conditions, the calibration graph was linear in the concentration range 105-7 x 10-4 mol L-1 with a detection limit of 6.2 x 10-6 mol L-1. The influence of some concomitant ions in K2UO2[Fe(CN)6] formation was investigated. The proposed method was used for the rapid determination of uranium in some uranium mineral ores. (orig.)

International Nuclear Information System (INIS)

The description is presented of binary phase diagrams of titanium alloyed with the following elements: silver, aluminium, arsenic, gold, boron, barium, beryllium, bismuth, carbon, calcium, cadmium, cobalt, chromium, copper, iron, gallium, germanium, hydrogen, hafnium, indium, iridium, potassium, lithium, magnesium, manganese, molybdenum, nitrogen, sodium, niobium, nickel, oxygen, osmium, phosphorus, lead, palladium, platinum, plutonium, rhenium, lanthanium, cerium, preseodymium, neodymium, gadolinium, erbium, terbium, thulium, lutetium, rhodium, ruthenium, scandium, silicon, tin, strontium, tantalum, technetium, thorium, uranium, vanadium, tungsten, yttrium, ytterbium, zinc and zirconium.

Science.gov (United States)

We have investigated the stability and catalytic activity of epitaxial overlayers of rhodium on Au(111) and Pd(111). Both surfaces show a strong affinity for hydrogen. We have calculated the energy of adsorption both for a strongly and a more weakly adsorbed species; the latter is the intermediate in the hydrogen evolution reaction. Both the energy of activation for hydrogen adsorption (Volmer reaction) and hydrogen recombination (Tafel reaction) are very low, suggesting that these overlayers are excellent catalysts. PMID:21847482

Science.gov (United States)

The title compounds were prepared by arc-melting of the elemental components. Whereas NdPdSi and SmPdSi are already present after the arc-melting, alpha-GdPdSi and alpha-TbPdSi are formed only during the annealing at 800 degC. The four compounds crystallize with the recently reported alpha-YbAuGe type structure, which was refined for alpha-GdPdSi: Pnma, a=2108.0(4) pm, b=433.9(1) pm, c=745.6(1) pm, Z=12, R=0.026 for 1447 structure factors and 62 variable parameters. The lanthanoid atoms are situated between two-dimensionally infinite nets of condensed, puckered hexagons formed by alternating palladium and silicon atoms, with Pd-Si distances varying between 251 and 262 pm. In the third dimension these nets are linked via weak Pd-Pd (300 pm), Pd-Si (283 pm), and Si-Si bonds (261 pm). The refinements of the occupancy parameters suggested that ca. 2% of the palladium sites are occupied by silicon atoms and vice versa. The structural relationships ...

International Nuclear Information System (INIS)

Phase relations in the ternary system Ce-Pd-Si have been established for the isothermal section at 800 deg. C based on X-ray powder diffraction and EMPA techniques on about 130 alloys, which were prepared by arc-melting under argon or powder reaction sintering. Eighteen ternary compounds have been observed to participate in the phase equilibria at 800 deg. C. Atom order was determined by direct methods from X-ray single-crystal counter data for the crystal structures of #tau#_8-Ce_3Pd_4Si_4 (U_3Ni_4Si_4-type, Immm; a=0.41618(1), b=0.42640(1), c=2.45744(7) nm), #tau#_1_6-Ce_2Pd_1_4Si (own structure type, P4/nmm; a=0.88832(2), c=0.69600(2) nm) and also for #tau#_1_8-CePd_1_-_xSi_x (x=0.07; FeB-type, Pnma; a=0.74422(5), b=0.45548(3), c=0.58569(4) nm). Rietveld refinements established the atom arrangement in the structures of #tau#_5-Ce_3PdSi_3 (Ba_3Al_2Ge_2-type, Immm; a=0.41207(1), b=0.43026(1), c=1.84069(4) nm) and #tau#_1_3-Ce_3_-_xPd_2_0_+_xSi_6 (0#<=#x#<=#1, Co_2_0Al_3B_6-type, ...

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Supercritical CO2 is used as a new solvent for immersion deposition, a galvanic displacement process traditionally carried out in aqueous HF solutions containing metal ions, to selectively develop metal films on featured or non-featured silicon substrates. Components of supercritical fluid immersion deposition (SFID) solutions for fabricating Cu and Pd films on silicon substrates are described along with the corresponding experimental setup and procedure. Only silicon substrates exposed and reactive to SFID solutions can be coated. The highly pressurized and gas-like supercritical CO2, combined with the galvanic displacement property of immersion deposition, enables the SFID technique to selectively deposit metal films in small features. SFID may also provide a new method to fabricate palladium silicide in small features or to metallize porous silicon.

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An experimental and modelling study was performed for a reverse flow catalytic converter attached to a natural gas/diesel dual fuel engine. The catalytic converter had a segmented ceramic monolith honeycomb substrate and a catalytic washcoat containing a predominantly palladium catalyst. A one-dimensional single channel model was used to simulate the operation of the converter. The kinetics of the CO and methane oxidation followed first-order behaviour. The activation energy for the oxidation of methane showed a change with temperature, dropping from a value of 129 to 35 kJ/mol at a temperature of 874 K. The reverse flow converter was able to achieve high reactor temperature under conditions of low inlet gas temperature, provided that the initial reactor temperature was sufficiently high. (author)

International Nuclear Information System (INIS)

The FLAPW (full-potential linearized-augmented plane-wave) method is one of the most accurate first-principles methods for determining electronic and magnetic properties of crystals and surfaces. Until the present work, the FLAPW method has been limited to systems of less than about one hundred atoms due to a lack of an efficient parallel implementation to exploit the power and memory of parallel computers. In this work we present an efficient parallelization of the method by division among the processors of the plane-wave components for each state. The code is also optimized for RISC (reduced instruction set computer) architectures, such as those found on most parallel computers, making full use of BLAS (basic linear algebra subprograms) wherever possible. Scaling results are presented for systems of up to 686 silicon atoms and 343 palladium atoms per unit cell, running on up to 512 processors on a CRAY T3E parallel computer.

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The initial growth process and surface structure of thin Pd(silicide) films on clean Si(111)-7x7 surfaces have been studied by low energy ion scattering (ISS) and LEED-Auger techniques. Considerable reaction between Pd and Si at room temperature is observed to extend up to 25 ML thickness of deposited Pd. Heat treatment of the room temperature film produced epitaxial silicide Pd/sub 2/Si(0001) films covered with the accumulated elementary Si layers of 1-2 ML thickness. Deposition of 1/3 ML Pd onto a heated substrate gives a Pd-embedded ordered surface of Si(111)-..sqrt..3x..sqrt..3R30/sup 0/, the feature being similar to the cases of Ag, Au/Si(111) systems.

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By using megaelectronvolt /sup 4/He ion backscattering techniques and transmission electron microscopy, the authors have investigated the interactions of ion beams with thin film structures in a number of silicide-forming systems. The mixed layer was found to be an equilibrium compound for near-noble metals and an amorphous phase for refractory metals. Differences in behavior have also been observed in near-noble metal systems. For palladium, the Pd/sub 2/Si phase grew with ion dose and remained crystalline up to high dose. For nickel, the compound Ni/sub 2/Si was formed initially and became amorphous on prolonged irradiation. All the results indicate the significance of atomic mobility at target temperatures in determining the phase formation and in explaining the sensitivity of the silicides to ion bombardment.

International Nuclear Information System (INIS)

Pd was deposited onto Si (111) 7x7 surface at approximately 700 K inside an ultrahigh vacuum transmission electron microscope. Plan-viewed transmission electron microscopy (TEM) observation indicated that the islands have two kinds of shapes, round and rectangular (one-dimensional) ones. In a diffraction pattern for the rectangular islands, extra spots along the <110> direction of the Si surface, spacing of which is 1/8 times as long as that of Si (220) spots, were seen. A high resolution TEM image showed the corresponding superstructure in the rectangular islands. In situ observation of the growing process of the rectangular islands showed repeat of introduction and relief of strains during the growth, suggesting that such superstructure would be constructed by stacking compositionally different phases or introducing defects so that the periodically maximized strain is relieved.

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The structure and catalytic properties of 2 wt.-% Pd/SiO/sub 2/ catalysts promoted with 2 wt.-% MgO and 0.2-5 wt.-% iron have been investigated. Catalysts were characterized by TPR, hydrogen chemisorption, and Moessbauer spectroscopy and their catalytic performance in methanol formation was also measured. At 16 at.-% iron a sharp maximum was observed in the activity which can be interpreted as being due to simultaneous promotion with iron and MgO. Independent mechanisms of promotion were found for the two modifiers: iron influenced the metallic component by forming bimetallic PdFe particles while MgO changed the properties of silica in a favourable way. 6 figs., 29 refs., 1 tab.

International Nuclear Information System (INIS)

Three ternary austenitic alloys (Fe-15Cr-25Ni, Fe-15Cr-25Ni-0.04P, Fe-15Cr-45Ni in both annealed and cold worked conditions) were irradiated at 465 C to 0.15, 0.28, and 0.42 dpa at above core position in the Fast Flux Test Facility utilizing the Materials Open Test Assembly to study the separate and synergistic effects of He/dpa ratio, phosphorus addition, nickel content and cold work level on microstructural evolution and hardening. The helium/dpa ratio was varied by isotopic doping with "5"9Ni to enhance the production rate of helium. The helium production rate was evaluated to be 62 appm He/dpa in the "5"9Ni-doped specimens and 0.26 appm He/dpa in the undoped specimens. Transmission electron microscopic examinations revealed that alloy composition affected significantly the evolution of microstructure during irradiation. Phosphorus addition prevented the formation of Frank loops through the precipitation of phosphide. Nickel content influenced the nucleation of ...

Energy Technology Data Exchange (ETDEWEB)

The palladium(II) and platinum(II)complexes(where, (M(L){sub 2}X{sub 2}), M=Pd(II), Pt(II); L=isoxazole (isox), 3, 5-dimethylisoxazole(3, 5-diMeisox), 3-methyl, 5-phenylisoxazole(3-Me, 5-Ph-isox), and 4-amino-3, 5-di-methylisoxazole (4-ADI); X=Cl, Br) with isoxazole and its derivatives were investigated on antitumor activity by MM2 and EHMO calculation. Because for all the complexes the {sigma}MO energy level (E{sub {sigma}}{sub (M-X)} between d{sub x}{sup 2}{sub -y}{sup 2} orbital of central metal and p{sub x} orbital of halogen atom is less than {sigma}MO energy level E{sub {sigma}}{sub (M-N)} between d{sub x}{sup 2}{sub -y}{sup 2} orbital of central metal and p{sub x} orbital of N atom, without exception. And judging, from the lower E{sub {sigma}}{sub (M-X)} value in trans, the bonding strength was found to be weaker in trans isomer than in cis. For the Pd(II) and Pt(II) complexes which have planar ligands, it was shown that for all the complexes dissociation of ...

International Nuclear Information System (INIS)

The nine title compounds were prepared from the elements by arc-melting and subsequent heat treatment in resistance and high-frequency furnaces. The crystal structure of these isotypic compounds was determined for YPdSi from single-crystal X-ray diffractometer data: Pmmn, a = 430.8(1) pm, b = 1391.2(1) pm, c = 743.1(1) pm, Z = 8, R = 0.024 for 417 structure factors and 40 variable parameters. The crystal structures of the isotypic compounds GdPdSi and ErPdSi were also refined from single-crystal data. The structure is of a new type. It consists of condensed, six-membered rings of alternating palladium and silicon atoms with Pd-Si bond distances varying between 249.6 and 258.8 pm. These two-dimensionally infinite nets are connected to each other via weak Pd-Si and Si-Si bonds with bond distances of 276.3 and 259.5 pm. The rare earth atoms are situated above and below the six-membered palladium-silicon rings in a manner as it is known for the ...

International Nuclear Information System (INIS)

The anodic reaction kinetics and interfacial mass transport of a direct polymer electrolyte membrane formic acid fuel cell have been investigated in an all solid-state electrochemical cell using a highly active nanostructured palladium-gold alloy microelectrode as an in situ probe. Well-defined 'S-shaped' steady-state cyclic voltammograms exhibiting current-rising region at lower overpotentials and limiting current region at higher overpotentials have been first obtained for the electrochemical oxidation of formic acid at varying temperature. The 'S-shaped' steady state polarization curves and chronoamperometric curves enable convenient measurements of the anodic reaction kinetics and interfacial mass transport of formic acid under real polymer electrolyte membrane conditions. It is encouragingly found that formic acid can be directly oxidized to CO2 with the first electron transfer being the likely rate-determining step and the formation of surface poison can be ...

Energy Technology Data Exchange (ETDEWEB)

There is renewed interest in the development of natural gas vehicles in response to the challenge to reduce urban air pollution and consumption of petroleum. The natural gas/diesel dual fuel engine is one way to apply natural gas to the conventional diesel engine. Dual fuel engines operating on natural gas and diesel emit less nitrogen oxides, and less carbon soot to the air compared to conventional diesel engines. The problem is that at light loads, fuel efficiency is reduced and emissions of hydrocarbons and carbon monoxide are increased. This thesis focused on control methods for emissions of hydrocarbons and carbon monoxide in the dual fuel engine at light loads. This was done by developing a reverse flow catalytic converter to complement dual fuel engine exhaust characteristics. Experimental measurements and numerical simulations of reverse flow catalytic converters were conducted. Reverse flow creates a high reactor temperature even when the engine is run at low exhaust ...

Science.gov (United States)

The formation and properties of Pd{sub 2}Si formed by focused ion beam implantation of Pd ions into Si is presented in this thesis. An extensive microstructural study using transmission electron microscopy was undertaken and the as-implanted as well as annealed microstructure is shown. Results of other analysis techniques such as Rutherford back scattering and secondary ion mass spectrometry etc. are also presented. Kinetic information on the growth of Pd{sub 2}Si obtained by both microstructural and resistance measurements indicates that the activation energy for growth of the silicide is around 0.36 to 0.39 eV. This can be compared with the normally reported value of 1.5 eV for Pd{sub 2}Si formed by annealing thin film Pd on Si. The growth of the silicide was found to follow t{sup 1/2} kinetics. Microstructural observation of the as-implanted samples showed extensive in-situ formation of Pd{sub 2}Di and also surprisingly few defect structures. A heat transfer model for the ...

Energy Technology Data Exchange (ETDEWEB)

This is the final report of a three year DOE funded project titled ''A real-time coal content/ore grade (C{sub 2}OG) sensor''. The sensor, which is based on hyperspectral imaging technology, was designed to give a machine vision assay of ore or coal. Sensors were designed and built at Resonon, Inc., and then deployed at the Stillwater Mining Company core room in southcentral Montana for analyzing platinum/palladium ore and at the Montana Tech Spectroscopy Lab for analyzing coal and other materials. The Stillwater sensor imaged 91' of core and analyzed this data for surface sulfides which are considered to be pathfinder minerals for platinum/palladium at this mine. Our results indicate that the sensor could deliver a relative ore grade provided tool markings and iron oxidation were kept to a minimum. Coal, talc, and titanium sponge samples were also imaged and analyzed for content and grade with ...

Energy Technology Data Exchange (ETDEWEB)

A 2-stage cold (non-tritium) PMR system was tested with the ITER mix in61 days of continuous operation. No decrease in performance was observed over the duration of the test. Decontamination factor (DF) was found to increase with decreasing inlet rate. Decontamination factors in excess of 1.4 {times} 10{sup 5} were obtained, but the exact value of the highest DF could not be determined because of analysis limitations. Results of the 61-day test were used to design a 2-stage PMR system for use in tritium testing. The PMR system was scaled up by a factor of 6 and built into a glovebox in the Tritium Systems Test Assembly (TSTA) of the Los Alamos National Laboratory. This system is approximately 1/5th of the expected full ITER scale. The ITER mix was injected into the PMR system for 31 hours, during which 4.5 g of tritium were processed. The 1st stage had DF = 200 and the 2nd stage had DF = 2.9 {times} 10{sup 6}. The overall DF = 5.8 {times} 10{sup 8}, which is greater than ITER ...

Science.gov (United States)

Phase relations in the ternary system Ce-Pd-Si have been established for the isothermal section at 800 deg. C based on X-ray powder diffraction and EMPA techniques on about 130 alloys, which were prepared by arc-melting under argon or powder reaction sintering. Eighteen ternary compounds have been observed to participate in the phase equilibria at 800 deg. C. Atom order was determined by direct methods from X-ray single-crystal counter data for the crystal structures of tau{sub 8}-Ce{sub 3}Pd{sub 4}Si{sub 4} (U{sub 3}Ni{sub 4}Si{sub 4}-type, Immm; a=0.41618(1), b=0.42640(1), c=2.45744(7) nm), tau{sub 16}-Ce{sub 2}Pd{sub 14}Si (own structure type, P4/nmm; a=0.88832(2), c=0.69600(2) nm) and also for tau{sub 18}-CePd{sub 1-x}Si{sub x} (x=0.07; FeB-type, Pnma; a=0.74422(5), b=0.45548(3), c=0.58569(4) nm). Rietveld refinements established the atom arrangement in the structures of tau{sub 5}-Ce{sub 3}PdSi{sub 3} (Ba{sub 3}Al{sub 2}Ge{sub 2}-type, Immm; a=0.41207(1), b=0.43026(1), ...

International Nuclear Information System (INIS)

The crystal structure of the compound Sm_4Pd_4Si_3 was determined by the single-crystal method (KM-4 automatic diffractometer, Mo K#alpha# radiation). Sm_4Pd_4Si_3 has the monoclinic Nd_4Rh_4Ge_3 type structure: space group C2/c, mC44 (No. 15), a=20.693(6), b=5.584(1), c=7.699(2) A, #beta#=109.48(3) , V=838 A"3, Z=4, #mu#=36.23 mm"-"1, R_F=0.0537, R_W=0.0435 for 1652 unique reflections. The coordination numbers of samarium atoms are 17 and 18. For palladium and silicon atoms icosahedra and trigonal prisms with additional atoms are typical as coordination polyhedra. The structure of Sm_4Pd_4Si_3 is composed of fragments of the YPd_2Si and Y_3Rh_2Si_2 structure in a ratio 1:1. (orig.).

British Library Electronic Table of Contents (United Kingdom)

Platinum(II) complexes (1-4) with bidentate N,Nprime-ligands, O,Oprime-dialkyl esters (alkyl = ethyl, n-propyl, n-butyl and n-pentyl), of (S,S)-ethylenediamine-N,Nprime-di-2-(4-methyl)pentanoic acid were synthesized and characterized by IR, 1H NMR and 13C NMR spectroscopy and elemental analysis. DFT calculations were performed for the complexes and it was found that only one diastereoisomer could be formed. Cytotoxic activity of complexes 1-4 was determined against chronic lymphocytic leukemia cells (CLL) and compared to the activity of ligand precursors L12HCl-L42HCl and corresponding palladium(II) complexes, [PdCl2L] (L = L1-L4). The complexes were found to exhibit significantly higher antitumor activities than cisplatin on CLL cells. Cytotoxic effect of platinum(II) complexes on CLL cel...

International Nuclear Information System (INIS)

In a closed circuit formed by bypassing pipelines connected to carbon steel parts, low oxygen coolants pass there through during operation. A solution containing ions of metals more noble than iron are circulated to bring the solution into contact with the carbon steel surface of the inner wall of the parts to form a deposition membrane of the metal more noble than iron on the surface to prevent acceleration of corrosion of the carbon steel parts due to low oxygen coolants. The solution containing ions of metals more noble than iron is a solution of palladium nitrate containing ions of platinum elements. This operation is conducted under a temperature condition of from 50degC to 150degC. In addition, the metal ion concentration of the solution circulating in the closed circuit is measured, it is compared with metal ion concentration previously determined, and the results are feed back to a means for controlling water quality of the solution to control the metal ion ...

Energy Technology Data Exchange (ETDEWEB)

One- and two-dimensional long-period superstructures (LPS), based on the L1{sub 2} substructure, are systematically investigated for the noble metal-palladium alloys Cu-Pd, Ag-Pd and Au-Pd with first-principles methods. Notwithstanding the fact that the experimental phase diagrams of these systems yield totally different features, quite similar behaviour with respect to formation of low temperature ordered LPS-phases (Cu{sub 3}Pd: LPS 3, Ag{sub 3}Pd: LPS 3, Au{sub 3}Pd: LPS 2; {l_brace}Cu, Au{r_brace}Pd{sub 3}: L1{sub 2}, AgPd{sub 3}: not a ground state) is predicted. As a lever between via LDA obtained formation enthalpies and a thorough ground state scan, the cluster expansion method in conjunction with a genetic algorithm provides adequate means for the extraction of effective interactions, which also allow for an enhanced ground state scan in the configurational space of LPS structures. As a result, the sequences and energetical hierarchies for stable LPSs in ...

Energy Technology Data Exchange (ETDEWEB)

Alkaline fuel cells (AFCs) provide a less corrosive environment and can provide higher electrode reaction kinetics than proton exchange membrane fuel cells (PEMFCs). The alkaline media also allows for the replacement of platinum (Pt) based electrocatalysts with non-Pt electrocatalysts. Studies have shown that palladium (Pd) and silver (Ag) form a homogenous solid solution with a face-centred cubic structure within a large range of temperatures. This study described the results of an oxygen reduction reaction (ORR) on lead-silver (Pd-Ag) alloy electrodes in alkaline media. The reaction was compared with Pd and Ag electrodes. The alloys were synthesized as thin films using a sequential electroless deposition of Pd and Ag on stainless steel discs followed by an annealing procedure in an Ar stream. X-ray diffraction (XRD), scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS) were used to characterize catalyst structure, morphology, and ...

Energy Technology Data Exchange (ETDEWEB)

In order to gain a wider knowledge of corrosion phenomena in OFHC (oxygen free high conductivity) copper pipes of the stator cooling circuit of a power plant turboalternator, a research program was laid out which is based on the use of an experimental loop simulating real operating conditions as closely as possible. The samples examined were either copper foils or hollow conductors of the type that is normally used in the stator cooling system, and the circulating fluid was high purity water with controlled O/sub 2/, H/sub 2/ and C0/sub 2/ contents. Investigations were focused on the kinetics of O/sub 2/ removal through catalytic resins covered with metallic palladium (at different temperatures and pressures) and on the kinetics of CO/sub 2/ removal through mixed bed resins. Subsequently, attention was directed to the corrosion of copper (in the form of foils or hollow conductors) under different experimental conditions simulating either optimal or anomalous ...

Energy Technology Data Exchange (ETDEWEB)

The ternary zirconium palladium silicide ZrPd{sub 3}Si{sub 3} has been synthesized by arc-melting of the elemental components. It adopts a new structure type and crystallizes in the orthorhombic space group Cmcm with a = 3.8127(4){angstrom}, b = 15.551(1){angstrom}, c = 7.0390(5){angstrom}, and Z = 4 (Pearson symbol oC28). The structure can be regarded as being built up of Re{sub 3}B-type slabs of composition Pd{sub 3}Si alternating with {alpha}-FeSi{sub 2} slabs of composition ZrSi{sub 2}. Notable features include the presence of Si{sub 2} pairs, square pyramidal and tetrahedral coordination of Pd centers by Si atoms, an unusual distorted cubic coordination of the Zr atoms by the Si{sub 2} pairs, and an extensive network of Zr-Zr, Zr-Pd, and Pd-Pd metal-metal bonds. ZrPd{sub 3}Si{sub 3} is weakly metallic with a room-temperature resistivity of 1.7 x 10{sup {minus}3} {Omega} cm. Extended Hueckel band structure calculations confirm the metallic behavior; support the ...

Science.gov (United States)

Basic research of the structure and electronic properties of a-Si:H is reported with particular emphasis on the role of defects. The main findings are as follows: (1) low defect density material can be deposited at a high rate using SiH/sub 4/ diluted in He or Ne. Using Ar or Kr results in a high defect density and columnar material; (2) an electrical bias during deposition modifies the band gap, hydrogen concentration and structure; (3) the clustering of hydrogen in the regions between the columns is confirmed; (4) hydrogen diffusion is observed by NMR; (5) the oxidation of an a-Si:H surface results in approx. 3 x 10/sup 11/ cm/sup -2/ dangling bonds at the interface; (6) auger recombination of photoexcited carriers is a significant non-radiative mechanism at low temperatures; (7) non-radiative recombination by diffusion and capture at dangling bonds is observed at temperatures above 50 to 100/sup 0/K; (8) the defect density in doped and compensated a-Si:H is determined by the ...

Energy Technology Data Exchange (ETDEWEB)

Various methods for storing hydrogen have been examined in an effort to find ways to store hydrogen in increasingly smaller volumes with decreasing weight of the whole hydrogen storage system. Metal hydrides, in which hydrogen is chemically bound to a metal atom, are considered to be very promising candidates for hydrogen storage because they have high gravimetric and volumetric storage capacities. This study investigated the effect of different magnesium (Mg) and aluminium (Al) ratios on the absorption and desorption properties of thin films. Neutron reflectometry (NR) was used in this study to better understand the absorption and desorption properties of commercially promising hydrogen storage materials. The large negative scattering length of hydrogen atoms changes the reflectivity curve substantially, so that NR can determine the total amount of stored hydrogen as well as the hydrogen distribution along the film normal, with nanometer resolution. In order to use NR, the samples ...

Science.gov (United States)

Feasibility of depositing continuous films of nano-porous alumino-silicates, primarily zeolites and MCM-41, on metallic and non-metallic substrates was examined with an aim to develop membranes for separation of gaseous mixtures and also for application as hydrogen storage material. Mesoporous silica was deposited in-side the pores of these nano-porous disks with an aim to develop membranes for selective separations. Our study involves supported zeolite film growth on substrates using in-situ hydrothermal synthesis. Faujasite, Silicalite and Mesoporous silica have been grown on various metallic and non-metallic supports. Metallic substrates used for film growth included anodized titanium, sodium hydroxide treated Titanium, Anodized aluminum, and sintered copper. A non-metallic substrate used was nano-porous aluminum oxide. Zeolite film growth was characterized using Scanning Electron Microscope (AMRAY 1820) and High Resolution Transmission electron microscope. Silicalite was found to ...