Double perovskite catalysts for oxidative coupling
Energy Technology Data Exchange (ETDEWEB)
Alkali metal doped double perovskites containing manganese and at least one of cobalt, iron and nickel are useful in the oxidative coupling of alkane to higher hydrocarbons.
1991-01-01
Creating bulk nanocrystalline metal.
Energy Technology Data Exchange (ETDEWEB)
Nanocrystalline and nanostructured materials offer unique microstructure-dependent properties that are superior to coarse-grained materials. These materials have been shown to have very high hardness, strength, and wear resistance. However, most current methods of producing nanostructured materials in weapons-relevant materials create powdered metal that must be consolidated into bulk form to be useful. Conventional consolidation methods are not appropriate due to the need to maintain the nanocrystalline structure. This research investigated new ways of creating nanocrystalline material, new methods of consolidating nanocrystalline material, and an analysis of these different methods of creation and consolidation to evaluate their applicability to mesoscale weapons applications where part features are often under 100 {micro}m wide and the material's microstructure must be very small to give ...
2008-10-01
Partial oxidation of 2-propanol on perovskites
Energy Technology Data Exchange (ETDEWEB)
Partial oxidation of 2-propanol was carried out on AB{sub 1-x}B`{sub x}O{sub 3} (A=Ba, B=Pb, Ce, Ti; B`=Bi, Sb and Cu) type perovskite oxides. Acetone was the major product observed on all the catalysts. All the catalysts underwent partial reduction during the reaction depending on the composition of the reactant, nature of the B site cation and the extent of substitution at B site. The catalytic activity has been correlated with the reducibility of the perovskite oxides determined from Temperature Programmed Reduction (TPR) studies. (orig.)
1998-12-31
In vitro corrosion, cytotoxicity and hemocompatibility of bulk nanocrystalline pure iron
International Nuclear Information System (INIS)
Bulk nanocrystalline pure iron rods were fabricated by the equal channel angular pressure (ECAP) technique up to eight passes. The microstructure and grain size distribution, natural immersion and electrochemical corrosion in simulated body fluid, cellular responses and hemocompatibility were investigated in this study. The results indicate that nanocrystalline pure iron after severe plastic deformation (SPD) would sustain durable span duration and exhibit much stronger corrosion resistance than that of the microcrystalline pure iron. The interaction of different cell lines reveals that the nanocrystalline pure iron stimulates better proliferation of fibroblast cells and preferable promotion of endothelialization, while inhibits effectively the viability of vascular smooth muscle cells (VSMCs). The burst of red cells and adhesion of the platelets were also substantially suppressed on contact with the ...
2010-12-01
Nanocrystalline permanent magnets with enhanced properties
International Nuclear Information System (INIS)
Parameters of permanent magnets result from the combination of intrinsic properties such as saturation magnetization, magnetic exchange, and magnetocrystalline energy, as well as microstructural parameters such as phase structure, grain size, and orientation. Reduction of grain size into nanocrystalline regime (#approx# 50 nm) leads to the enhanced remanence which derives from ferromagnetic exchange coupling between highly refined grains. In this study the fundamental phenomena, quantities, and structure parameters, which define nanophase permanent magnets are presented and discussed. The theoretical considerations are confronted with experimental data for nanocrystalline Sm-Fe-N type permanent magnets. (author)
2001-09-23
Enhanced Activity of Nanocrystalline Zeolites for Selective Catalytic Reduction of NOx
Energy Technology Data Exchange (ETDEWEB)
Nanocrystalline zeolites with discrete crystal sizes of less than 100 nm have different properties relative to zeolites with larger crystal sizes. Nanocrystalline zeolites have improved mass transfer properties and very large internal and external surface areas that can be exploited for many different applications. The additional external surface active sites and the improved mass transfer properties of nanocrystalline zeolites offer significant advantages for selective catalytic reduction (SCR) catalysis with ammonia as a reductant in coal-fired power plants relative to current zeolite based SCR catalysts. Nanocrystalline NaY was synthesized with a crystal size of 15-20 nm and was thoroughly characterized using x-ray diffraction, electron paramagnetic resonance spectroscopy, nitrogen adsorption isotherms and Fourier Transform Infrared (FT-IR) spectroscopy. Copper ions were exchanged into ...
2006-12-31
Advances in amorphous and nanocrystalline magnetic materials
International Nuclear Information System (INIS)
Recent advances made in the area of amorphous and nanocrystalline alloys exhibiting high saturation inductions are reviewed. A new chemical composition was identified that achieves a saturation induction of 1.64 T in an iron-based amorphous alloy. This alloy, when used in electrical transformers, shows a much improved performance over the existing amorphous alloy. Nanocrystalline FeCoCuNbSiB alloys are found to have saturation induction levels reaching 1.7 T. These materials are suited for use in sensors and inductors carrying large currents. Some of these nanocrystalline alloys show a BH squareness ratio exceeding 90%, which can be utilized in pulse power devices. Recent developments in the applications of these materials are also pointed out.
2006-09-01
Quantifying octahedral rotations in strained perovskite oxide films.
Energy Technology Data Exchange (ETDEWEB)
We have measured the oxygen positions in LaNiO{sub 3} films to elucidate the coupling between epitaxial strain and oxygen octahedral rotations. The oxygen positions are determined by comparing the measured and calculated intensities of half-order Bragg peaks, arising from the octahedral rotations. Combining ab initio density-functional calculations with these experimental results, we show how strain systematically modifies both bond angles and lengths in this functional perovskite oxide.
2010-07-20
Nanocrystalline materials: Interfaces and mesoscopic correlations studied by neutron scattering
International Nuclear Information System (INIS)
Nanocrystalline materials can exhibit properties which are considerably different from their coarse-grained counterparts, making them unique for basic or applied research and also very promising for potential applications. The topics which are addressed in the present paper are magnetic properties and magnetic correlations on the nanometer scale, mechanical properties, in particular the influence of grain boundaries on the elastic and plastic behaviour, and vibration models of grain boundary atoms in nanostructured materials. (author)
2001-09-23
Development of Bulk Nanocrystalline Cemented Tungsten Carbide for Industrial Applicaitons
Energy Technology Data Exchange (ETDEWEB)
This report contains detailed information of the research program entitled "Development of Bulk Nanocrystalline Cemented Tungsten Carbide Materials for Industrial Applications". The report include the processes that were developed for producing nanosized WC/Co composite powders, and an ultrahigh pressure rapid hot consolidation process for sintering of nanosized powders. The mechanical properties of consolidated materials using the nanosized powders are also reported.
2009-03-10
Natural bone consists of hard nanostructured hydroxyapatite (HA) in a nanostructured protein-based soft hydrogel template (ie, mostly collagen). For this reason, nanostructured HA has been an intriguing coating material on traditionally used titanium for improving orthopedic applications. In addition, helical rosette nanotubes (HRNs), newly developed materials which form through the self-assembly process of DNA base pair building blocks in body solutions, are soft nanotubes with a helical architecture that mimics natural collagen. Thus, the objective of this in vitro study was for the first time to combine the promising attributes of HRNs and nanocrystalline HA on titanium and assess osteoblast (bone-forming cell) functions. Different sizes of nanocrystalline HA were synthesized in this study through a wet chemical precipitation process following either hydrothermal treatment or sintering. Transmission electron microscopy images showed that ...
2008-01-01
Point defects in superconductors
Energy Technology Data Exchange (ETDEWEB)
The federating theme of superconductivity has given rise to a number of experimental studies of point defects in solids as different as transition metals (V, Nb, ...), A-15 compounds (V{sub 3}Si, Nb{sub 3}Ge, ...), or perovskite-like copper oxides. Some of these experiments are presented here. (orig.).
1989-12-01
Point defects in superconductors
International Nuclear Information System (INIS)
The federating theme of superconductivity has given rise to a number of experimental studies of point defects in solids as different as transition metals (V, Nb, ...), A-15 compounds (V_3Si, Nb_3Ge, ...), or perovskite-like copper oxides. Some of these experiments are presented here. (orig.).
Energy Technology Data Exchange (ETDEWEB)
ABO{sub 3} perovskite-type oxides having vacancies in the A-sites of their structure are interesting candidates for solid electrolytes when their A-sites are occupied by Li{sup +} ions having a high mobility. This is the case with the [Li{sub 3x}La{sub 2/3-x}]TiO{sub 3} solid solution compound which has a 10{sup -3} S cm{sup -1} ionic conductivity at ambient temperature. Electrochemical intercalation in this material is possible thanks to the presence of Ti{sup 4+} but the small amount of vacancies (0.33 maximum) leads to a low intercalation rate. In order to solve this problem, the LiLaNb{sub 2}O{sub 7} material which has a greater amount of vacancies has been studied and the results relative to the electrochemical intercalation of lithium in this perovskite are presented. The thermodynamical and kinetics properties of the lithium intercalation reaction have been studied by intermittent galvano-static discharges and impedance spectroscopy in ...
1996-12-31
British Library Electronic Table of Contents (United Kingdom)
In this study, the thermodynamic stability of the grain boundaries and the grain growth of nanocrystalline Palladium (Pd) at various temperatures were investigated. For this purpose, the Gibbs free energy curves of grain boundaries were plotted in terms of the excess volume by the use of the equation of state (EOS) and Song's thermodynamic models. The results showed that, according to the prediction of these models, the nanocrystalline growth in metals was stopped at the grain sizes less than the critical grain size. Also, the results of the temperature variations and its effect on the Gibbs free energy curves showed that by the increase of the temperature, the possibility for the stoppage of grain growth is facilitated and the critical grain size is increased. To investigate the validity ...
2012-01-01
Spectroscopy of color centers in yttrium-aluminium perovskite crystals
International Nuclear Information System (INIS)
The color centers, which are generated in yttrium-aluminium perovskite (YAP):Nd(1 at.%) and YAP:Er(50 at.%) crystals under the influence of ultraviolet and #gamma#-irradiation, have been studied by absorption spectroscopy. The generated color centers are both stable and transient at room temperature. It is shown that the transient color centers are mainly responsible for the decrease of laser generation efficiency of Nd:YAP and YAP:Er irradiated crystals, although physical mechanisms leading to efficiency decrease are different in these materials. (orig.)
1998-07-24
Oxygen evolution studies on perovskite films in alkaline media
Energy Technology Data Exchange (ETDEWEB)
Thin films of La{sub 0.6}Ca{sub 0.4}CoO{sub 3} perovskite were deposited on nickel plates by thermal decomposition of the metal nitrates. The electrochemical activity of the films for oxygen evolution in KOH solutions (0.1-1 M) was investigated. The reaction order with respect to OH{sup -} ion was found to be around 0.7. The results correlate fairly well with a mechanism in which breaking of the intermediate metal-peroxide bond at the Co ion is the rate-determining step. (author) 4 figs., 4 refs.
1999-08-01
Magnetic behavior in defect-perovskites RTa{sub 3}O{sub 9} (R=Nd,Eu and Ho)
Energy Technology Data Exchange (ETDEWEB)
Magnetic behavior in three compounds RTa{sub 3}O{sub 9} (R = Nd, Eu and Ho) with defect-perovskite structures has been investigated by DC magnetic susceptibility. The susceptibility of NdTa{sub 3}O{sub 9} shows strong influence of crystal field. For EuTa{sub 3}O{sub 9} a typical Van Vleck paramagnetism has been observed. HoTa{sub 3}O{sub 9} obeys a Curie-Weiss law above 20 K. (orig.) 8 refs.
1998-01-01
Synthesis of nanocrystalline YSZ (ZrO_2-8Y_2O_3) powder by polymerized complex method
International Nuclear Information System (INIS)
In this study nanocrystalline powders of yttria-stabilized zirconia (ZrO_2-8Y_2O_3) have been synthesized through 'polymerized complex method'. Zirconium chloride, yttrium nitrate, citric acid and ethylene glycol were polymerized at 80 "oC to produce a gel-like mass in which metallic ions were uniformly distributed. During the thermal treatment of dried gel, nanocrystalline powder was formed at 450 "oC and 650 "oC for 2 h. Thermal reactions and crystalline phase formation of the dried gel were investigated through thermal analysis and X-ray diffraction analysis, respectively. The results of thermal analysis and XRD showed the formation of nanocrystalline powder at less than 600 "oC. Chemical bonding of the dried gel was investigated by Fourier transform infrared spectroscopy analysis. Morphology of powder calcined at 650 "oC was analyzed by scanning electron microscope. Yttria-stabilized zirconia powders with the mean ...
2010-02-18
Nanocrystalline and policrystalline phases present in the protective metalloceramic coatings
International Nuclear Information System (INIS)
New data about the structure of high-temperature resistant metalloceramic plasma sprayed coatings in micro and nano areas are presented. Application of the new instrumental methods: transmission electron microscopy combined with selected area electron diffraction mode is possible to obtain these data. The first layer in Ni based metallic bond coat shows nanocrystalline structure. External ceramic layer based on stabilised ZrO_2 is polycrystalline and contains both cubic and tetragonal crystalline phases. Local inhomogeneities in coatings phase composition are determined. (author)
2001-09-23
International Nuclear Information System (INIS)
A mixture of powders of silica and aluminum nitride is subjected to high-energy ball milling for different milling times. This material is subsequently compacted by uniaxial pressing and sintered at 1450 deg. C. The resulting pellets are crushed and analysed by X-ray diffraction. For short milling times, the amount of phase transformation is minimal and the resulting material mostly consists of cristobalite and aluminum nitride. For long milling times, nanocrystalline #beta#-SiAl_2O_2N_2 is mainly produced.
2005-04-05
Nanocrystalline doped cerium oxide as a catalyst for SO{sub 2} reduction by CO
Energy Technology Data Exchange (ETDEWEB)
Nanocrystalline processing by inert gas condensation has the inherent advantages of generating: (1) high surface area nanoclusters, (2) non-stoichiometric oxides, and (3) high dispersions of dopants. This approach is exploited in the synthesis of fluorite-structured catalysts for SO{sub 2} reduction by CO. Nanocrystalline CeO{sub 2{minus}x}, La-doped CeO{sub 2{minus}x}, and Cu-doped CeO{sub 2{minus}x} were produced by magnetron sputtering from a pure or mixed metal target, followed by controlled oxidation of the metallic clusters. The as-prepared doped and undoped nanocrystalline CeO{sub 2{minus}x} materials were found to be excellent catalysts for complete SO{sub 2} conversion to elemental sulfur. Undoped nanocrystalline CeO{sub 2{minus}x} enabled light-off at 460 C, a temperature {approximately} 120 C lower than that over polycrystalline CeO{sub 2}, which is a novel effective catalyst itself. The high ...
1994-12-31
British Library Electronic Table of Contents (United Kingdom)
Previously, we demonstrated that the lithium ion conduction in the perovskite-type manganese fluoride is attributed to counter cation-site vacancy mechanism. The divalent counter cation-doped KxBa(1-x)/2MnF3 was theoretically predicted as the lithium ion conductor in the perovskite-type manganese fluoride. In this study, we considered the oxygen doping for KxBa(1-x)/2MnF3 to realize the higher lithium ion conductivity. It is because lithium ion forms the stronger ionic bond with the doped oxygen anion. The hybrid-DFT calculations were performed to investigate the lithium ion conduction in the oxygen-doped KxBa(1-x)/2MnF3. The calculation results were discussed from the viewpoints of the potential energy curve, electron densities, and charge and spin densities. The effect of the lithium ion...
2009-01-01
Selective perovskite catalysts to oxidize ammonia to nitric oxide
Energy Technology Data Exchange (ETDEWEB)
A process is described for the selective oxidation of ammonia to nitric oxide in about 90% or greater yield with a minimum of nitrogen or dinitrogen oxide (N/sub 2/O) as by-products, comprising: (1) contacting gaseous ammonia in an oxygen containing gas optionally with an inert gaseous diluent with a mixed metal perovskite catalyst of the general formula: ABO/sub 3/, wherein: A is selected from the alkali, alkaline earth, lanthanide, or actinide metals or a mixture of these metals having a relatively large ionic, radius, and B is selected from an element or a combination of elements selected from Groups IB, IVB, VB, VIB, VIIB, or VIII of the Periodic Table, wherein the perovskite phase of the catalyst has an equilibrium partial pressure of oxygen at 1000/sup 0/C of greater than about 10/sup -15/ bar; and (2) heating the reactants of step (1) at greater than about 500/sup 0/C under conditions of 10 to 100,000 hr/sup -1/ hourly space velocity.
1989-03-14
Selective perovskite catalysts to oxidize ammonia to nitric oxide
International Nuclear Information System (INIS)
A process is described for the selective oxidation of ammonia to nitric oxide in about 90% or greater yield with a minimum of nitrogen or dinitrogen oxide (N/sub 2/O) as by-products, comprising: (1) contacting gaseous ammonia in an oxygen containing gas optionally with an inert gaseous diluent with a mixed metal perovskite catalyst of the general formula: ABO/sub 3/, wherein: A is selected from the alkali, alkaline earth, lanthanide, or actinide metals or a mixture of these metals having a relatively large ionic, radius, and B is selected from an element or a combination of elements selected from Groups IB, IVB, VB, VIB, VIIB, or VIII of the Periodic Table, wherein the perovskite phase of the catalyst has an equilibrium partial pressure of oxygen at 1000"0C of greater than about 10/sup -15/ bar; and (2) heating the reactants of step (1) at greater than about 500"0C under conditions of 10 to 100,000 hr/sup -1/ hourly space velocity.
1989-03-01
Perovskite-type oxides. Catalysts for the total oxidation of chlorinated hydrocarbons
Energy Technology Data Exchange (ETDEWEB)
Chloromethane, dichloromethane and 1,2-dichloroethane were completely decomposed in air on perovskite-type catalysts (LaMnO{sub 3}, LaCoO{sub 3}, (La{sub 0.84},Sr{sub 0.16})(Mn{sub 0.67},Co{sub 0.33})O{sub 3}) at reaction temperatures above 550C. Besides the main reaction products (carbon dioxide, water and hydrochloric acid), by-products (higher chlorinated-, C-C coupling- and cracking products) were formed in the low temperature range. Depending on the reaction temperature, residence time and kind of chlorinated hydrocarbon a reversible catalyst deactivation takes place. In the case of LaCoO{sub 3} catalysts an irreversible deactivation was observed. X-ray diffraction (XRD) and electron probe microanalysis (EPMA) measurements with the perovskite-type catalysts after interaction of chlorinated hydrocarbons indicate the formation of chlorinated species on the catalyst surface and in the bulk
1998-11-09
International Nuclear Information System (INIS)
Protonic ceramic membrane fuel cells (PCMFCs) based on proton-conducting electrolytes have attracted much attention because of many advantages, such as low activation energy and high energy efficiency. A stable, easily sintered perovskite oxide BaCe_0_._5Zr_0_._3Y_0_._1_6Zn_0_._0_4O_3_-_#delta# (BCZYZ) as electrolyte for proton-conducting solid oxide fuel cells (SOFCs) with Sm_0_._5Sr_0_._5CoO_3_-_#delta# (SSC) composite cathode is investigated. By fabricating thin membrane BCZYZ electrolyte (#approx#20 #mu#m) synthesized by a modified Pechini method on NiO-BCZYZ anode support, PCMFCs are assembled and tested by selecting SSC perovskite cathode with high mixed ionic and electronic conductivities. An open-circuit potential of 1.015 V, a maximal power density of 528 mW cm"-"2, and a low polarization resistance of the electrodes of 0.15 #OMEGA# cm"2 is achieved at 700 "oC. The results indicate that BCZYZ proton-conducting electrolyte with SSC ...
2010-04-02
Ferroelectric and magnetic properties of Ho{sub 2}CuTiO{sub 6} double perovskite
Energy Technology Data Exchange (ETDEWEB)
Ho{sub 2}CuTiO{sub 6} double pervoskite is synthesized by solid state reaction method and the phase formation was confirmed by X-ray diffraction. Ho{sub 2}CuTiO{sub 6} crystallizes in space group P63 cm and are isostructural in AMnO{sub 3} structure. We have investigated the effect of the presence of a magnetic ion (Ho{sup 3+}{approx}10.4{mu}{sub B}) in Ho{sub 2}CuTiO{sub 6}, on the magnetic properties, compared to that of an isostructural double perovskite containing Y-ion (non-magnetic), i.e., Y{sub 2}CuTiO{sub 6}. Magnetization measurements on Ho{sub 2}CuTiO{sub 6} showed paramagnetic moment of 0.026{mu}{sub B}/Ho at room temperature in an applied field of 7 T although no saturation is observed at room temperature, whereas, at 5 K, the paramagnetic moment was 0.3{mu}{sub B}/Ho in the same field. Since this compound is non-centrosymmetric, it is of interest to look into the possibility of realizing multiferroicity (coexistence of magnetic and ferroelectric ...
2006-08-15
British Library Electronic Table of Contents (United Kingdom)
We performed hybrid-DFT calculations for La2/3?xLi3xTiO3 (LLT) with lithium ion conductivity, in order to investigate the detailed lithium ion conductive mechanism from the viewpoint of molecular orbital (MO) method. It was concluded that the very ionic lithium ion in bottleneck accelerates the lithium ion conduction. The calculated MO shows no chemical bonding between lithium ion and other ions. In comparison with the perovskite-type trivalent titanium oxide of LaTiO3, the effect of the titanium's reduction was also investigated. We showed the possibility of the high lithium conductivity in LaTiO3.
2009-01-01
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 ...
2008-07-01
Microstructure and magnetic properties of nanocrystalline Fe75Si20M5 (M = Al, B, Cr) powders
International Nuclear Information System (INIS)
Nanocrystalline Fe75Si20M5 (M = Al, B and Cr) powders were synthesized by mechanical alloying in a planetary ball mill from high purity elemental powders. Evolution of non-equilibrium solid solutions of ?-Fe[Si,(Al, B, Cr)] with a nanocrystalline structure was accompanied by the introduction of a large number of dislocation defects in the course of the milling process. Fe sites get substituted by Si and M (M = Al, B, Cr) atoms during the milling process. The structural change and the resulting disorder are reflected in the changes in the lattice parameter and average magnetic moment of the powders milled for various time periods. The effective magnetic anisotropy increases linearly with the milling time. An increase in coercivity with increasing milling time was observed which could be attributed to the introduction of dislocations and the reduction in the powder particle size during milling. The presence of dislocations and grain boundaries ...
2008-08-21
British Library Electronic Table of Contents (United Kingdom)
In this work, a new sol-gel auto-combustion method has been performed to synthesize single phase nickel ferrite nanocrystalline powders by using n-cetyltrimethylammonium bromide, as a cationic surfactant. The gels were prepared from ferric and nickel nitrates and citric acid. Ammonia was used as pH adjusting agent as well. The effects of the surfactant on the after combustion calcination process and the reduction of the resulting powder crystallite size which affects the magnetic properties of the material were investigated by XRD and DTA/TGA techniques. The results showed that the ignition of the gels in air have a self-propagating behavior. Addition of surfactant to the starting solution affected the crystallite size of the synthesized powders and their phase constitution. The crystallit...
2008-01-01
Nanocrystalline MnO thin film anode for lithium ion batteries with low overpotential
Energy Technology Data Exchange (ETDEWEB)
Nanocrystalline MnO thin film has been prepared by a pulsed laser deposition (PLD) method. The reversible lithium storage capacity of the MnO thin film electrodes at 0.125C is over 472 mAh g{sup -1} (3484 mAh cm{sup -3}) and can be retained more than 90% after 25 cycles. At a rate of 6C, 55% value of the capacity at 0.125C rate can be obtained for both charge and discharge. As-prepared MnO thin film electrodes show the lowest values of overpotential for both charge and discharge among transition metal oxides. All these performances make MnO a promising high capacity anode material for Li-ion batteries. (author)
2009-04-15
Microstructure analysis of nanocrystalline powders by X-ray diffraction
International Nuclear Information System (INIS)
The use of X-ray diffraction line profile analysis for the study of nanocrystalline powders is described. The fundamentals of the theory are presented in terms of crystallite/domain size, size distribution, lattice distortion, dislocations density and stacking faults. Line profile parameters and the methods of pattern fitting introduced to overcome the diffraction-line overlap problem are discussed. The approaches based of the integral breadth of the measured line profiles and the Fourier method are discussed. In addition, simplified approaches are also commented. Representative examples are selected to illustrate various cases of microstructure, such as nanomaterials with strain-free spherical nano crystallites, strain-free crystallites with anisotropic crystallite shape, anisotropic crystallites with microstrains and spherical crystallites with dislocation densities and crystallite size distributions. (author)
2001-09-23
Magnetic properties of Fe-Co-Mo-Cu-B nanocrystalline ribbons with stressing surfaces
British Library Electronic Table of Contents (United Kingdom)
Magnetic properties of Fe-Co-Mo-Cu-B alloy system with Co up to 26at.% were investigated. After proper thermal treatment, the nanocrystalline grain remains tiny, the density hardly increases, but the room-temperature saturation attains 1.5T mainly due to a high enough Curie temperature. The generally observed slant hysteresis loops point to ribbon surfaces, which stress the ribbon interior and induce a specific magnetoelastic contribution to hard-ribbon-axis magnetic anisotropy even after vacuum annealing. The effect does not come from cobalt but rather from the lack of silicon. Partial removal of the surfaces resulted in a decrease of the loop tilt.
2011-01-01
International Nuclear Information System (INIS)
The EXAFS-study (Fe, Sn and Ge K-edges) of disordered by mechanical activation binary supersaturated nanocrystalline solid solutions Fe-Al, Fe-Ge, Fe-Sn and Fe-Si is presented. The EXAFS-spectra are processed by solving the inverse binary problem, using the EXAFS-spectrum of the Fe K-edge only or combining the EXAFS-spectra on two K-edges, Fe and Ge or Fe and Sn. The parameters of partial correlation functions indicate chemical short-range ordering, high local static distortions in the lattice, increasing with metalloid content. The macrostructure of other type is forming through an initial, 'local' stage within the bcc lattice.
2007-05-21
Effect of alumina incorporation on restricting grain growth of nanocrystalline tin(IV) oxide
British Library Electronic Table of Contents (United Kingdom)
In this project, nanocrystalline SnO2 powders were successfully prepared by (a) citrate sol-gel and (b) direct precipitation methods. Powders were characterized using thermal analysis techniques (DTA-TG-DSC), X-ray powder Diffraction (XRD), surface area (BET) and electrical conductivity measurements. XRD patterns showed the presence of the cassiterite structure. SnO2 particles, prepared through sol-gel method exhibit crystallite sizes in the range from 3.1 to 22.3 nm when the gel is heat treated at different temperatures up to 900?C. SnO2 nanocrystallites prepared by the precipitation method are comparatively larger in size. The higher specific surface area was obtained for the powder prepared using sol-gel method and the obtained average grain size (d) is relatively large compared with th...
2010-01-01
British Library Electronic Table of Contents (United Kingdom)
In the present work, bulk amorphous and nanocrystalline Al83Fe17 alloys were obtained by consolidation of mechanically alloyed powders. Mechanical alloying of Al-17% Fe powder mixture yielded powder with an amorphous structure. Thermal behaviour of the milling product was examined using differential scanning calorimetry. This investigation revealed that the amorphous phase crystallised above 380^oC. The amorphous powder was compacted under a pressure of 7.7GPa in different conditions: at 380^oC for 600s and at 1000^oC for 180s. Structural investigations of the bulk material revealed that the amorphous structure was retained after consolidation process applied at 380^oC. Compaction under high pressure at 1000^oC caused crystallisation of the amorphous phase and appearance of metastable nano...
2010-01-01
A novel single-step synthesis of N-doped TiO"2 via a sonochemical method
British Library Electronic Table of Contents (United Kingdom)
A novel single-step synthetic method for the preparation of anatase N-doped TiO"2 nanocrystalline at low temperature has been devoleped. The N-doped anatase TiO"2 nanoparticles were synthesized by sonication of the solution of tetraisopropyl titanium and urea in water and isopropyl alcohol at 80^oC for 150min. The as-prepared sample was characterized by X-ray diffraction, transmission electron microscopy, X-ray photoelectron spectroscopy and UV-vis absorption spectrum. The product structure depends on the reaction temperature and reaction time. The photocatalytic activity of the as-prepared photocatalyst was evaluated via the photodegradation of an azo dye direct sky blue 5B. The results show that the N-doped TiO"2 nanocrystalline prepared via sonication exhibit an excellent photocatalytic...
2011-01-01
Layered PrBaCo_2O_5_+_#delta# perovskite as a cathode for proton-conducting solid oxide fuel cells
International Nuclear Information System (INIS)
The layered PrBaCo_2O_5_+_#delta# (PBCO) perovskite oxides were synthesized by modified Pechini method and investigated as a cathode material for solid oxide fuel cells (SOFCs) based on a stable and easily sintered perovskite oxide BaCe_0_._5Zr_0_._3Y_0_._1_6Zn_0_._0_4O_3_-_#delta# (BCZYZ) as electrolyte. The fabricated single cell of NiO-BCZYZ/BCZYZ (#approx#20 #mu#m)/PBCO was operated from 550 to 700 "oC with humidified hydrogen (#approx#5% H_2O) as fuel and the static air as oxidant. The BCZYZ perovskite electrolyte was completely dense after sintered at 1250 "oC for 5 h, lower than that without zinc dopant about 150 "oC. A high open-circuit potential of 1.007 V, a peak power density of 361 mW cm"-"2, and a low polarization resistance of the electrodes of 0.12 #OMEGA# cm"2 was achieved at 700 "oC. The ratio of polarization resistance to total cell resistance decreased with the increase of operating temperature, from ...
2010-04-02
Structural relaxation and crystallization in the Fe-Cr-Si-B and Fe-Cu-Cr-Si-B amorphous alloys
International Nuclear Information System (INIS)
Structural relaxation, crystallization and optimisation processes in soft magnetic amorphous alloys based on iron are examined by applying different experimental techniques: X-ray diffraction analysis, high-resolution electron microscopy, measurements of magnetic and electric properties (permeability, after-effect resistivity). The presented results are discussed in terms of annealing out of microvoids, formation of nanocrystalline phase and changes of effective magnetostriction constant. (author)
2001-09-23
Molecular dynamics simulation of nanoctrystalline nickel: structure and mechanical properties
Energy Technology Data Exchange (ETDEWEB)
Molecular dynamics computer simulations of a dense nanocrystalline Nickel sample are performed on the parallel Cray T3 (EPFL-Lausanne). The sample contains 50 grains with an average size of 3 nm. By perturbing the relaxed configuration elastic and plastic properties are studied. (author) 1 fig., 1 ref.
1996-10-01
Formation of iron oxides during mechanical activation in water
International Nuclear Information System (INIS)
It has been shown that mechanical milling of iron in water results in formation of nanocrystalline magnetite Fe3O4 with an average particle size of 0.6 ?m, saturation magnetization of 77 Am2/kg and coercivity of ?150 A/cm. Along with magnetite, an antiferromagnetic Fe-O phase (?10 wt%), which is an aggregate of small iron-oxygen clusters forms.
2007-05-21
Energy Technology Data Exchange (ETDEWEB)
Praseodymium-doped Bi{sub 4}Ti{sub 3}O{sub 12} (BIT) with various compositions of dopant, Pr (x = 0.5, 0.6, 0.7, 0.8) in Bi{sub 4-x}Pr{sub x}Ti{sub 3}O{sub 12} (BPT) were synthesized using a low temperature wet chemical technique. Powders calcined at 800 deg. C exhibit a single phase polycrystalline perovskite bismuth-layered structure. Randomly oriented plate-like structures were observed under Scanning Electron Microscope (SEM). A small amount of Pr doping (x = 0.5) resulted in dramatically reduced of grain size from 2 {mu}m to less than 50 nm in which Pr plays the role as a grain growth inhibitor. However, by increasing the composition of Pr, bigger grain size of up to 1 {mu}m was observed for x = 0.8 that was caused by diffusion of Pr in the perovskite structure. Dielectric properties showed that dielectric permittivity decreased with the addition of x = 0.50, and increasing with further addition of Pr. Dissipation factor (tan {delta}) ...
2009-05-05
International Nuclear Information System (INIS)
Praseodymium-doped Bi_4Ti_3O_1_2 (BIT) with various compositions of dopant, Pr (x = 0.5, 0.6, 0.7, 0.8) in Bi_4_-_xPr_xTi_3O_1_2 (BPT) were synthesized using a low temperature wet chemical technique. Powders calcined at 800 deg. C exhibit a single phase polycrystalline perovskite bismuth-layered structure. Randomly oriented plate-like structures were observed under Scanning Electron Microscope (SEM). A small amount of Pr doping (x = 0.5) resulted in dramatically reduced of grain size from 2 #mu#m to less than 50 nm in which Pr plays the role as a grain growth inhibitor. However, by increasing the composition of Pr, bigger grain size of up to 1 #mu#m was observed for x = 0.8 that was caused by diffusion of Pr in the perovskite structure. Dielectric properties showed that dielectric permittivity decreased with the addition of x = 0.50, and increasing with further addition of Pr. Dissipation factor (tan #delta#) followed the same trend as ...
2009-05-05
British Library Electronic Table of Contents (United Kingdom)
Praseodymium-doped Bi4Ti3O12 (BIT) with various compositions of dopant, Pr (x=0.5, 0.6, 0.7, 0.8) in Bi4-xPrxTi3O12 (BPT) were synthesized using a low temperature wet chemical technique. Powders calcined at 800degreeC exhibit a single phase polycrystalline perovskite bismuth-layered structure. Randomly oriented plate-like structures were observed under Scanning Electron Microscope (SEM). A small amount of Pr doping (x=0.5) resulted in dramatically reduced of grain size from 2mm to less than 50nm in which Pr plays the role as a grain growth inhibitor. However, by increasing the composition of Pr, bigger grain size of up to 1mm was observed for x=0.8 that was caused by diffusion of Pr in the perovskite structure. Dielectric properties showed that dielectric permittivity decreased with the ad...
2009-01-01
British Library Electronic Table of Contents (United Kingdom)
Abstract A series of compounds with the general formula (La1-xSmx)2Ti2O7 (0-- x --1.0) has been synthesized by a sol-gel method and characterized by XRD, Raman spectroscopy, and scanning electron microscopy (SEM). These compounds are structurally isomorphic to perovskite-type La2Ti2O7 until a substitution rate of x = 0.8. Above this substitution rate (x >-0.8), a biphasic mixture is obtained between the substituted perovskite layered phase and the pyrochlore Sm2Ti2O7 phase. The unusual phosphor (La1-xSmx)2Ti2O7 has been elaborated and its luminescent properties were investigated for low rates of substitution. The emission and excitation spectra were used to study the luminescent properties. The (La1.9Sm0.1)2Ti2O7 powders emit bright red-orange lightunder UV excitation. The emission propert...
2011-01-01
International Nuclear Information System (INIS)
In this Letter, we study the structural, elastic and electronic properties of perovskite semiconductor SrTiO_3 using two different methods: the full-potential linearized augmented plane wave (FP-LAPW) method and the pseudo-potential plane wave (PP-PW) scheme in the frame of generalized gradient approximation (GGA). We have evaluated the ground state quantities such as lattice parameter, bulk modulus and its pressure derivative as well as the elastic constants. Also, we have presented the results of the band structure, densities of states and charge densities. These results were in favourable agreement with previous theoretical works and the existing experimental data. To complete the fundamental characteristics of this compound we have analyzed the thermodynamic properties such as thermal expansion coefficient, and specific heats in the whole pressure range from 0 to 20 GPa and temperature range from 0 to 1200 K.
2009-02-23
Bi-functional oxygen electrodes using Pr-Mn-Fe-based perovskite-type oxides as catalysts
Energy Technology Data Exchange (ETDEWEB)
To develop oxygen electrodes for rechargeable metal-air batteries, the electrochemical behaviour of gas-diffusion-type carbon electrodes loaded with Pr-Mn-Fe-based perovskite-type oxides was examined for the reduction and evolution of oxygen in 8 M KOH at 60 C. Among the oxides tested, Pr{sub 0.2}Ca{sub 0.8}Mn{sub 0.1}Fe{sub 0.9}O{sub 3} gave the highest electrode performances, e.g., current densities of 275 mA/cm{sup 2} (for oxygen reduction) and 225 mA/cm{sup 2} (for oxygen evolution) at -300 and +650 mV vs. Hg/HgO, respectively. The electrode performances were found to depend on both the catalytic activity of the oxides for H{sub 2}O{sub 2} decomposition reaction and the amounts of oxygen desorbed from the oxides. Furthermore, it was confirmed that the small zinc-air battery including the gas-diffusion-type electrode loaded with Pr{sub 0.2}Ca{sub 0.8}Mn{sub 0.1}Fe{sub 0.9}O{sub 3} showed good discharge and charge characteristics. (orig.)
1999-07-01
Phase separation, transport and magnetic properties of La2/3A1/3Mn1-xCoxO3, A=Ca, Sr (0.5x1)
British Library Electronic Table of Contents (United Kingdom)
We present the low-temperature physical properties of the polycrystalline perovskite systems La2/3A1/3Mn1-xCoxO3, A=Ca, Sr (0.5x1) including electrical resistance, magnetization, ac and dc susceptibilities. The experimental data suggest the presence of correlated ferromagnetic clusters embedded in some non-ferromagnetic matrix. The systems show semiconducting behavior and negative magnetoresistance.
2008-01-01
International Nuclear Information System (INIS)
Perovskite-type cobaltates in the system La2Co1+z(MgxTi1-x)1-zO6 were studied for z=0?x?0.6 and 0?xoC. The space group symmetry of the structure changes from P21/n via Pbnm to R3-bar c with both increasing Mg content and increasing Co content. The La2Co(MgxTi1-x)O6 (z=0) compounds show anti-ferromagnetic couplings of the magnetic moments for the Co below 15 K for x=0, 0.1 and 0.2. XANES spectra show for the compositions 0?x?0.5 a linear decrease in the L3/(L3+L2) Co-L2,3 edge branching ratio with x, in agreement with a decrease of the average Co ion spin-state, from a high-spin to a lower-spin-state, with decreasing nominal Co2+ ion content. -- Graphical abstract: XRPD patterns for perovskite compounds along the lines La2Co(MgxTi1-x)O6 and La2Co1+z(Mg0.5Ti0.5)1-zO6. Display Omitted Research Highlights: ?Tuning of the oxidation state of Co in the perovskite system La2Co1+z(Mtem La2Co1+z(MgxTi1-x)1-zO6, z=0?x?0.6 and ...
2011-01-01
Perovskite-type SrTi1-xNbx(O,N)3 compounds: Synthesis, crystal structure and optical properties
International Nuclear Information System (INIS)
The synthesis, crystal structure, thermal stability and absorbance spectra of perovskite-type oxynitrides with the general formula SrTi1-xNbx(O,N)3 (x=0.05, 0.10, 0.20, 0.50, 0.80, 0.90, 0.95) have been investigated. Oxide samples were prepared by a polymerized complex synthesis route and post-treated under ammonia at 850 oC for 24 h to substitute nitrogen for oxygen. Synchrotron X-ray powder diffraction (XRD) evidenced that the mixed oxide phases were all transformed into oxynitrides with perovskite-type structure during a thermal ammonolysis. SrTi1-xNbx(O,N)3 with compositions x?0.80 crystallized in a cubic and samples with x?0.90 in a tetragonal structure. The Rietveld refinement indicated a continuous enlargement of the lattice parameters towards higher niobium content of the samples. Thermogravimetric analysis (TGA) and hotgas extraction revealed the dependence of the nitrogen incorporation upon the degree of niobium substitution. It ...
2011-04-01
Evaluation of carbon substrates for bifunctional air electrodes applied in zinc-air-batteries
Energy Technology Data Exchange (ETDEWEB)
The key component for improving the energy efficiency and cycle life of the electrically rechargeable zinc-air battery is the bifunctional air electrode. The air electrodes described in this paper contained different types of carbon black as the substrate for the perovskite catalyst (La{sub 0.6}Ca{sub 0.4}CoO{sub 3}). Morphological and physical properties of the carbon substrates play an important role in enhancing the activity and stability of the bifunctional air electrode. Current-potential curves and cycle-life tests were applied in order to gather information on the activity and stability of these electrodes. (authors)
2000-07-01
Development and cycle test of zinc-oxygen cells
Energy Technology Data Exchange (ETDEWEB)
For the development of a rechargeable zinc/air battery, La{sub 0.6}Ca{sub 0.4}CoO{sub 3}-catalyzed (perovskite) bifunctional oxygen electrodes and pasted zinc electrodes were prepared and tested in monopolar zinc/air cells. The cells were cycled in moderately alkaline electrolyte. The maximum power as well as the cycle life of the cells were investigated. Up to 450 cycles could be reached, and attractive specific energies and powers were obtained. (author) 3 figs., 4 refs.
1995-07-01
CaSnO3:. a high capacity anode material for Li-ion batteries
Calcium stannate (CaSnO3) powders with the distorted perovskite structure have been synthesized by solid state and the sol-gel methods and their electrochemical performance was compared. The sol-gel CaSnO3 shows stable cycling performance with a reversible capacity of 430-440 mAh/g (0.005-1.0 V; 60 mA/g) up to 50 cycles. The role of preparatory conditions, morphology and cycling conditions (current density and potential window) on the anodic performance of the compounds are addressed.
2002-12-01
International Nuclear Information System (INIS)
The layered GdBa_0_._5Sr_0_._5Co_2O_5_+_#delta# (GBSC) perovskite oxides are synthesized by modified Pechini method and investigated as a novel cathode material for solid oxide fuel cells (SOFCs) based on a stable perovskite oxide BaCe_0_._5Zr_0_._3Y_0_._1_6Zn_0_._0_4O_3_-_#delta# (BCZYZ) as electrolyte. The fabricated single cells of NiO-BCZYZ/BCZYZ (#approx#20 #mu#m)/GBSC (#approx#20 #mu#m) were operated from 550 to 700 "oC with humidified hydrogen (#approx#5% H_2O) as fuel. The BCZYZ perovskite electrolyte was completely dense after sintered at 1250 "oC for 5 h, lower than that without zinc dopant about 150 "oC. An open circuit voltage of 1.009 V and a maximal power density of 0.35 W cm"-"2 were achieved at 700 "oC. The interfacial polarization resistance was as low as 1.46, 0.45, 0.25 and 0.15 #OMEGA# cm"2 at 550, 600, 650 and 700 "oC, respectively. The ratio of polarization resistance to total cell resistance decreased ...
2010-04-30
International Nuclear Information System (INIS)
BaZr_0_._1Ce_0_._7Y_0_._2O_3_-_#delta# (BZCY7) exhibits adequate proton conductivity as well as sufficient chemical and thermal stability over a wide range of SOFC operating conditions, while layered GdBa_0_._5Sr_0_._5Co_2O_5_+_#delta# (GBSC) perovskite deposited on a doped ceria electrolyte demonstrates advanced electrochemical properties. This research fully takes advantage of these advanced properties and develops novel protonic ceramic membrane fuel cells (PCMFCs) of Ni-BZCY7|BZCY7|GBSC. The results show that the open-circuit potential of 1.003 V, maximum power density of 430 mW cm"-"2, and a low polarization resistance of the electrodes of 0.08 #OMEGA# cm"2 are achieved at 700 "oC. With temperature increases, the total cell resistance decreases, among which electrolyte resistance becomes increasingly dominant over polarization resistance. The results also indicate that GBSC perovskite cathode is a good candidate for intermediate ...
2010-04-30
Structure and magnetic properties of nanocrystalline Fe-Mo alloys prepared by mechanosynthesis
International Nuclear Information System (INIS)
Nanocrystalline samples of Fe_8_0Mo_2_0 and Fe_5_0Mo_5_0 alloys were prepared by the mechanical milling method. The structure, lattice parameters, and crystallite size were determined by the X-ray diffraction. The magnetic properties of the milled products were determined by the Moessbauer spectroscopy. It was observed that in the case of the Fe_8_0Mo_2_0 alloy a solid solution of Mo in Fe was formed with the lattice parameters of the Fe increasing from 0.28659 nm to 0.29240 nm and the crystallite size decreasing from 250 nm to 20 nm. In the case of the Fe_5_0Mo_5_0 alloy there were no clear changes in values of the lattice parameters of Fe and Mo during the milling process, but the crystallite size decreased from 200 to 15 nm. Moessbauer spectra revealed different magnetic phases in the machanosynthesized Fe_Mo samples. In the case of the Fe_8_0Mo_2_0 alloy, the spectrum for the milled mixture indicated the formation of solid solution. In contrast, for the ...
2001-09-23
Energy Technology Data Exchange (ETDEWEB)
Dye-sensitized nanocrystalline TiO{sub 2} solar cells are currently under development. Since these cells contain an electrolyte solution we reviewed the health and safety aspects in view of indoor applications, where personal contact cannot be excluded. Only small amounts of chemicals are present in each cell and so there is no danger of acute toxicity. However, long-term effects often can be caused by incidental contact with minute amounts. For this reason we have tested cis-di(thiocyanato)-bis(4,4'-dicarboxy-2,2'-bipyridine)Ru(II), the sensitizer dye in the Ames test. The dye was not mutagenic in the Salmonella typhimurium reverse mutation assay and in the Escherichia coli reverse mutation assay.
2000-01-01
Low-temperature synthesis and room temperature ultraviolet lasing of nanocrystalline ZnO films
Energy Technology Data Exchange (ETDEWEB)
Nanocrystalline ZnO films were fabricated via a simple method involving the oxidation of Zn films at a remarkably low temperature of 380 C. X-ray diffraction study confirmed that the Zn films were completely oxidized even at the low temperature of 380 C and the ZnO films fabricated were of polycrystalline wurtzite structure. Room temperature optical pumping using a frequency-quintupled Q-switched Nd:YAG laser ({lambda}=213 nm) exhibited that sharp peaks at around 3.12 eV emerged above excitation powers of {proportional_to}7 MW/cm{sup 2}, demonstrating lasing in the ZnO films. These results represent that the process is a simple, promising approach for fabricating ZnO of sufficient optical performance for use as ultraviolet (UV) light emitters and an alternative UV laser source; both are key components in short-wavelength photonic devices. (orig.)
2005-02-01
International Nuclear Information System (INIS)
Formation of the soft magnetic nanostructure in amorphous Fe_1_4Ni_4_0Zr_7B_1_2 alloy due to heat treatment is studied by the Moessbauer, differential scanning calorimetry, and X-ray diffraction techniques. Annealing at temperatures 520-580 "oC leads to the formation of extremely soft nanocrystalline alloy as revealed by the rf-Moessbauer measurements. The superparamagnetic behaviour was observed for the alloy annealed at 620-640 "oC. At higher annealing temperatures good soft magnetic properties deteriorate. (author)
2001-09-23
Impacts of amorphous metal-based transformers on energy efficiency and environment
International Nuclear Information System (INIS)
Magnetic properties of a recently developed Fe-based amorphous alloy with a high saturation induction of 1.65 T are reviewed. The increased saturation induction is fully utilized in transformers with reduced magnetic losses, physical sizes and audible noises, minimizing some of the drawbacks of amorphous metal-based transformers based on a currently available amorphous alloy. Impacts of this on the worldwide energy savings and reduction of greenhouse gas emissions are discussed. A recent effort in achieving a saturation induction beyond 1.65 T in nanocrystalline alloys is mentioned.
2008-10-01
Electron microscopy and X-ray diffraction study of AlN layers
International Nuclear Information System (INIS)
AlN nanocrystalline layers and superstructures are used in the modern optoelectronic technology as reflecting mirrors in semiconductor layers. In the present work the properties of AlN films prepared by sputtering methods from an AlN target in reactive Ar + N plasma were investigated. The characterization was performed with HRTEM, SEM, glancing angle XRD and RBS methods. The present measurements confirmed the polycrystalline structure of AlN layers and enabled the evaluation of their grain size. The roughness and thickness of the layers were additionally determined by ellipsometric and profilometric measurements. (author)
2001-09-23
Mapping Strain in Nanocrystalline Nitinol: an X-ray Diffraction Method (SULI paper)
Energy Technology Data Exchange (ETDEWEB)
Understanding the mechanical properties of biomedical devices is critical in predicting and preventing their failure in the body. Such knowledge is essential, for example, in the design of biomedical stents, which must undergo repeated strain over their ten year lifetimes without breaking. Computational models are used to predict mechanical response of a device, but these models are not complete; there are significant deviations from the predictions, especially when devices are subjected to repeated multi-axial loads. Improving these models requires comparisons with actual measurements of strained nitinol. Local measurements of the full strain tensor can be made using X-ray diffraction techniques, but they are currently limited to materials whose grain size is larger than the X-ray beam size or require several diffraction patterns produced by rotation of the sample. Nitinol stents are nanocrystalline, with grains smaller than any available X-ray beam. We present a ...
2006-01-04
Orbital ordering, ferroelasticity, and the large pressure induced volume collapse in PbCrO3
We report a new tetragonal ground-state for perovskite-structured PbCrO3 from DFT+U calculations, and explain its anomalously large volume. The new structure is stabilized due to orbital ordering of Cr-d in the presence of a large tetragonal crystal field, mainly due to off-centering of the Pb atom. At higher pressures (smaller volumes) there is a first-order transition to a cubic phase where the Cr-d orbitals are orbitally liquid. This phase-transition is accompanied by a ~11.5% volume collapse, one of the largest known for transition-metal oxides. The large ferroelasticity and its strong coupling to the orbital degrees of freedom could be exploited to form potentially useful magnetostrictive materials
2011-01-01
Energy Technology Data Exchange (ETDEWEB)
This illustrated final report for the Swiss Federal Office of Energy (SFOE) presents the results of a project concerning a new, highly active oxygen reduction electrode for PEM fuel cell and zinc/air battery applications. The goal of this project was, according to the authors, to increase the efficiency of the oxygen reduction reaction by lowering the activation polarisation through the right choice of catalyst and by lowering the concentration polarisation. In this work, carbon nanotubes are used as support material. The use of these nanotubes grown on perovskites is discussed. Theoretical considerations regarding activation polarisation are discussed and alternatives to the use of platinum are examined. The results of experiments carried out are presented in graphical and tabular form. The paper is completed with a comprehensive list of references.
2008-04-15
Energy Technology Data Exchange (ETDEWEB)
The magnetic susceptibility and electrical resistivity in cerium and neodymium titanate bronzes in Ln/sub 2/3+x/TiO/sub 3+y/ of the perovskite structure were investigated in the temperature range 77-450/sup 0/K. The deviation of the 1/x = f(T) dependence from the Curie-Weiss law, found for a majority of the compositions, was interpreted from the crystal-field effect based on the state of the Ce/sup 3 +/ and Nd/sup 3 +/ cations. For a number of the phases, a transition from metallic conductivity at high temperatures to semiconducting conductivity was detected at temperatures below 200-250/sup 0/K, which agrees well with the conclusion about the temperature dependence of x, related to the subsystem of Ti/sup 3 +/ cations.
1987-01-01
Development of rechargeable monopolar and bipolar zinc/air batteries
Energy Technology Data Exchange (ETDEWEB)
For the development of a rechargeable zinc/air battery, La[sub 0.6]Ca[sub 0.4]CoO[sub 3]-catalyzed (perovskite) bifunctional oxygen electrodes and pasted zinc electrodes were prepared and tested in monopolar zinc/air cells. In addition, a bipolar Zn/air stack was tested using reticulated copper foam as substrate for the zinc deposit. The cells were cycled in moderately alkaline ZnO-saturated electrolyte with KF as an electrolyte additive. The maximum power as well as the cycle life of the cells was investigated. The differences in porosity of the zinc electrode before and after the long-term test were analyzed using mercury porosimetry. (author) 8 figs., 13 refs.
1995-01-01
Course website from Cambridge on ceramic materials. This site contains eight lectures in PDF format (Adobe Reader required), two question sheets, five practicals (including answers), digital movies and further useful links. "There is a strong relationship between the structure of a material and its physical properties. The properties of a material whether mechanical, electrical, optical or magnetic, determine how it can be used in practical applications. In this course, the focus is on the structure / property relationship for ionic materials with electrical properties utilised in various transducer devices. The materials considered include perovskites, which have special polarisation properties exploited in ferroelectric, pyroelectric and piezoelectric devices. Other oxides, such as zirconia, have structures permitting rapid diffusion of ions, making them suitable for use in sensors, fuel cells and batteries. The scientific principles underlying the properties of ...
2007-02-01
VIS harvesting unsymmetrical squaraine dye for dye-sensitized solar cells
British Library Electronic Table of Contents (United Kingdom)
An unsymmetrical squaraine dye which contains an arylamino group was synthesized and used in dye-sensitized solar cells. The molar extinction coefficient of the dye is 77793 M-1 cm-1. Because our synthesized molecule may have no diradical character or the contribution of the diradicaloid component to resonance is quite small, the newly designed squaraine dye has a maximum absorption at 546 nm in the visible region compared with the NIR squaraine sensitizers. Cyclic voltammetry and time dependent density function theory calculation were accomplished to scrutinize the sensitized performance of the dye. Meanwhile, the novel sensitizer has been used to sensitize nanocrystalline TiO2-based solar cell. Under standard global AM 1.5 solar conditions, the squaraine dye-sensitized cell gives a short...
2012-01-01
Thermal stability of cryomilled nanocrystalline aluminum containing diamantane nanoparticles
British Library Electronic Table of Contents (United Kingdom)
The thermal stability of nanoscale grains in cryomilled aluminum powders containing 1% diamantane was investigated. Diamantane is a diamondoid molecule consisting of 14 carbon atoms in a diamond cubic structure that is terminated by hydrogen atoms. The nanostructures of the resulting cryomilled powders were characterized using both transmission electron microscopy (TEM) and X-ray diffraction (XRD) techniques. The average grain size was found to be on the order of 22?nm, a value similar to that obtained for cryomilled Al without diamantane. To determine thermal stability, the powders were heated in an inert gas atmosphere at constant temperatures between 423 and 773?K (0.51T m to 0.83T m) for exposure times of up to 10?h. The average grain size for all powders containing diamantane was obse...
2011-01-01
Structural and optical investigation of sputter deposited hydrophobic chromium oxynitride films
British Library Electronic Table of Contents (United Kingdom)
Nanocrystalline chromium oxynitride films were deposited by reactive RF magnetron sputtering of metallic chromium target in argon and helium atmospheres. The paper deals with consequence of increase in oxygen partial pressure on structural, hydrophobic and optical properties of chromium oxynitride films. The film stoichiometry changes from CrN and Cr2O3 to only Cr2O3 with increase in oxygen partial pressure as evident from X-Ray Diffraction analysis in both cases. The average crystallite size decreases with increase in oxygen partial pressure for both gas atmospheres. The thickness calculated from transmission data and surface profilometer are in good harmony with each other. The deposited films are hydrophobic by nature and the contact angle of the films varies as a function of surface ro...
2011-01-01
British Library Electronic Table of Contents (United Kingdom)
The light-emitting properties of cubic silicon carbide films grown by vacuum vapor phase epitaxy on Si(100) and Si(111) substrates under conditions of decreased growth temperatures (T gr ? 900?700?C) have been discussed. Structural investigations have revealed a nanocrystalline structure and, simultaneously, a homogeneity of the phase composition of the grown 3C-SiC films. Photoluminescence spectra of these structures under excitation of the electronic subsystem by a helium-cadmium laser (?excit = 325 nm) are characterized by a rather intense luminescence band with the maximum shifted toward the ultraviolet (?3 eV) region of the spectral range. It has been found that the integral curve of photoluminescence at low temperatures of measurements is split into a set of Lorentzian components. Th...
2011-01-01
British Library Electronic Table of Contents (United Kingdom)
Nanocrystalline MnFe"2O"4 ferrite was prepared by using autocombustion technique (flash). The microstructure and magnetic properties are studied. The results of XRD and TEM clarified that, this ferrite is nanosized with particle size (39 nm). Magnetic measurements showed a ferromagnetic behavior with T"C = 613 K, the saturation magnetization M"s = 13.71 emu/g, remanent magnetization M"r = 0.1694 emu/g and, coercivity H"c = 25.6 Oe. Natural material, egg white used as an aqueous medium to extend prepare nanoparticles better than other chemical interesting materials.
2011-01-01
International Nuclear Information System (INIS)
A poly(ether urethane) (PEUR)/poly(ethylene oxide) (PEO)/SiO2 based nanocomposite polymer is prepared and employed in the construction of high efficiency all-solid-state dye-sensitized nanocrystalline solar cells. The introduction of low-molecular weight PEUR prepolymer into PEO electrolyte has greatly enhance the electrolyte performance by both improving the interfacial contact properties of electrode/electrolyte and decreasing the PEO crystallization, which were confirmed by XRD and SEM characteristics. The effects of polymer composition, nano SiO2 content on the ionic conductivity and I3- ions diffusion of polymer-blend electrolyte are investigated. The optimized composition yields an energy conversion efficiency of 3.71% under irradiation by white light (100 mW cm-2).
2009-11-01
Generation and relaxation of microstrains in GaN nanocrystals under extreme pressures
International Nuclear Information System (INIS)
Nanocrystalline powders of GaN with grain sizes ranging from 2 to 30 nm were examined under high external pressures by in situ diffraction techniques in a diamond anvil cell at DESY (HASYLAB, Station F3). The experiments on densification of pure powders under high pressure were performed without a pressure medium. The mechanism of generation and relaxation of internal strains and their distribution in nanoparticles was deduced from Bragg reflections recorded in situ under high pressures at room temperature. The microstrain was calculated from the full-width at half-maximum (FWHM) values of the Bragg lines. It was found that microstrains in GaN crystallites are generated and subsequently relaxed by two mechanisms: generation of stacking faults and change of the size and shape of the grains occurring under external stress. (author)
2001-09-23
Electrochemical deposition of indium sulfide thin films using two-step pulse biasing
British Library Electronic Table of Contents (United Kingdom)
Indium sulfide thin films were deposited onto indium-tin-oxide coated glass substrate by electrochemical deposition from an aqueous solution containing In2 (SO4) 3 and Na2S2O3. The deposition conditions were optimized on the basis of data obtained by scanning electron microscope, Auger electron spectroscopy and optical transmission measurements. Furthermore, the photosensitivity of the films was observed by means of photoelectrochemical measurements, which confirmed that the indium sulfide showed n-type conduction. The X-ray diffraction and Raman studies revealed that the as-grown films were amorphous or nanocrystalline in nature and became polycrystalline In2S3 after annealing.
2008-01-01
Development of titanium diboride coatings deposited by PACVD
Energy Technology Data Exchange (ETDEWEB)
TiB{sub 2} appears to be a promising material for the wear protection in various tribological systems, e.g. the diecasting of Al. This study focuses on the development of titanium boride coatings deposited by PACVD, a deposition method which is most suitable for the coating of substrates with complex shapes. All layers analysed are very smooth and exhibit a quasi-amorphous fracture surface. XRD and TEM analysis indicate a nanocrystalline structure with grain sizes in the order of 2 nm. The diffraction patterns can well be correlated to titanium diboride. WDS reveals an over stoichiometric B/Ti ratio. The layer hardness reaches the value of 33 GPa and the critical load in scratch tests rises to 35 N. Neither 100Cr6 nor Al as a counterpart in pin-on-disk tests leads to wear of the coating. (orig.)
2000-09-01
Corrosion behavior of sputter-deposited W-Nb alloys in NaCl and NaOH solutions
International Nuclear Information System (INIS)
The corrosion behavior of the sputter-deposited amorphous or nanocrystalline W-Nb alloys is studied in 10% NaCl, 0.1 and 1 M NaOH solutions at 24 deg. C, open to air using immersion tests and electrochemical measurements. Niobium metal acts synergistically with tungsten in enhancing the corrosion resistance of the W-Nb alloys so as to show lower corrosion rates than the corrosion rates of the alloy-constituting elements in almost all examined solutions. Corrosion rates of W-Nb alloys are about more than one order of magnitude less than that of the sputter-deposited tungsten and even lower than that of sputter-deposited niobium. The stability of the anodic passive films formed on the W-Nb alloys increase with niobium content.
2008-05-29
British Library Electronic Table of Contents (United Kingdom)
In this study a novel sol-gel auto-combustion method, using n-decyltrimethylammonium bromide as a cationic surfactant, has been used to synthesize strontium hexaferrite nanocrystalline powder. The dried nitrate-citrate gel, prepared from a solution of ferric nitrate, strontium nitrate, citric acid, trimethylamine and cationic surfactant, exhibited an auto-combustion behavior after ignition in air. The formation reaction temperature, phase identification, crystallites size, particles size distribution and morphology of resultant strontium hexaferrite powder were investigated by DTA/TGA, FTIR, XRD, LPSA, TEM and SEM techniques. The results showed that in presence of the cationic surfactant, the combustion intensity increases and the crystallite size decreases. The crystallite size of stronti...
2007-01-01
A ZnO nanowire array film with stable highly water-repellent properties
Energy Technology Data Exchange (ETDEWEB)
Highly water-repellent surfaces have been prepared from arrayed nanowires of zinc oxide (ZnO) by a treatment with stearic acid. The layers are electrochemically deposited on a nanocrystalline seed layer from an oxygenated aqueous zinc chloride solution. An advancing contact angle (CA) as high as 176{sup 0} is obtained with a very small hysteresis {approx}1{sup 0}. These results, supplemented by infrared spectroscopy, show that the stearic acid forms a very well-packed self-assembled monolayer. The CA measurements show a very good stability of the treated surface even when exposed to harsh conditions or long-term ambient illumination.
2007-09-12
Suspension and solution plasma spraying of finely structured layers: potential application to SOFCs
International Nuclear Information System (INIS)
Suspension direct current plasma spraying allows achieving finely structured coatings whose thickness is between few tens and few hundreds of micrometres. Drops (200-300 ?m in diameter) or liquid jets are mechanically injected in the plasma jet. With radial injection they are rapidly (a few ?s) fragmented into droplets (a few ?m in diameter). The latter are vaporized (in a few ?s) and the solid particles contained in suspension droplets are accelerated and melted by the plasma jet. As in conventional plasma spraying (CPS), much smaller splats (with diameters between 0.2 and 3 ?m and thicknesses between 30 and 200 nm) are arranged in layers up to form the coating. The low inertia of particles requires spray distances between 40 and 60 mm which induces plasma heat fluxes up to 22 MW m-2 participating in coating densification. Even more than in CPS, the plasma jet fluctuations, particularly for plasmas containing di-atomic gases, perturb drops penetration and fragmentation. It has been ...
2007-04-21
International Nuclear Information System (INIS)
As part of a study into the properties of ferroelectric single crystals at nanoscale dimensions, the effects that focused ion beam (FIB) processing can have, in terms of structural damage and ion implantation, on perovskite oxide materials has been examined, and a post-processing procedure developed to remove such effects. Single crystal material of the perovskite ferroelectric barium titanate (BaTiO_3) has been patterned into thin film lamellae structures using a FIB microscope. Previous work had shown that FIB patterning induced gallium impregnation and associated creation of amorphous layers in a surface region of the single crystal material some 20 nm thick, but that both recrystallization and expulsion of gallium could be achieved through thermal annealing in air. Here we confirm this observation, but find that thermally induced gallium expulsion is associated with the formation of gallium-rich platelets on the surface of the annealed ...
2007-01-24
Preparation of vanadium III oxidic compounds and dehydrogenation of paraffins
Energy Technology Data Exchange (ETDEWEB)
This patent describes the vapor phase catalytic dehydrogenation of a C/sub 2/-C/sub 4/ paraffin by contacting the paraffin with a spinel of the formula A/sup III/V/sub 2-x//sup III/C/sub x//sup III/O/sub 4/, formula (1) or a crystalline perovskite of the formula D/sup III/V/sub 1-y//sup III/C/sub y//sup III/O/sub 3/, formula (2) where A is one or more of Mg, Zn, Mn, Fe, Co, Ni, Cu and Cd; D is oone of more of Y, the rare earths and Bi; C is one or more of Al, Ga, Cr, Fe and Co, x is zero to < 1.9, and y is zero to < 0.9, which spinel or perovskite is made by a process which comprises (1) reducing a pentavalent vanadium oxidic compound to substantially the V/sup 111/ state by heating at 100/sup 0/C or less an aqueous medium slurry of solution of the pentavalent compound containing a reducing agent selected from hydrazine and a hydrocarbylhydrazine, (2) providing in the aqueous medium ether before, during or after the reducing step, A/sup ...
1988-08-09
The composition of the lower mantle can be investigated by examining densities and seismic velocities of compositional models as functions of depth. In order to do this, it is necessary to know the volumes and thermoelastic properties of the compositional constituents under lower mantle conditions. We determined the thermal equation of state (EoS) of MgSiO3 perovskite using the non-empirical VIB interatomic potential with molecular dynamics simulations at pressures and temperatures of the lower mantle. We fit our P-V-T results to a thermal EoS of the form P(V,T) = P0(V,T0) + Delta Pth(T), where T0 = 300 K and P0 is the isothermal Universal EoS. The thermal pressure Delta Pth can be represented by a linear relationship Delta Pth = a + b T. We find V0 = 165.40 A^3, KT0 = 273 GPa, K'T0 = 3.86, a = -1.99 GPa, and b = 0.00664 GPa/K for pressures of 0-140 GPa and temperatures of 300-3000 K. By fixing V0 to the experimentally determined value of 162.49 A3 and calculating ...
2000-01-01
International Nuclear Information System (INIS)
Solid oxide fuel cell (SOFC) is a promising source of power generation in terms of conversion efficiency which is higher than the conventional one, as it is not limited by the Carnot efficiency. Theoretically, the SOFC have an efficiency of the order of 60-80 % but it is limited by the number of active side available for the reaction i.e. TPB (triple phase boundary) at the electrode-electrolyte interface which depends on the particle size of the materials employed during the fabrication of SOFC components (i.e. the method employed during the synthesis). Literally, there are several methods used in the syntheses of oxide materials such as conventional solid-state reaction, co-precipitation, hydrothermal rout, sol-gel and Glycine nitrate process (GNP) but among these GNP found to be effective over the other because of homogeneity, phase purity and smaller particle size of final product. In this work, the Nano-crystalline Ln_0_._6Sr_0_._4Co_0_._8Fe_0_._2O_3_-_#delta# ...
2010-12-01
International Nuclear Information System (INIS)
Full text: It was recently-established for hexagonal barium ferrite-industrially important magnetically hard material that refinement of the crystallite dimensions into the nanoscale regime, typically #<=# 10 nm, leads after heat treatment at temperatures 800-1000 deg C to significant coercivity increase of up to 6.5 kOe (#approx#3-4 times) with saturation magnetisation values of 50-55 emu/g (#approx#95% of bulk at room temperature). High-energy mechanochemical processing has been applied to prepare nanostructural (nanocrystalline-amorphous) composites. High resolution electron microscopy studies reveal that the enhancement of the final magnetic properties was due to formation of magnetically noninteracting #approx#l,#mu#m Ba-ferrite particles with 5-10 nm amorphous surface layer - depending on annealing parameters. Similar situation was established also for ball milled strontium ferrite (SrFe_1_2O_1_9) powders where short annealing 4 h at 1000 deg C produced ...
Chlorophyll assembled electrode for photovoltaic conversion device
Energy Technology Data Exchange (ETDEWEB)
Chlorophyll-a (Chl-a) assembled in hydrophobic domain by fatty acid with long alkyl hydrocarbon chain such as myristic acid (Myr), stearic acid (Ste) and cholic acid (Cho) modified onto nanocrystalline TiO{sub 2} electrode is prepared and the photovoltaic properties of the nanocrystalline TiO{sub 2} film by Chl-a are studied. Incident photon to current efficiency (IPCE) value at 660 nm in photocurrent action spectrum of Chl-a/Ste-TiO{sub 2}, Chl-a/Myr-TiO{sub 2} and Chl-a/Cho-TiO{sub 2} electrodes are 5.0%, 4.1% and 4.1%, respectively. Thus, the IPCE is maximum using Chl-a/Ste-TiO{sub 2} electrode. From the results of photocurrent responses with light intensity of 100 mW cm{sup -2} irradiation or monochromatic light with 660 nm, generated photocurrent increases using Chl-a/Ste-TiO{sub 2} electrode compared with the other Chl-a assembled TiO{sub 2} electrodes. These results show that the hydrophobic domain formed by stearic acid with long alkyl ...
2007-11-20
High tunability of pulsed laser deposited Ba0.7Sr0.3TiO3 thin films on perovskite oxide electrode
British Library Electronic Table of Contents (United Kingdom)
Ferroelectric thin films such as BST, PZT and PLZT are extensively being studied for the fabrication of DRAMS since they have high dielectric constant. The large and reversible remnant polarization of these materials makes it attractive for nonvolatile ferroelectric RAM application. In this paper we report the characterization of Ba0.7Sr0.3TiO3 (BST) thin films grown by pulsed laser ablation on oxide electrodes. The structural and electrical properties of the fabricated devices were studied. Growth of crystalline BST films was observed on La0.5Sr0.5CoO3 (LSCO) thin film electrodes at relatively low substrate temperature compared to BST grown on PtSi substrates. Electrical characterization was carried out by fabricating PtSi/LSCO/BST/LSCO heterostructures. The leakage current of the heteros...
2011-01-01
High Throughput Screening for the Discovery of More Efficient Catalysts for Emissions Control
Energy Technology Data Exchange (ETDEWEB)
High-throughput synthesis and screening methods have been developed for the discovery of highly active catalysts for the control of emissions from stationary and mobile sources. Low temperature CO oxidation, CO methanation, NOx abatement and the destruction of Volatile Organic Compounds (VOCs) will be discussed. The discovery libraries for primary screening consisted of both 11x11 and 16x16 catalyst arrays on 3 inch and 4 inch quartz wafers, respectively. Catalysts were prepared by robotic liquid dispensing techniques and screened for catalytic activity in Symyx's Scanning Mass Spectrometer. The screening protocols encompassed mixed metal oxides, perovskites and supported base and noble metals. Active hits were further optimized in focus libraries using shallower compositional gradients. The ScanMS is a fast serial screening tool that uses flat wafer catalyst surfaces, local laser heating, a scanning/sniffing nozzle and a quadrupolar mass spectrometer to ...
2004-03-31
Competition of ferromagnetism and superconductivity in Sc3InB
We present results of electronic structure calculations for the intermetallic perovskite Sc3InB with the full-potential KKR-LDA method. Sc3InB is a very promising candidate for a new superconductor (related to 8 K MgCNi3) and can be regarded as a boron-inserted cubic Sc3In, which is a high-pressure allotropic form of the hexagonal weak ferromagnet Sc3In. We predict that cubic Sc3In can also be magnetic, whereas Sc3InB having large DOS in the vicinity of E F exhibits non-magnetic ground state. Estimation of the electron-phonon coupling for Sc3InB gives 1. Furthermore, the effect of vacancies in Sc3InB1-x and antisite disorder in Sc3(In-B) on critical parameters is also discussed using the KKR-CPA method. All theoretical results support the possibility of the superconductivity onset in Sc3InB. Preliminary experimental measurements established the transition temperature close to 4.5 K, with a very abrupt change in susceptibility and a correlated drop of the ...
2006-01-01
International Nuclear Information System (INIS)
In this study, perovskite type oxide YAlO_3 has been doped with different amounts of the divalent cation Ca to synthesize Y_1_-_xCa_xAlO_3_-_#delta# (x = 0-0.21) compositions. The effect of dopant concentration on the crystal structure and electrical properties of YAlO_3 synthesized by citrate gel route has been investigated. The phase purity of the samples has been carried out using X-ray diffraction. The microstructural evaluation of the samples has been conducted by scanning electron microscopy and energy dispersive spectrum analysis. Thermal analysis has been conducted to monitor the decomposition of the intermediate products. The electrical conductivity studies have been performed using a.c. impedance spectroscopy as a function of temperature in the range 200-800 "oC in air. The Y_0_._9_4Ca_0_._0_6AlO_3_-_#delta# composition exhibits a total conductivity of 2.5 mS/cm at 800 "oC.
2010-04-30
Turnover of texture in low rate sputter-deposited nanocrystalline molybdenum films
International Nuclear Information System (INIS)
The crystallite size and orientation in molybdenum films prepared by magnetron sputtering at a low rate of typical 1 (angstrom)s and a pressure of 0.45 Pa was investigated by X-ray diffraction and texture analysis. The surface topography was studied using atomic force microscopy. Increasing the film thickness from 20 nm to 3 microm, the films show a turnover from a (110) fiber texture to a (211) mosaic-like texture. In the early state of growth (20 nm thickness) the development of dome-like structures on the surface is observed. The number of these structures increases with film thickness, whereas their size is weakly influenced. The effect of texture turnover is reduced by increasing the deposition rate by a factor of six, and it is absent for samples mounted above the center of the magnetron source. The effect of texture turnover is related to the bombardment of the films with high energetic argon neutrals resulting from backscattering at the target under oblique angle and causing ...
1997-04-04
International Nuclear Information System (INIS)
Electrodeposition of semiconducting iron oxide (Fe_2O_3) thin film was carried out from an alkaline sulphate bath. A 0.1 M ferrous sulphate (FeSO_4#centre dot#7H_2O) was complexed with 0.1 M citric acid. By addition of 1 N NaOH, pH of the solution was made alkaline (pH=9) and deposition of iron oxide (Fe_2O_3) thin films was carried out potentiostatically at room temperature (300 K). From cyclic voltametry (CV), electrochemical studies were carried out for deposition of iron oxide thin films. The XRD studies reveal that Fe_2O_3 with epsilon (#epsilon#) phase having monoclinic crystal structure is formed. By observing scanning electron microscope (SEM), it is seen that iron oxide films were homogeneous, uniform and well covered to surface of the substrate. Grain size was found to be in nanometers range from XRD analysis. The optical band gap of Fe_2O_3 thin film was estimated to be 1.90 eV. Electrical resistivity was order of 10"4 #OMEGA# cm. Dielectric constant and loss (tan #delta#) ...
2003-09-28
Sintering of nano-sized WC-Co powders produced by a gas reduction-carburization process
Energy Technology Data Exchange (ETDEWEB)
Nanocrystalline cemented tungsten carbide has attracted considerable interests for use in cutting tool because of its superior mechanical properties. In this study, nano-sized powders of mixed WC and Co were prepared from attrition-milled oxides by a gas reduction-carburization process. The effects of compacting pressure, heating schedule, additional ball-milling, and the presence of a grain growth inhibitor on the sintering properties of the nano-sized WC-Co powders were examined. The grain size and phases in WC-Co alloy were clearly affected by compacting pressure. Because of the trapped gases and the lower melting point of the cobalt binder, when a compact of nano-sized WC-Co powder was sintered through a heating schedule with holding steps, the sintered alloy maintained the small size of WC grains without any {eta} phase. In addition, the additional ball-milling improved the microstructure and mechanical properties of the nano-sized WC-Co powder by producing a ...
2006-08-10
Sintering of nano-sized WC-Co powders produced by a gas reduction-carburization process
International Nuclear Information System (INIS)
Nanocrystalline cemented tungsten carbide has attracted considerable interests for use in cutting tool because of its superior mechanical properties. In this study, nano-sized powders of mixed WC and Co were prepared from attrition-milled oxides by a gas reduction-carburization process. The effects of compacting pressure, heating schedule, additional ball-milling, and the presence of a grain growth inhibitor on the sintering properties of the nano-sized WC-Co powders were examined. The grain size and phases in WC-Co alloy were clearly affected by compacting pressure. Because of the trapped gases and the lower melting point of the cobalt binder, when a compact of nano-sized WC-Co powder was sintered through a heating schedule with holding steps, the sintered alloy maintained the small size of WC grains without any #eta# phase. In addition, the additional ball-milling improved the microstructure and mechanical properties of the nano-sized WC-Co powder by producing a ...
2006-08-10
International Nuclear Information System (INIS)
Iron oxide thin films have been obtained by spray pyrolysis using 100% methanolic and ethanolic solutions of iron tri-chloride. The films were deposited onto ITO-coated glass substrates. The preparative conditions have been optimized to obtain compact, pin-hole-free and smooth thin films which are adherent to the substrate. The structural, morphological and compositional characterizations have been carried out by X-ray diffraction, scanning electron microscopy and energy dispersive X-ray analysis. The films deposited using ethanolic solution results into pure hematite; #alpha#-Fe_2O_3 thin films, however, films deposited using methanolic solution consists of hematite and maghemite-c phases of iron oxide. The films are nanocrystalline with particle size of 30-40 nm. The optical absorbance of the film was of the order of 10"5 cm"-"1. The optical band gap of films was found to be 2.26 and 2.20 eV for the films deposited using methanolic and ethanolic solutions, ...
2006-01-15
Preparation and characterization of d.c.-plated nanocrystalline nickel deposits
International Nuclear Information System (INIS)
The microstructure, microhardness, corrosion, and wear resistance of d.c.-plated Ni electrodeposits prepared from different types of electrolysing Watts-type baths, without or with organic compounds, ceramic powder - SiC and polymer - polytetrafluoroethylene (PTFE), on Cu substrate, which was subsequently removed from the deposits, were investigated. With the change of the type of bath, the deposit grain size was found to decrease markedly, e.g. deposits with an average grain size of about 50 nm could be produced from the bath containing 45 g/dm"3 Ni"2"+ ions, 5 g/dm"3 SiC, and 20 g/dm"3 PTFE. The surface morphology on the bath side of the electrode-posited Ni or Ni-SiC-PTFE foils was characteristic of the type of bath, and its roughness correlated well with the observed grain size. Microhardness and wear resistance increased with decreasing grain size, as expected. On discussing the factors controlling deposit grain size, it is concluded that the Ni"2"+ ion content in the bath and the ...
2001-09-23
Energy Technology Data Exchange (ETDEWEB)
There has been considerable interest in producing and studying nanoparticle materials because of the effect of size on their structure, physical and chemical structure. Most studied nanoparticle semiconductors belong to the II-VI group, as they are relatively easy to synthesize and are generally prepared as particulates or in thin film form. Among II-VI compounds, CdS is one of the most studied materials. There are different ways to synthesize CdS nanoparticles such as colloidal particles, chemical decomposition, sol-gel, gas evaporation, magnetron sputtering, electrostatic deposition, and etc. {gamma}-irradiation is one of the effective methods for synthesis of nanomaterials. These nonomaterials have been extensively used in the preparation of nanocrystalline metals, metal oxides, and metal-polymer composites. However, The preparation of CdS nanoparticle and CdS/ polyacrylonitrile nanocomposite by {gamma}-irradiation method at room temperature and ambient ...
2001-11-15
Physical properties of shape-controlled TiO_2 nanoparticles
International Nuclear Information System (INIS)
The synthesis of narrowly dispersed nanocrystalline TiO_2 was investigated with a surfactant aided solvothermal synthetic method in toluene solutions. When a sufficient amount of titanium isopropoxide, Ti[OCH(CH_3)_2]_4 (TIP), was added to the solution, the shapes of TiO_2 nanoparticles changed from spheres to rods. The aggregated microstructures of the nano-sized TiO_2 in systems of spheres, rods, and mixtures of spheres and rods was studied using TEM. The morphological shape of the aggregation was described in terms of the fractal dimensions. We used a box-counting method to get the fractal dimension of these systems. The fitted fractal dimensions for spheres, sphere/rod mixtures, and rods are D = 1.54, D = 1.81, and D = 1.89, respectively. The fractal dimension changed from 1.54 to 1.9 with the TIP/toluene ratio, indicating that the growth mechanism for aggregations showed different behaviors.
2005-11-01
Electrochemical hydrogen storage of ball-milled MmMg{sub 12} alloy-Ni composites
Energy Technology Data Exchange (ETDEWEB)
MmMg{sub 12}-Ni amorphous or nanocrystalline composites (Mm: Ce-rich mischmetal) were prepared through the ball-milling method, and their electrochemical hydrogen storage performance was investigated and compared with that of ball-milled CeMg{sub 12}-Ni composites. It was found that the ball-milled MmMg{sub 12}-Ni composites had larger initial discharge capacities and better high rate dischargeability. Analysis of electrochemical impedance spectra (EIS) shows that the reaction resistance and hydrogen diffusion resistance of the ball-milled MmMg{sub 12}-Ni composites are lower as a result of the decrease in Ce content, and thus can contribute to the larger discharge capacity and better high rate dischargeability. Additionally, the cycle performance of the ball-milled MmMg{sub 12}-Ni composites is better than those of the ball-milled CeMg{sub 12}-Ni composites. This may be related to the formation of a Nd oxide or Nd(OH){sub 3} film on surface of the MmMg{sub 12} ...
2010-04-15
Energy Technology Data Exchange (ETDEWEB)
Studies were conducted of the bifunctional oxygen electrode. The development of a rechargeable metal-oxygen (air) cell has been hampered to a great extent by the lack of a stable and cost effective oxygen electrode capable of use during both charge and discharge. The first type of bifunctional electrode consists of two distinct catalytifc layers. The oxygen reduction catalyst layer containing a supported gold catalyst is in contact with a hydrophilic nickel layer in which evolution of oxygen takes place. Loadings of gold from 0.5 to 1.0 mg/cm/sup 2/ were investigated; carbon, graphite, metal, and spinel oxides were evaluated as substrates. The second part of the research effort was centered on developing a reversible oxygen electrode containing only one catalytic layer for both reduction and evolution of oxygen. The work was directed specifically to the study of perovskite type of oxides with the composition AA/sup 1/BO/sub 3/ where A is an element of the ...
1986-12-01
Trace elements in the Allende meteorite
International Nuclear Information System (INIS)
New RNAA determinations of Ba, Sr, Zr, U, Re, Pd, Ag, Zn and Se and INAA measurements of Lu are added to published data for 21 other elements in the same suite of ten samples. On the average, 21 refractory elements are not significantly fractionated from one another. The mean of their enrichment factors relative to C1 chondrites is 17.5 +- 0.4, indicating that the high-temperature condensate inclusions represent 5.7 wt% of the total condensable matter. Os, Ir, Ru, Re and most of the W condensed in one or more refractory siderophile element alloys along with small fractions of the Pd, Co, Au and Ag. The bulk of the Eu and Sr condensed in solid solution in melilite. Sc, Zr, Hf, Ta, U and the remaining REE condensed in a phase whose abundance in the inclusions in negatively correlated with that of melilite, either diopside or one or more minor or trace phases, including perovskite. Ba condensed in a different phase, separately from all these elements. In individual ...
1977-01-01
Synthesis, structure and characterisation of the n=4 Aurivillius phase Bi5Ti3CrO15
International Nuclear Information System (INIS)
The n=4 Aurivillius phase, Bi5Ti3CrO15, was synthesised by solid state reaction. Rietveld analysis of high resolution neutron diffraction data demonstrated this material to adopt the polar space group A21am at room temperature, transforming to the aristotype I4/mmm structure above 650 oC. This phase transition is coincident with an anomaly in DSC signal and relative permittivity, which are characteristic of a ferroelectric-paraelectric phase transition. Bi5Ti3CrO15 exhibits paramagnetic behaviour at low temperature, with short range antiferromagnetic interactions, but no evidence for long range magnetic ordering. This is considered a consequence of significant disorder of Ti and Cr over the available octahedral sites, as demonstrated by analysis of neutron diffraction data. -- Graphical abstract: We report here the synthesis, structure and characterisation of the n=4 Aurivillius phase Bi5Ti3CrO15. Analysis of neutron powder diffraction and XANES data, supported by Madelung energy ...
2011-02-01
Preparation of vanadium III oxidic compounds, and dehydrogenation of paraffins
Energy Technology Data Exchange (ETDEWEB)
A process is described for making a compound selected from a crystalline spinel of the formula A/sup II/V/sub 2-x//sup III/C/sub x//sup III/O/sub 4/ formula (1) or a crystalline perovskite of the formula D/sup III/V/sub 1-y//sup III/C/sub y//sup III/O/sub 3/ formula (2) from a pentavalent vanadium compound, where A is one or more of Mg, Zn, Mn, Fe, Co, Ni, Cu and Cd; D is one ore more of Y, the rare earths and Bi; C is one or more of Al, Ga, Cr, Fe and Co, x is zero to <2, and y is zero to<1. The process comprises (1) reducing a pentavalent vanadium oxidic compound to substantially the V/sup III/ state by heating at 100/sup 0/C. or less an aqueous medium slurry or solution of the pentavalent compound containing a reducing agent selected from hydrazine and a hydrocarbylhydrazine, (2) providing in the aqueous medium either before, during or after the reducing step, A/sup II/, D/sup III/ and C/sup III/ cations in solution in the ratio called for by the selected ...
1988-04-12
Magnetic properties of laminated perovskite-like ferroelectromagnetics
International Nuclear Information System (INIS)
Magnetic properties of layer ferromagnets against the thickness are investigated. Two new compounds served for studies: Bisub(6)Tisub(2)Nbsub(0,5)Fesub(2,5)Osub(18) and Bi_7Ti_3Fe_3O_2_1. The Moessbauer effect and the magnetic susceptibility measurements were applied in the experiment. The Faraday method was used in magnetic measurements in fields from 1 to 9,5 kOe. The results of Moessbauer measurements show that temperature dependence of the spectra is typical for compounds with superparamagnetic properties. The magnetic fields Hsub(n) on Fe"5"7 nuclei in Bisub(6)Tisub(2)Nbsub(0,5)Fesub(2,5)Osub(18) and Bi_7Ti_3Fe_3O_2_1 are similar and equal to 520+-10 kOe. Therefore it may be concluded that relaxation times of nuclear spins in these compounds are equal or close to each other. The lines of quadrupole splitting appear in spectra together at 20 K. The results of magnetic measurements show that the Curie-Weiss law is satisfied in the range of high temperatures for magnetic ...
1975-01-01
Dielectric and piezoelectric properties of K0.5Na0.5NbO3-AgSbO3 lead-free ceramics
Lead-free piezoelectric ceramics (1-x)K0.5Na0.5NbO3-xAgSbO3+0.75 mol % MnO2 were prepared by a conventional solid-state sintering technique, and the piezoelectric and dielectric properties of the ceramics were studied. The results of x-ray diffraction suggest that AgSbO3 diffuses into the K0.5Na0.5NbO3 lattices to form a new solid solution with a single-phase orthorhombic perovskite structure. After the addition of AgSbO3, the paraelectric cubic-ferroelectric tetragonal phase transition temperature (TC) and the ferroelectric tetragonal-ferroelectric orthorhombic phase transition temperature (TO-T) decrease, and the ceramics become ``softened,'' resulting in significant improvements in the ferroelectric and piezoelectric properties. The ceramics with x=0.03-0.10 exhibit excellent piezoelectric properties: d33=130-216 pC/N, kp=0.44-0.51, and kt=0.40-0.52. The ceramics also exhibit a good thermal stability up to high TO-T, suggesting that the ceramics are promising ...
2009-08-01
Energy Technology Data Exchange (ETDEWEB)
Samarium cobaltite ceramic perovskites, with and without platinum particles dispersion, are possible candidates as electrode for electrochemical conversion of hydrocarbon and for intermediate temperature solid oxide fuel cells (ITSOFC). In this work, samarium cobaltites were synthesized by the combustion method using cobalt, and samarium nitrates as cation precursors and urea as fuel. For containing-platinum compositions Pt (II) acetyl acetonate was also employed as precursor. The effect of Sr on the phase formation and its electrical behavior is also studied. Specific surface area (BET), SEM-EDX, TEM and XRD analysis are used to characterize the powders obtained. Powders were pressed into pellets and sintered in air in the temperature range of 1200 -1400 C. Electrical impedance spectroscopy studies (EIS) are performed on sintered samples. The as-prepared powders showed an amorphous structure and by TEM a very small particle size ({proportional_to}10 nm) was ...
2002-07-01
Energy Technology Data Exchange (ETDEWEB)
By magnetron sputtering model steel films with specific properties can be prepared for purposive surveys. By changing the deposition parameters certain properties of these films can be influenced. For this thesis steel films with 18% Cr and 8% Ni have been prepared in order to study specific parameters on the corrosion resistance of bulk stainless steel. Chemical composition, microstructure, and surface morphology of these films have been characterized. In comparison to bulk steel sheets with the same chemical composition they have a smaller grain size and a ferritic structure. In contrast to bulk steel sheets they don`t contain any nonmetallic inclusions like Mn-sulfides. The influence of these structural differences on the corrosion resistance has been studied. For this purpose the electrochemical properties of the sputter-deposited steels have been compared with the properties of steel sheets with a similar chemical composition (DIN 1.4301, AISI 304) in neutral and acidic Cl{sup ...
1995-12-31
Optical characterization of long-term ordered and nanocrystalline GaP
International Nuclear Information System (INIS)
The paper generalizes some results of the United States/Moldova program on advanced composite organic and semiconductor light emitters. High density exciton system bound to N impurity superlattice grown by modern technologies and GaP:N, GaP:N:Sm nanocrystals distributed in transparent fluorine-containing polymers will be used as the base elements for new generation of optoelectronic devices. The work seeks to expand further the applications of GaP itself through the formation of nanocomposites. Classic and new methods are applied for preparation of GaP:N nanoparticles with the controlled dimensions developed clear quantum confinement effect. The long-term ordered bulk GaP crystals as well as their nanoparticles have been investigated by TEM, XRD, Raman scattering, and luminescent methods. The evolution of the Raman Light Scattering and luminescence spectra is reported from pure and doped GaP single crystals grown over 40 years ago and evaluated approximately every 15 years. For the ...
Energy Technology Data Exchange (ETDEWEB)
We have investigated the nanocrystalline microstructure and the hard magnetic properties of Sm(Co{sub 0.725}Fe{sub 0.1}Cu{sub 0.12}Zr{sub 0.04}B{sub 0.015}){sub 7.4} melt-spun ribbons. The coercivity (H{sub c}) of the as-spun ribbons increased with the wheel surface speed from 2.8kOe for 10m/s to 14.5kOe for 40m/s. The post-annealing of the melt-spun ribbons from 700 to 900 deg. C for 10min did not lead to a substantial increase of H{sub c}. However, after isothermal aging at 820 deg. C and subsequent slow cooling (0.5 deg. C/min) to 120 deg. C, H{sub c} increased from 2.8 to 10.9kOe for 10m/s, while it decreased from 14.5 to 13.5kOe for 40m/s ribbons. The grain size of the melt-spun ribbon reduced with structural transformation from 2:17H (Th{sub 2}Ni{sub 17}-hexagonal type) to 1:7H (TbCu{sub 7}-hexagonal type) as the wheel surface speed was increased. Three-dimensional atom probe analysis showed a boron enriched precipitate at the grain boundaries in the as-spun ...
2005-08-15
International Nuclear Information System (INIS)
We have investigated the nanocrystalline microstructure and the hard magnetic properties of Sm(Co_0_._7_2_5Fe_0_._1Cu_0_._1_2Zr_0_._0_4B_0_._0_1_5)_7_._4 melt-spun ribbons. The coercivity (H_c) of the as-spun ribbons increased with the wheel surface speed from 2.8kOe for 10m/s to 14.5kOe for 40m/s. The post-annealing of the melt-spun ribbons from 700 to 900 deg. C for 10min did not lead to a substantial increase of H_c. However, after isothermal aging at 820 deg. C and subsequent slow cooling (0.5 deg. C/min) to 120 deg. C, H_c increased from 2.8 to 10.9kOe for 10m/s, while it decreased from 14.5 to 13.5kOe for 40m/s ribbons. The grain size of the melt-spun ribbon reduced with structural transformation from 2:17H (Th_2Ni_1_7-hexagonal type) to 1:7H (TbCu_7-hexagonal type) as the wheel surface speed was increased. Three-dimensional atom probe analysis showed a boron enriched precipitate at the grain boundaries in the as-spun ribbons, which acts as the grain growth ...
2005-08-01
The study of the intrinsic behavior of high transition temperature copper-oxide superconductors (HTSC) has proven to be challenging because of the extreme sensitivity of their transport properties on material quality. These compounds are characterized by a high degree of structural and electrical anisotropy, and a very short superconductive coherence length of the same order as the size of the crystalline unit cell (~5-30 A). As a result, microscopic defects such as oxygen vacancies, cationic disorder, and the presence of minute impurities have a significant effect on electrical transport in these materials. Therefore, much effort has been expended in synthesizing sizable samples that are homogeneous, well characterized, and emenable to the study of the anisotropic properties of the HTSC. We have demonstrated that thin films of HTSC compounds such as rm YBa_2Cu_3O_{7 -delta}, which is a 92 K superconductor, can be synthesized easily by a technique known as pulsed laser deposition, and ...
1992-01-01
Energy Technology Data Exchange (ETDEWEB)
Fuel cells based on solid oxides ('SOFC') are excellent alternative devices for power generation, when they are operated at high temperature, e.g. above 600 C. Having only fixed parts for the power generating part of the device is only one advantage of the fuel cell. Due to their unique design, these devices offer a maximum of efficiency for energy conversion compared to conventional power generating systems, which are mainly based on turbines. One aim of this thesis is the examination of alternative electrolyte and cathode materials for the SOFC applications at reduced temperatures, which means in the temperature range between 600 C and 750 C. For the first main task, several materials from the oxygen ion conducting electrolytes were selected. Different strontium and magnesium doped lanthanum gallate (LSGM) materials with additional transition metal doping were selected and prepared via two different preparation methods. The optimum calcining conditions were ...
2007-05-04
Energy Technology Data Exchange (ETDEWEB)
Carbon capture and storage have been receiving increasing interest lately, mainly as an option to reduce CO{sub 2} emissions from the power sector. The concept could be adapted for production of H{sub 2} as well, which would provide a carbon free energy carrier that could be used for example as transportation fuel. In this doctoral thesis, the option to use chemical-looping technologies to produce H{sub 2} from fossil fuels with CO{sub 2} capture is explored. In chemical-looping combustion, direct contact between fuel and combustion air is avoided. Instead, a solid oxygen carrier performs the task of bringing oxygen from the air to the fuel. Thus, the resulting CO{sub 2} and H{sub 2}O are not diluted with N{sub 2}, and pure CO{sub 2} can easily be recovered by cooling and condensation. The heat of reaction is the same as for ordinary combustion. Chemical-looping reforming uses the same basic principles as chemical-looping combustion, but operates at under stoichiometric conditions. ...
2008-04-15
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