International Nuclear Information System (INIS)

Angle resolved valence shell photoelectron spectra of chloromethane and iodomethane have been recorded using synchrotron radiation in the photon energy range 14-120eV. These have allowed photoelectron angular distributions and branching ratios to be determined not only for the main bands associated with the single-hole states but also for the satellite structure due to many-electron effects. The continuum multiple scattering approach has been used to calculate photoelectron asymmetry parameters and branching ratios for the valence orbitals of CH_3Cl and CH_3I, and also for the I 4d subshell. A comparison between the experimental data and the theoretical predictions has enabled the influence of Cooper minima, shape resonances and intershell coupling to be assessed. The asymmetry parameters and branching ratio for the spin-orbit split components of the ...

Energy Technology Data Exchange (ETDEWEB)

The ultraviolet photoelectron spectra of benzoic acid and 20 of its derivatives are presented. The low-energy regions of these spectra are deconvoluted and assigned using chemical substitution effects. 5 figures, 3 tables.

International Nuclear Information System (INIS)

Neutron capture #gamma#-ray spectra have been measured at 11 average neutron energies from 10 to 530 keV in /sup 88/Sr using a 20 x 15 cm NaI detector with time-of-flight discrimination of background events. The partial radiation widths and the calculated partial valence widths are compared for the strong p-wave resonances at 287 and 321 keV and found to be highly correlated. At these energies, the spectra are dominated by strong transitions to low-lying single particle states, in confirmation of the role of valence capture in the 3p region. However, the data do not support this mechanism at <508> keV.

International Nuclear Information System (INIS)

In recent years sufficient new spectra of actinides in their numerous valence states have been measured to encourage a broader scale analysis effort than was attempted in the past. Theoretical modelling in terms of effective operators has also undergone development. Well established electronic structure parameters for the trivalent actinides are being used as a basis for estimating parameters in other valence states and relationships to atomic spectra are being extended. Recent contributions to our understanding of the spectra of 4+ actinides have been particularly revealing and supportive of a developing general effort to progress beyond a preoccupation with modelling structure to consideration of the much broader area of structure-bonding relationships. We summarize here both the developments in modelling electronic structure and the interpretation of apparent trends in bonding. ...

International Nuclear Information System (INIS)

From self-consistent band structure calculations using the 'augmented plane wave'(APW) method, the density of states can be decomposed into local partial (according to azimuthal quantum number l) components, the l-character densities. Within the APW formalism the intensity of X-ray emission spectra is determined by radial transition probabilities and l-character densities of such valence states, which reside inside the same atomic sphere as the core vacancy and whose quantum number l differs by +-1 from the one corresponding to the core state. By taking into account lifetime broadening of the core and valence states and also the instrumental broadening the computed spectra (non-metal K-, vanadium K- and Lsub(III)-spectra) agree well with experiment. (orig.).

Energy Technology Data Exchange (ETDEWEB)

The Si-L X-ray emission spectrum of amorphous hydrogenated silicon (a-Si:H) is presented and discussed. For a qualitative interpretation of the measured spectra cluster calculations of pure Si clusters (SiSi4) and Si clusters with hydrogen (SiSi3H) have been performed using a simplified LCAO-X scheme. In general the level shifts caused by introduction of hydrogen are small compared with the valence band width.

International Nuclear Information System (INIS)

The electronic structure of UPd_3 has been determined by means of XPS and BIS experiments. The core level line shapes and the valence band spectra of occupied and empty states clearly reveal the localized character of the 5f electrons in this actinide compound. From these spectra their Coulomb correlation energy is found to be about 2 eV. (author).

Science.gov (United States)

Neutron resonance interactions with /sup 100/Mo were studied at a time-of-flight facility. The transmission of two oxide samples (97.4% /sup 100/Mo) was measured at a 78.20 m flight path and the neutron capture cross section was measured at 40.12 m. Resonance analyses yielded parameters of 124 resonances. Capture ..gamma..-ray spectra from 11 resolved resonances were measured with a Ge(Li) detector at a 10.45 m flight path. In contrast to neighboring nuclei, partial radiation widths of strong p-wave resonances are not in agreement with valence model predictions.

International Nuclear Information System (INIS)

A survey is given on studies of the phonon spectra of several A-15 compounds by inelastic neutron scattering on polycrystalline samples. Comparison of the results for V_3Si, V_3Ge, N_3Ga, Nb_3Sn and Nb_3Al at 297 K lead to the conclusion that the interatomic forces are to a good approximation the same for all compounds with 4.75 valence electrons but are reduced by about 20% for those with 4.5 valence electrons. For all compounds investigated a softening of the phonon frequencies on cooling is observed which is most pronounced for those materials with the highest T/sub c/ values. From a comparison of the results with the experimentally determined Eliashberg function of Nb_3Sn information is derived about the energy dependence of the electron-phonon coupling function #alpha#"2.

International Nuclear Information System (INIS)

First-principles self-consistent band-structure calculations of potassium titanyl arsenate, KTiOAsO_4 (KTA), have been made using the full potential linearized augmented plane wave (FP-LAPW) method. Total and partial densities of states of the constituent atoms of KTA have been derived. The results obtained show that the valence band of KTA is dominated by contributions of the O 2p-like states, while the Ti 3d-like states are the main contributors into the conduction band of the compound. Additionally, the FP-LAPW calculations have revealed that potassium atoms are highly ionized in KTA. In the present work, the X-ray emission spectroscopy (XES) and X-ray photoelectron spectroscopy (XPS) methods were also employed to investigate experimentally the electronic structure of potassium titanyl arsenate. For the mentioned compound, the XES K Ll, Ti L#alpha#, As K#beta#_2 and O K#alpha# bands reflecting the valence K s-, Ti s,d-, ...

British Library Electronic Table of Contents (United Kingdom)

Multiwall carbon nanotubes (MWCNTs) were functionalized with a photosensitizer, rosebengal (RB), and folicacid (FA), an anti-cancer drug simultaneously and individually, which was characterized with various analytical instruments like Fourier Transform Iinfrared (FTIR) spectroscopy, UV?Vis spectroscopy, Thermogravimetric analysis (TGA), Photoluminescence (PL) spectroscopy, X-ray photoelectron spectroscopy (XPS), and Transmission electron microscopy (TEM). FTIR spectra confirmed the chemical modification of MWCNT. The chemical functionalization of MWCNT with RB was further supported by UV?Vis and PL spectra.

International Nuclear Information System (INIS)

A comparative study by Eu-L_I_I_I X-ray absorption and "1"5"1Eu-Moessbauer spectroscopy is presented for the EuPd_2_-_xAu_x Si_2 series. Possible ways to distinguish between mixed-valent behaviour and final-state effects in the L_I_I_I-edge spectra are discussed.

Energy Technology Data Exchange (ETDEWEB)

Cerium [ital L][sub 3] XANES (x-ray-absorption near-edge-structure) spectra were analyzed to separate Ce moment contributions and mixed valence (MV) in complex magnetic silicides CePd[sub 2[minus][ital x

Energy Technology Data Exchange (ETDEWEB)

Electrostatic fields of the order of 1 V/Angst, as they occur at field emission tips, are comparable to those experienced by valence electrons in atoms and molecules. Such fields are strong enough to induce a significant redistribution of the valence charge in chemical bonds. In this work we investigate the effects on the electronic properties of a single adatom on a metal surface induced by the presence of an electrostatic field. In particular we present the results of a full ab initio DFT calculation, within the embedding method, of the CCV Auger spectra of Si and Mg atoms in and on a jellium-Ag host. Differently from impurities in bulk, Auger spectral profiles of adsorbates on metal surfaces can show notable modifications due to the applied electric field.

Energy Technology Data Exchange (ETDEWEB)

For the first time, rheological phase method, a simple and effective route, is applied to synthesize novel cathode material LiCoPO{sub 4}. X-ray diffraction spectrometer (XRD), X-ray photoelectron spectrometer (XPS), transmission electron microscope (TEM) and electrochemical impedance spectroscopy (EIS) are taken to investigate this material, respectively. XRD figure shows that the rheological sample is better crystallized than the solid-state one. XPS result of the rheological sample exhibits that the valence of Co is 2+. TEM images show that better dispersed particles with smaller size can be formed by rheological method comparing to the solid-state route. Charge-discharge test is carried out in the range of 3.0-5.0 V at 0.2 mA cm{sup -2}. The initial discharge capacity for rheological phase and solid-state powder is 71.5 and 30.9 mAh g{sup -1}, respectively. The better electrochemical property should be ascribed to the better crystallized ...

Science.gov (United States)

Lipase catalyzed esterification of therapeutic drugs to functional self-assembled monolayers (SAMs) on 316L stainless steel (SS) after assembly has been demonstrated. SAMs of 16-mercaptohexadecanoic acid (-COOH SAM) and 11-mercapto-1-undecanol (-OH SAM) were formed on 316L SS, and lipase catalysis was used to attach therapeutic drugs, perphenazine and ibuprofen, respectively, on these SAMs. The reaction was carried out in toluene at 60 degrees C for 5 h using Novozyme-435 as the biocatalyst. The FTIR spectra after surface modification of -OH SAMs showed the presence of the C=O stretching bands at 1745 cm(-1), which was absent in the FTIR spectra of -OH SAMs. Similarly, the FTIR spectra after the reaction of the -COOH SAM with perphenazine showed two peaks in the carbonyl region, a peak at 1764 cm(-1), which is the representative peak for the C=O stretching for esters. The second peak at 1681 cm(-1) is assigned to the C=O ...

International Nuclear Information System (INIS)

Oxide superconducting thin films were irradiated with X-rays and ultra-violet (UV) light, and induced radiation effects on electrical and chemical properties were examined by transport measurement, X-ray diffraction analysis (XRD), diamagnetization measurement and X-ray photoemission spectroscopy (XPS). After irradiation for ErBa_2Cu_3O_x films with X-rays emitted from a Rh tube for 100 hours, superconductivity was remarkably damaged, destroying the zero-resistance state. The UV-light irradiation for Bi_2Sr_2CaCu_2O_x films was performed in He gas of about 500 Pa with a low pressure mercury lamp. The superconductivity was gradually degraded with the UV irradiation time up to 70 minutes. In both cases, adequate oxygen-annealing treatments restored superconductivity. The X-ray photoemission spectra showed that the mean Cu valence of the films was decreased approximately from +2 to +1 by the irradiation. From these results we can find that ...

Science.gov (United States)

Polycrystalline powders of Na{sub 2x}Mn{sub 1-x}PS{sub 3} have been synthesized from layered MnPS{sub 3} material by successive ion-exchange intercalation of potassium and sodium ions. Their x-ray photoelectron spectroscopy (XPS) and x-ray excited Auger spectroscopy spectra have been measured at room temperature using Mg K{alpha} (1253.6 eV) x-ray source. In particular, the Mn, P, and S 2p and Na 1s and 2p core-level regions and the Na Auger KL{sub 23}L{sub 23} transition have been investigated. All the analyzed XPS core-level spectra display a single-peak structure, suggesting the absence of nonequivalent atoms of Na, Mn, P, and S. The manganese XPS spectrum shows, as observed in MnPS{sub 3} and in its cesium and potassium intercalation compounds, typical shake-up satellites, suggesting that the Mn-S bond is yet mainly ionic in nature. The comparison with the XPS spectra relative to MnPS{sub 3} and its ...

CERN Document Server

We present experimental studies on the photoionization and photodissociation processes (photodestruction) of gaseous amino acids and nucleobases in interstellar and interplanetary radiation conditions analogs. The measurements have been undertaken at the Brazilian Synchrotron Light Laboratory (LNLS), employing vacuum ultraviolet (VUV) and soft X-ray photons. The experimental set up basically consists of a time-of-flight mass spectrometer kept under high vacuum conditions. Mass spectra were obtained using photoelectron photoion coincidence technique. We have shown that the amino acids are effectively more destroyed (up to 70-80%) by the stellar radiation than the nucleobases, mainly in the VUV. Since polycyclic aromatic hydrocarbons have the same survival capability and seem to be ubiquitous in the ISM, it is not unreasonable to predict that nucleobases could survive in the interstellar medium and/or in comets, even as a stable cation.

Energy Technology Data Exchange (ETDEWEB)

X-Ray reflectivity has been used to investigate the microstructural changes of solution-cast stearic acid films before and after immersion in CoCl{sub 2} solutions. Before immersion, the films possess a well-defined layered structure with an interlayer spacing of 4.01{+-}0.05 nm. After the films were immersed in the CoCl{sub 2} solutions, a new set of equidistant diffraction peaks emerge, the corresponding interlayer spacing of which is 5.13{+-}0.05 nm. The X-ray photoelectron spectra of the films indicate the existence of cobalt ions inside the films after immersion. It is concluded that the permeation of the cobalt ions into the hydrophilic interlayer causes the stearic acid molecules to reorient perpendicular to the films, resulting in the increase of interlayer spacing and the roughening of the interfaces.

Energy Technology Data Exchange (ETDEWEB)

We have investigated CeTSi{sub 3} and CeTGe{sub 3} (T = Rh and Ir) by measuring the magnetic susceptibility, specific heat, electrical resistivity, the resonant inverse photoemission (RIPES) and M{sub IV,V} x-ray absorption spectra (XAS). The germanides showed a very weak Kondo effect, but the silicides exhibited a negatively large Weiss temperature (approx. = -130 K) and a lnT dependence of magnetic resistivity above 100 K, suggesting that they are a Kondo-lattice compound with a high Kondo temperature T{sub K} (approx. = 100 K). The Curie-Weiss law suggests that Ce atoms in these compounds remain close to 3+ down to about 150 K in spite of their high T{sub K}. In general, both RIPES and M{sub IV,V} XAS support their apparently stable valency. (author)

Energy Technology Data Exchange (ETDEWEB)

Successful interface engineering requires compositional and electronic material characterization as a prerequisite for understanding and intentionally generating interfaces in photovoltaic devices. The paper gives an overview with several examples, all referring to Cu(In,Ga)(S,Se){sub 2} ('CIGSSe')-based solar cells, with an emphasis on characterization using highly specialized methods, such as elastic recoil detection analysis, X-ray emission spectroscopy and photoelectron spectroscopy using synchrotron and ultraviolet light for excitation, inverse photoemission spectroscopy and Kelvin probe force microscopy. First, the determination of the depth profile of the band gap energy E{sub g} in the absorber layer is demonstrated. The modification of E{sub g} towards both interfaces is discussed in terms of beneficial electronic effects. Next, the interface between absorber and buffer layers with alternative and promising non-toxic materials is ...

Energy Technology Data Exchange (ETDEWEB)

The temperature effect on corrosion behaviors of PbCaSnCe alloy in 4.5 M H{sub 2}SO{sub 4} solution was investigated by using potentiodynamic curve, electrochemical impedance spectra (EIS), Mott-Schottky plot and photocurrent response methods. It was found that PbCaSnCe alloy was in passive state in sulfuric acid solution, a passive film can be formed on alloy surface. The compositions of passive films formed at 0.9 V for 2 h under different temperatures were detected by X-ray photoelectron spectroscopy (XPS). The results showed that the film resistance and the transfer resistance decreased with the increment of the solution temperature. Mott-Schottky analysis and the photocurrent response revealed that the passive film exhibited n-type semi-conductive character, the donor density of the passive film decreased with increasing the solution temperature. Photocurrent response revealed that the photocurrent increased with increasing temperature. ...

Energy Technology Data Exchange (ETDEWEB)

Capacitance dispersion on the fractal carbon electrode with edge and basal orientations was investigated using atomic force microscopy (AFM), X-ray photoelectron spectroscopy (XPS), and a.c.-impedance spectroscopy. For this purpose, four types of as-received pyrolytic graphite electrode, as-received, mechanically polished, and as-activated glassy carbon electrodes were prepared with different surface irregularities and amounts of edge orientations. The apparent self-similar fractal dimensions of the carbon electrodes were determined from the analyses of AFM images based upon triangulation method. The amounts of edge orientations on the surface of the carbon electrodes were qualitatively estimated from the XPS analysis of surface acidic functional groups that were preferably formed on the edge planes by the heat treatment of the carbon electrodes. The values of the constant phase element exponent {alpha} determined from the apparent self-similar fractal dimensions ...

British Library Electronic Table of Contents (United Kingdom)

We propose and demonstrate a facile room-temperature synthetic method for obtaining water-soluble magnetic Fe3O4 nanoparticles (NPs) by combining the in situ synthesis and decomposition of a magnetic polymer hydrogel. The Fe3O4 NPs with average diameters of 6.3-8.3nm were synthesized in a cross-linked polyacrylamide (PAAm) hydrogel by coprecipitating iron ions. The decomposition of the magnetic polymer hydrogel by an aqueous solution of sodium hydroxide led to the transfer of Fe3O4 NPs into the aqueous medium. The NPs can be dispersed stably in water for more than three months. The Fe3O4 NPs were characterized by X-ray photoelectron spectra (XPS), X-ray powder diffraction (XRD), transmission electron microscope (TEM), and Fourier transform infrared spectroscopy (FT-IR). The saturation magn...

International Nuclear Information System (INIS)

With "1"5"1Eu-Moessbauer spectroscopy and other methods the complex magnetic properties of Eu_2PdSi_3, arising from the two crystallographically different lattice sites of the Eu"2"+ ions, have been already studied. Here we study the impact of magnetic dilution of the magnetic Eu"2"+ sites by non-magnetic Y"3"+ ions. A previous specific heat study has found reduced magnetic ordering temperatures with strong indication of disorder effects like in magnetic spin glasses. Here we provide from "1"5"1Eu-Moessbauer spectroscopy detailed information of the impact of Y"3"+ substitution on the magnetic properties of the two lattice sites, well distinguishable in the "1"5"1Eu-spectra. Since the substitution of the larger Eu"2"+ ions by the smaller Y"3"+ ions is connected with a lattice contraction, we also applied high pressure to the Eu_2PdSi_3 sample and observed drastic changes in the magnetic properties originating from a valence transition towards ...

Energy Technology Data Exchange (ETDEWEB)

Bremstrahlung Isochromat Spectroscopy (BIS). The XES spectra were collected using a Specs electron gun for the excitation and the XES 350 grating monochromator and channel plate system from Scienta as the photon detection. Spectra were collected in 'normal mode,' where the electron gun kinetic energy (KE) and the energy position of the center of the channel plate were both fixed and the energy distribution in the photon (hv) spectrum was derived from the intensities distributed across the channel plate detector in the energy dispersal direction. The polycrystalline Ce sample was oxidized by exposure to air at ambient pressures. After introduction to the ultra-high vacuum system, the oxidized sample was bombarded with Ar, to clean the topmost surface region and stabilize the surface and near surface regions. Although CeO{sub 2} would be the thermodynamically preferred composition in an oxygen rich environment, the combination ...

Science.gov (United States)

A WO(3)/TiO(2) composite, hollow-sphere photocatalyst with average diameter of 320 nm and shell thickness of 50 nm was successfully prepared using a template method. UV-vis diffuse reflectance spectra illustrated that the main absorption edges of the WO(3)/TiO(2) hollow spheres were red-shifted compared to the TiO(2) hollow spheres, indicating an extension of light absorption into the visible region of the composite photocatalyst. The WO(3) and TiO(2) phases were confirmed by X-ray diffraction analysis. BET isotherms revealed that the specific surface area and average pore diameter of the hollow spheres were 40.95 m(2)/g and 19 nm, respectively. Photocatalytic experiments indicate that 78% MB was degraded by WO(3)/TiO(2) hollow spheres under visible light within 80 min. Under the same conditions, only 24% MB can be photodegraded by TiO(2). The photocatalytic mineralization of MB, catalyzed by TiO(2) and WO(3)/TiO(2), proceeded at a significantly higher rate under ...

International Nuclear Information System (INIS)

In this work, ?-SnS2 thin films have been prepared on glass substrates by the spray pyrolysis technique using an alcohol solution which contains tin chloride (SnCl4) and thiourea (SC(NH2)2) as precursors. The structural study shows that ?-SnS2 thin film prepared using optimal experimental conditions: substrate temperature Ts = 280 deg. C and the concentration ratio of sulfur and tin elements in the spray solution x = [S]/[Sn] = 2.5, crystallizes in the hexagonal phase with a strong (0 0 1) X-ray diffraction line. In the same way, microprobe analyses (EPMA) as well as X-ray photoelectron spectroscopy (XPS) show the presence of undiserable phase of SnO2. From the transmission and reflectance spectra, the band gap energy is 2.65 eV. On the other hand, the photothermal properties of such films have been studied, the thermal conductivity was Kc = 0.85 W m-1 K-1 and the thermal diffusivity was Dc = 14.5 x 10-6 m2 s-1. The analysis of ?-SnS2 thin ...

Energy Technology Data Exchange (ETDEWEB)

Intraionic spin-orbit--split multiplet levels have been observed by electronic Raman scattering in the intermediate-valence compound EuPd/sub 2/Si/sub 2/. From the temperature dependence of the Raman peak positions and widths the interconfigurational excitation energy E/sub x/ and an upper limit of the interconfigurational mixing width T/sub f/, respectively, have been obtained. This is the first spectroscopic support for the underlying assumptions of the ionic interconfigurational fluctuation model that has been proposed to describe intermediate valence.

International Nuclear Information System (INIS)

The concepts of ''fast'' and ''slow'' time scale valence measurements are emphasized by a comparison of L/sub III/ absorption and Mossbauer effect measurements on the temperature induced valence change in EuPd/sub 2/Si/sub 2/. Further the authors show how synchrotron radiation based L/sub III/ measurements of the Ce-valence state can be used to demonstrate electronic structure trends under wide changes in chemical environment. The purpose of this paper is to provide an introduction to researchers in the People's Republic of China to the field of mixed valent rate earth compounds. They hope to illustrate some of the basic concepts in this field, how the field is contributing to the overall insight into the chemical physics of solids and finally how synchrotron radiation measurements in particular are playing a key role in this field.

KoreaScience (Korea)

Full Text Available

Energy Technology Data Exchange (ETDEWEB)

During the present grant period we have continued our study of the photodetachment of atomic negative ions using cross-beam photoelectron detachment spectroscopy. The experimental technique involves the measurement of, under conditions of good energy and angular resolution, kinetic energies, yields and angular distributions of photoelectrons ejected from the interaction region between perpendicularly crossed laser and negative ion beams. 6 figs.

International Nuclear Information System (INIS)

We report on solid solution CePd_2_-_xMn_xSi_2 which shows an interesting transition of the Ce-ion from magnetism in a Kondo regime to an intermediate valence state coupled with a strongly magnetic 3d sublattice. ((orig.)).

International Nuclear Information System (INIS)

Our studies on K#beta#/K#alpha# X-ray intensity ratios of some of the technologically important 3d-transition metal compounds have been reviewed. Comparison of the experimental results with single-configuration Dirac-Fock calculations provided important information on the valence states of the transition metals in various compounds, which can be helpful in understanding the nature of bonding in the compounds. (author)

International Nuclear Information System (INIS)

K?-to-K? X-ray intensity ratios of Ti and Ni have been measured in pure metals and in alloys of TixNi1-x (x=0.7, 0.6, 0.5, 0.4 and 0.3) following excitation by 22.69 keV X-rays from a 10 mCi 109Cd radioactive point source. The valence-electron configurations of these metals were determined by corporation of measured K?-to-K? X-ray intensity ratios with the results of multiconfiguration Dirac-Fock calculation for various valence-electron configurations. Valence-electron configurations of 3d-transition metals in alloys indicate significant differences with respect to the pure metals. Our analysis indicates that these differences arise from delocalization and/or charge transfer phenomena in alloys. Namely, the observed change of the valence-electron configurations of metals in alloys can be explained with the transfer of 3d electrons from one element to the other element and/or the rearrangement of ...

Science.gov (United States)

Photoelectron resonance capture ionization (PERCI) is a soft and sensitive ionization method, based on the attachment of low-energy (<1 eV) photoelectrons to organic analyte molecules. PERCI has been developed in our laboratory for the real-time analysis of organic particles by mass spectrometry, and is employed here to monitor the heterogeneous reaction of ozone with oleic acid. Simplified identification of the reaction products is possible as a result of the soft nature of PERCI, giving predominantly the [M--H](-) ions. The major particle-phase products are identified as: 1-nonanal, nonanoic acid, 9-oxononanoic acid, and azelaic acid, consistent with proposed mechanisms. New insight into this well-studied heterogeneous reaction is gained as additional minor particle-phase products, consistent with the Criegee mechanism, are readily detected. PMID:15468105

International Nuclear Information System (INIS)

The solid solutions Eu(Ir_1_-_xPd_x)_2Si_2, which exist for 0#<=#x#<=#0.125 and 0.75#<=#x#<=#1, cristallize with the tetragonal ThCr_2Si_2-type structure. The variation of the europium valence with composition has been thoroughly studied at temperatures 4.2#<=#T#<=#293 K by "1"5"1Eu Moessbauer resonance. For 0#<=#x#<=#0.125 the europium valence at room temperature decreases as x increases. For 0.75#<=#x#<=#1 the valence transition temperature Eu"3"+#->#Eu"2"+ increases as x increases. (orig.).

International Nuclear Information System (INIS)

Bi-U mixed oxides were synthesized by two methods and characterized by X-ray diffraction and X-ray photoelectron spectroscopy. The samples were tested for the catalytic oxidation of carbon monoxide by oxygen. A stepwise redox mechanism consistent with the kinetic results is proposed. (orig.).

Energy Technology Data Exchange (ETDEWEB)

The difficulty in making good Ohmic contact at the interfaces with p-doped ZnSe is an important problem hindering the realization of blue-light-emitting diode lasers based on the II-VI semiconductor technology. So far no metal or semiconductor material has been found to have a low enough barrier at the (001) interface with ZnSe. A possible solution to this problem is the insertion of a so-called {ital barrier-reduction layer} at the interface with ZnSe. We have investigated the interface formation energies and valence-band offsets at the (001) interface between Al{sub x}Ga{sub 0.5{minus}x}In{sub 0.5}P and ZnSe. The results of our calculations show the existence of a strong interdependence between the valence-band offset and the interface geometric structure. The interface is found to have structural and electronic similarities to the GaAs-ZnSe(001) system. The very low values obtained for the valence-band offset confirm the ...

International Nuclear Information System (INIS)

A new analysis is developed for long secondary photocurrent transients which gives the distribution of trapped holes in valence band tail states. Thermally assisted tunneling to dangling bonds is implicated as the rate limiting step in hole-recombination. Light-soaking causes the energetically deeper hole traps with the longer residence times to be lost first and in the same number as would be expected for the increase in dangling bonds; This result supports a model which has hole trapping in valence tail states as a precursor to light induced dangling bonds.

Energy Technology Data Exchange (ETDEWEB)

The experimental results of the components substitution effect on crystal structure, electronic transport properties, and Eu effective valence in solid solutions based on EuCu{sub 2}Si{sub 2} and EuPd{sub 2}Si{sub 2} ternary compounds are presented. It is shown, that when the Eu effective valence reaches the critical value {nu}{sup cr}{sub eff}=2.1, corresponding to degeneration of the 4f{sup 7} and 4f{sup 6} configurations, the condition of the concentrated Kondo system and an essential perturbation of the band electron spectrum near the Fermi level occur. (orig.).

Science.gov (United States)

Not Available

Science.gov (United States)

The gamma spectra and lifetimes of the Ta and W isotopes havimg mass numbers 173, 175, 177, and 179 are determined. (T.F.H.)

Energy Technology Data Exchange (ETDEWEB)

We report the results of ab initio calculations of cross sections and molecular-frame photoelectron angular distributions for C 1s ionization of CO2, and propose a mechanism for the recently observed asymmetry of those angular distributions with respect to the CO^+and O^+ions produced by subsequent Auger decay. The fixed-nuclei, photoionization amplitudes were constructed using variationally obtained electron-molecular ion scattering wave functions. We have also carried out electronic structure calculations which identify a dissociative state of the CO2^++ dication that is likely populated following Auger decay and which leads to O^+ + CO^+ fragment ions. We show that a proper accounting of vibrational motion in the computation of the photoelectron angular distributions, along with reasonable assumptions about the nuclear dissociation dynamics, gives results in good agreement with recent experimental observations. We also demonstrate that ...

British Library Electronic Table of Contents (United Kingdom)

High molecular weight products of the ozonolysis reaction of particle-phase 9-octadecenoic acid (oleic acid) have been studied by photoelectron resonance capture ionization (PERCI) mass spectrometry (MS). Oleic acid particles ( Formula Not Shown , Formula Not Shown ) were reacted with ozone (1.8x10-4atm) in a flow reactor at reaction times of 8 and 23s. Particles were sampled on-line with a differentially pumped particle inlet and chemically analyzed by PERCI-MS. PERCI is a soft ionization method that permits the direct measurement of relatively high molecular weight compounds, facilitating molecular identification. In addition to cyclic oxygenates, such as secondary ozonides and geminal diperoxides that were reported previously, we demonstrate the formation of polymers at the particle sur...

International Nuclear Information System (INIS)

Composite nitrides (such as BN, TiN) are widely used in various industrial applications because of their extreme wear and corrosion resistance, thermal and electrical properties. in order to obtain composite materials with these optimal properties, it is important to elucidate whether any chemical reactions occur at nitride/metal interfaces, e.g., those involving BN-Ti/TiN. Materials of interest include the deposition by PVD of Ti and TiN on BN substrates. Some of these systems were then subjected to varying degrees of physical and thermal alteration. Detailed X-ray photoelectron spectroscopy (XPS) has therefore been rendered of these interfaces using cross-sectional display and sputter etching. Resulting structural and morphological features have been investigated with transmission electron microscopy (TEM) and X-ray diffraction (XRD). Diffusion of the nitridation, oxynitride formation and interfacial growth are of general interest.

International Nuclear Information System (INIS)

The first-order relativistic correction to the kinetic energy of an electron, the mass-velocity term, is not bounded from below. It can, therefore, not be used within a variational framework. To overcome this deficiency we developed a method to include the entire relativistic kinetic energy #sq root#(p"2c"2+m_0"2c"4)-m_0c"2 in a spline-augmented plane-wave band calculation. The first results for silver are quite promising, especially for d and p states: The analysis of the energies of the core states as well as of the valence band structure suggests that the energies of d bands are reproduced within 1 mRy. However, the combination of the relativistic kinetic energy with the Darwin term leads to energies which are too low for s-like valence states by 10 mRy. Therefore, the s and d valence band complex is spread out and the Fermi level is lowered by the same amount as the s states. We expect to overcome these deficiencies in ...

International Nuclear Information System (INIS)

... 3 reactions mev range 10-100 neutron spectra neutrons nuclear reaction

Science.gov (United States)

... significantly lower limits of detection. The complex fluorescence spectra of these constructs indicated that only a portion ...

International Nuclear Information System (INIS)

The intermediate valent behaviour of YbPd_2Si_2 has been studied under pressure in the temperature range from 1.2 K to 90 K by using the 84 keV Moessbauer transition in "1"7"0Yb. At 54 kbar and 4.2 K we obtain an increase of the electric field gradient (EFG) by a factor of #approx =# 3. In addition, the EFG varies strongly with temperature, in contrast to the behaviour at ambient pressure. At 1.2 K a change of the hyperfine pattern is observed indicating a magnetic character of the Yb ion. These results provide evidence of a pressure induced change of the valence state close to 3+. (orig.).

Energy Technology Data Exchange (ETDEWEB)

A synergistic effect exists when benzotriazole (BTAH) and iodide ions are used together to prevent the corrosion of copper in sulfuric acid. The nature of this effect has been studied systematically by using electrochemical techniques and X-ray photoelectron spectroscopy. The synergistic effect is due largely to the formation of a film of Cu(IBTA) complex and is probably polymeric in nature. This new complex film greatly depresses copper dissolution.

International Nuclear Information System (INIS)

Quark models of production of cumulative particles and the EMC effect are analyzed. It is shown that all these models are characterized by a universal relation between the spectrum of cumulative nucleons and the cross section for cumulative particles containing valence quarks of the nucleus. This relation is tested for the deuteron, and the role of secondary nuclear processes for heavy nuclei is discussed. It is noted that the ''sea'' cumulative particles (K"-, p-bar) are particularly important for understanding the nature of the difference between the structure functions of a nucleus and of a free nucleon.

Energy Technology Data Exchange (ETDEWEB)

Measurements of the double-electron-capture process in which a positive ion of iodine becomes a negative ion in a single collision with a magnesium atom are reported between 20 and 90 keV. The cross section is comparable to that for the rare gases and not as large as might be expected from a two-valence-electron atom. This process is probably insignificant in the production of negative ion beams using a magnesium-vapor target.

Energy Technology Data Exchange (ETDEWEB)

Chemical influences on the relative Ksub(..beta..)/Ksub(..cap alpha..) x-ray intensity ratio up to five per cent were found for different chemical constitutions of Cr, Mn, Fe and Cu by very precise PIXE measurements. In the discussion of these effects, screening of 3p electrons by a varying 3d valence charge, as well as polarizational effects are of importance.

Energy Technology Data Exchange (ETDEWEB)

We present a calculation of the charmonium spectrum with three flavors of dynamical staggered quarks from gauge configurations that were generated by the MILC collaboration. We use the Fermilab action for the valence charm quarks. Our calculation of the spin-averaged 1P-1S and 2S-1S splittings yields a determination of the strong coupling, with {alpha}{sub {ovr MS}}(M{sub Z}) = 0.119(4).

International Nuclear Information System (INIS)

3d occupation numbers of the transition elements corresponding to various types of atomic configurations are calculated by means of the linear muffin-tin orbital (LMTO) method. This data is used with the multiconfiguration Dirac-Fock (MCDF) X-ray intensity ratios to estimate the electron populations of the 3d metals in alloys.

Energy Technology Data Exchange (ETDEWEB)

Laser desorption (LD) and thermal desorption (TD) mass spectra of the metallofullerenes found in arc-produced primary soots have been studied for a large variety of alkaline earth and lanthanide elements. The metallofullerene ratios found in the LD spectra indicate that two distinct groups are observed: Sc, Y, La, Ce, Pr, Nd, Gd, Tb, Ho, Er, and Lu (group A) and Ca, Sr, Sm, Eu, and Yb (group B). The TD spectra of most of these same soots also separate into two groups that contain the same elements as groups A and B. Group A metallofullerenes show strong signals in both LD and TD spectra. Group B metallofullerenes are distinguished by their presence in the LD spectra but absence in the TD spectra. From the general ionic behavior of the elements of these groups, and recent studies of the endohedral oxidation states, we propose that the oxidation states are +3 for ...

International Nuclear Information System (INIS)

Optical absorptance spectra of A-15 compounds were taken using a calorimetric technique in the range 0.2 eV to 4.0 eV. Thermomodulation spectra were taken on several A-15 sputtered films.

International Nuclear Information System (INIS)

Short Communication.

International Nuclear Information System (INIS)

... electrophoresis fission products gamma radiation gamma spectra half-life

International Nuclear Information System (INIS)

... activation analysis gamma spectra mev range molybdenum molybdenum ores

International Nuclear Information System (INIS)

Secondary-electron emission (SEE) spectra have been obtained with the Scanning Probe Energy Loss Spectrometer at a tip-sample distance of only 50 nm. Such short working distances are required for the best theoretical spatial resolution (<10 nm). The SEE spectra of graphite, obtained as a function of tip bias voltage, are shown to correspond to unoccupied states in the electronic band structure. The SEE spectra of thin gold films demonstrate the capability of identifying (carbonaceous) surface contamination with this technique.

International Nuclear Information System (INIS)

... energy spectra inelastic scattering ion-molecule collisions mass spectrometers

International Nuclear Information System (INIS)

... charges energy levels gamma spectra half-life isomeric nuclei kev range

Energy Technology Data Exchange (ETDEWEB)

A technique for measurement of the energy spectra of fission fragments is discussed. The fine structure found in the spectra of fragments from spontaneous fission of {sup 242}Cm and fast-neutron fission of {sup 242{ital m}}Am is analyzed. The quantitative parameters of the structure and their analogy with the characteristics of cold fission are discussed.

Energy Technology Data Exchange (ETDEWEB)

Prompt neutron spectra for Am isotopes ({sup 241}Am, {sup 242m}Am, {sup 243}Am) were calculated on the basis of a modified version of the Madland-Nix model combined with multimodal fission model. The predicted spectra were found to be in fair agreement with recent data. (author)

International Nuclear Information System (INIS)

We have observed EUV spectra from the Large Helical Device (LHD) at the National Institute for Fusion Science (NIFS). We measured spectra of impurity ions; carbon, iron, xenon, tin and tungsten ions. In some cases, the plasma evolution was stable and a steady discharge was obtained, but sometimes the plasma underwent radiation collapse and rapid cooling. For carbon and iron spectra, we studied plasma diagnostics by intensity ratios of spectral lines. For other spectra of higher Z element, xenon, tin and tungsten, we studied mainly on line identifications comparing with theoretical calculations and experimental data. Related atomic data for these researches will be also discussed. (author)

Energy Technology Data Exchange (ETDEWEB)

Research highlights: {yields} The polarization curve of 316L SS possesses five turning potentials in passive region. {yields} Films formed at turning potentials perform different electrochemical and semiconductor properties. {yields} Dissolutions and regenerations of passive film at turning potentials are obtained by AAS and XPS. {yields} Turning potentials appearing in passive region are ascribed to the changes of the compositions of the passive films. - Abstract: The passivity of 316L stainless steel in borate buffer solution has been investigated by Mott-Schottky, atomic absorption spectrometry (AAS) and X-ray photoelectron spectroscopy (XPS). The results indicate that the polarization curve in the passive region possesses several turning potentials (0 V{sub SCE}, 0.2 V{sub SCE}, 0.4 V{sub SCE}, 0.6 V{sub SCE} and 0.85 V{sub SCE}). The passive films formed at turning potentials perform different electrochemical and semiconductor properties. Further, the ...

International Nuclear Information System (INIS)

The details and principles of an apparatus built for measurements of fluorescence quantum yields and cascade-free lifetimes of open-shell cations are reported. These rely on the detection of coincidences between energy selected photo-electrons and undispersed photons. The results of such measurements for CO"+_2,COS"+,CS"+_2 and N_2O"+ in selected vibrational levels of their excited states are presented. Non-unity fluorescence quantum yields are found for some vibronic levels of CO"+_2(B), COS"+(A), N_2O"+(A) and a non-exponential decay is observed for CS"+_2(B). The data yield the following values for the radiative lifetimes: CO"+_2(A) 124 +- 6 ns,CO"+_2(B) 140 +- 7 ns, COS"+(A) 550 +- 50 ns and N_2O"+(A) 240 +- 12 ns. (orig.).

Energy Technology Data Exchange (ETDEWEB)

Until April 2007 the Major Atmospheric Gamma ray Imaging Cherenkov (MAGIC) telescope used a 300 MSamples/s flash analog-to-digital converter (FADC) system to sample the shaped photomultiplier tube (PMT) signals produced by the captured Cherenkov photons of air showers. Different algorithms to reconstruct the signal from the read-out samples (extractors) have been implemented and are described and compared. Criteria based on the obtained charge and time resolution/bias are defined and used to judge the different extractors, by applying them to calibration, cosmic and pedestal signals. The achievable charge and time resolution have been derived as functions of the number of incident photo-electrons.

International Nuclear Information System (INIS)

The method of augmented plane wave (APW) is used to obtain the band structure of the SmS compound in the semiconductor and metal phases. The noncentral part of the Coulomb electron-electron interaction is taken into account in the first order perturbation theory. In this case the radial part of the wave APW-function is taken as a zero approximation function. A multiplet structure of the excited configuration f"5d, which provides a good description of the X-ray photoelectron spectrum and optical spectrum epsilon_2(#omega#), is obtained. The configuration fd is calculated for the interpretation of the optical absorption spectrum of the samarium monosulfide metal phase. (author).

Science.gov (United States)

Charge flow and valence/d-band behavior in ion-beam-mixed (IBM) Pd1-xAgx (x = 0.5-0.9) alloys have been studied by X-ray photoemission measurement of the valence bands and of core-level binding energy shifts and X-ray absorption near-edge structure. We correlated the observed Ag 3d5/2 core-level shifts in these IBM alloys, relative to the elemental Ag, with the White Line area changes at the Pd and Ag L3-edge to investigate the charge redistribution at the Ag site. The results indicate that there is a decrease in sp-like conduction electron and a negligible change in the number of d-electrons at the Ag site upon alloying. These results are in line with our previous results in which Pd gains d-charges and loses sp-type charges. This electron redistribution due to hybridization in the alloy leads small net charge transfer from the Ag site to the Pd site in accordance with electronegativity predictions. This result is consistent with the result of ...

Energy Technology Data Exchange (ETDEWEB)

Quark models of production of cumulative particles and the EMC effect are analyzed. It is shown that all these models are characterized by a universal relation between the spectrum of cumulative nucleons and the cross section for cumulative particles containing valence quarks of the nucleus. This relation is tested for the deuteron, and the role of secondary nuclear processes for heavy nuclei is discussed. It is noted that the ''sea'' cumulative particles (K/sup -/, p-bar) are particularly important for understanding the nature of the difference between the structure functions of a nucleus and of a free nucleon.

Energy Technology Data Exchange (ETDEWEB)

Polarized antiprotons produced by spin filtering with an internal polarized gas target provide access to a wealth of single- and double-spin observables, thereby opening a window to physics uniquely accessible with the HESR at FAIR. This includes a first measurement of the transversity distribution of the valence quarks in the proton, and a first measurement of the moduli and the relative phase of the time-like electric and magnetic form factors G{sub E,M} of the proton. In polarized and unpolarized pp-bar elastic scattering open questions like the contribution from the odd charge-symmetry Landshoff-mechanism at large |t| and spin-effects in the extraction of the forward scattering amplitude at low |t| can be addressed.

Energy Technology Data Exchange (ETDEWEB)

Self-consistent electronic structure calculations have been performed on two compositions of scandium sulfide ScS and Sc/sub 3/S/sub 4/. The results of the calculation of ScS are similar to those obtained for other transition metal chalcogenides and are in excellent agreement with heat capacity and reflectance measurements as well as UPS experiments. The calculation of the defect structure indicates the creation of sulfur p nonbonding states in metal-deficient ScS. The valency of the metal ions remains unchanged upon the creation of vacancies.

Science.gov (United States)

We calculate the electromagnetic form factors of a bound proton. The chiral quark-soliton model provides the quark and antiquark substructure of the proton, which is embedded in nuclear matter. This procedure yields significant modifications of the form factors in the nuclear environment. The sea quarks are almost completely unaffected, and serve to mitigate the valence quark effect. In particular, the ratio of the isoscalar electric to the isovector magnetic form factor decreases by 20% at Q{sup 2}=1 GeV{sup 2} at nuclear density, and we do not see a strong enhancement of the magnetic moment.

International Nuclear Information System (INIS)

Chemical effects of L X-ray intensity ratios in niobium and molybdenum compounds were studied by electron and proton bombardments. L_#gamma#_1 X-rays which involve transition of 4d electrons of the valence shell were found to be sensitive to the chemical environment. The L_#gamma#_1/L_#beta#_1 X-ray intensity ratio increased with an increase of the 4d electron occupation of niobium or molybdenum in niobium or molybdenum compounds, showing that the chemical effects can be ascribed to the 4d electron behavior of the metallic atom in its compounds. (orig.).

Energy Technology Data Exchange (ETDEWEB)

K{beta}-to-K{alpha} X-ray intensity ratios of Ti, Cr, Fe and Co in pure metals and in Cr{sub 0.26}Fe{sub 0.74}, Cr{sub 0.80}Co{sub 0.20} and Ti{sub 0.80}Cr{sub 0.20} alloys have been measured following excitation by 59.54 keV {gamma}-rays from a 7400 MBq (200 mCi) {sup 241}Am point-source. The valence electronic structure of Ti, Cr, Fe and Co in the samples have been evaluated by the comparison of the measured K{beta}-to-K{alpha} intensity ratios with the results of multiconfiguration Dirac-Fock calculations performed for various electronic configurations of these metals. The 3d-electron populations obtained for pure metallic Ti, Cr, Fe and Co agree well with the results of band structure calculations of Papaconstantopoulos (Handbook of band structure of elemental solids, Plenum Press, New York, 1986). Our analysis indicates significant increase of 3d-electron population of Ti, Cr and Fe in the alloys with respect to the pure metals, except for Cr in Cr{sub ...

International Nuclear Information System (INIS)

K#beta#-to-K#alpha# x-ray intensity ratios of Fe and Ni in pure metals and in Fe_xNi_1_-_x alloys (x=0.20, 0.50, 0.58) exhibiting similar crystalline structure have been measured following excitation by 59.54 keV #gamma# rays from a 200 mCi "2"4"1Am point source to understand why the properties of the Fe_xNi_1_-_x (x=0.2) alloy are distinct from other alloy compositions. The valence electronic structure of Fe and Ni in the samples has been evaluated by comparing the measured K#beta#-to-K#alpha# intensity ratios with the results of multiconfiguration Dirac-Fock calculations. Significant changes in the 3d electron population (with respect to the pure metal) are observed for Fe and Ni for certain alloy compositions. These changes can be explained by assuming rearrangement of electrons between 3d and (4s,4p) band states of the individual metal atoms. It has been found that the valence electronic structure of the Fe_0_._2Ni_0_._8 alloy is totally ...

Energy Technology Data Exchange (ETDEWEB)

An overview of the understanding of correlation between valence electron and the optical properties of binary (A{sup N}B{sup 8-N}) and ternary (A{sup N}B{sup 2+N}C{sub 2}{sup 7-N}) tetrahedral semiconductors is presented here. We have presented two expressions relating the dielectric constant and electronic polarizability for the transition metal chalcogenides and pnictides (A{sup II}B{sup VI} and A{sup III}B{sup V}) and chalcopyrites (A{sup I}B{sup III}C{sub 2}{sup VI} and A{sup II}B{sup IV}C{sub 2}{sup V}) with the product of valence electrons and nearest neighbour distance d (A). The dielectric constant and electronic polarizability of these solids exhibit a linear relationship when plotted on a log-log scale against the nearest neighbour distance d (A), but fall on different straight lines according to the valence electron product of the compounds. We have applied the proposed relation on these solids and found a better ...

Energy Technology Data Exchange (ETDEWEB)

The X-ray photoacoustic spectra of copper and brass (64.7 wt.% Cu and 35.3 wt.% Zn) have been measured at XANES (X-ray absorption near-edge structure) regions using synchrotron radiation. These spectra were compared with optical density of X-ray spectra. It is shown that the information derived from XANES is also included in the X-ray photoacoustic spectrum which reflects the heat production processes in copper and brass. However, the results showed that the increases and changes of the photoacoustic signal were different from those of the X-ray absorption coefficient at XANES regions. (author).

International Nuclear Information System (INIS)

Inelastically scattered neutron spectra and angular distributions measured for a number of nuclei at the 9.1 and 14.4 MeV incident neutron energies are fitted well as a sum of neutron evaporation spectrum and the direct interaction part. For the last one the practical scheme of parametrization based on direct interaction theory is presented. The relative contribution of direct interactions in double differential cross sections and parameters of neutron evaporation spectra have been evaluated. All results have a simple physical interpretation and may be useful at interpolating of data in a wide energy interval.

International Nuclear Information System (INIS)

... energy levels excited states gamma spectra internal conversion li-drifted ge

British Library Electronic Table of Contents (United Kingdom)

Abstract We present a study of the impact of different model groups in the detection of circumstellar debris discs. Almost all previous studies in this field have used kurucz (atlas9) model spectra to predict the stellar contribution to the flux at the wavelength of observation, thus determining the existence of a disc excess. Only recently have other model groups or families like marcs and nextgen (phoenix) become available to the same extent as atlas9. This study aims to determine whether the predicted stellar flux of a disc target can change with the choice of model family can a disc excess be present in the use of one model family whilst being absent from another. A simple comparison of kurucz model spectra with marcs and nextgen model spectra of identical stellar parameters was conduc...

Energy Technology Data Exchange (ETDEWEB)

Strong-interaction effects have been observed in the x-ray spectra of atoms formed with [Sigma][sup [minus

International Nuclear Information System (INIS)

Russian 1984. p. 353. USSR Smirnov, AV Antropov, AE Zarubin, PP

UK PubMed Central (United Kingdom)

High resolution of NMR spectroscopic data of biosamples are a rich source of information on the metabolic response to physiological variation or pathological events. There are many advantages...Full Text Available

International Nuclear Information System (INIS)

(Dec 1973). United States Chevarier, A. Chevarier, N. Demeyer, A.

International Nuclear Information System (INIS)

(1 Oct 1979). German Democratic Republic Alekseeva, OK Onishchuk, VA

Science.gov (United States)

By W. Wayne Scott. Langley Research Center. SUMMARY. Thin- and thick-target bremsstrahlung spectra are presented for electron energies up to 7.0 MeV. ...

Energy Technology Data Exchange (ETDEWEB)

Of some interest is the comparison between the actinide nuclide burning up (fission) rates such as americium 241, americium 242, curium 244, and neptunium 237, in the reactors with fast or thermal neutron spectra.

Energy Technology Data Exchange (ETDEWEB)

The present paper is a comparative study of the cerium-containing nickel catalysts supported on x- and y-zeolites. In general, the addition of cerium ions caused an increase in the catalytic activity for CO hydrogenation and shifted the product selectivity to high molecular weight hydrocarbons. The degree of the effect of cerium additive depends on the ratio of cerium to nickel contents, the reduction temperature, and the nature of the supporting materials. Catalyst characterization, including volumetric hydrogen chemisorption, temperature programmed reduction/desorption, x-ray diffraction, surface area measurements, in-situ infrared spectroscopy and x-ray photoelectron spectroscopy, was performed in order to interpret the phenomena due to the effects of cerium additives and the support effect on Ni/zeolite catalysts.

Science.gov (United States)

The growth of an oxide interfacial layer was recently found to increase the open-circuit voltage (OCV) and efficiency by up to 60 per cent in GaAs metal-semiconductor solar cells. Details of oxidation techniques to provide the necessary oxide thickness and chemical structure and using ozone, water-vapor-saturated oxygen, or oxygen gas discharges are described, as well as apparent crystallographic orientation effects. Preliminary results of the oxide chemistry obtained from X-ray, photoelectron spectroscopy are given. Ratios of arsenic oxide to gallium oxide of unity or less seem to be preferable. Samples with the highest OVC predominantly have As(+3) in the arsenic oxide rather than As(+5). A major difficulty at this time is a reduction in OCV by 100-200 mV when the antireflection coating is vacuum deposited.

International Nuclear Information System (INIS)

Energy-filtered X-ray photoemission electron microscopy (EXPEEM) is a microscopy technique which has the potential to provide surface chemical mapping during surface chemical processes on the nanometer scale. We studied the possibilities of EXPEEM using a Wien filter type energy analyzer in the high energy X-ray region above 1000 eV. We have successfully observed the EXPEEM images of Au islands on a Ta sheet using Au 3d_5_/_2 and Ta 3d_5_/_2 photoelectron peaks which were excited by 2380 eV X-rays emitted from an undulator (BL2A) at Photon Factory. Our recent efforts to improve the sensitivity of the Wien filter energy analyzer will also be discussed.

International Nuclear Information System (INIS)

A kind of polymer-metal complex gel electrolyte is successfully prepared and is used in dye-sensitized solar cells. Raman and X-ray photoelectron spectroscopy confirm the structure of this complex and is found that the metal ion reacts with nitrogen in the polymer. This novel electrolyte shows apparent diffusion coefficient of iodide of 8.37 x 10-7 cm2 s-1 and the energy conversion efficiency of 6.10% when the amount of ZnI2 is 0.04 M. By studying the dissociation active energy of the inorganic salt in electrolytes, we find that the metal salts can dissociate more easily after reacting with polymer and as a result can provide extra free iodide ion. The cell maintains ca. 93% of its initial efficiency after 20 d without further sealing, which shows good long-time stability.

International Nuclear Information System (INIS)

Transmission electron microscopy studies on solution-annealed Alloy 800 revealed small (100-200 nm), spherical-shaped titanium carbide (face centered cubic structure) and large (200 nm-5 #mu#m), faceted titanium nitride (hexagonal structure) particles randomly distributed in the austenite matrix. The volume fraction of former particles was found to be greater than that of the latter. Corrosion studies of the alloy in acidic, chlorides and acidic chloride environments at room temperature indicated that the passivity of Alloy 800 was adversely affected by the addition Cl"- ions. X-ray photoelectron spectroscopy revealed that the surface film formed on the alloy at the onset of passivity consisted of Cr"3"+ (as Cr_2O_3), without any Fe"3"+/Fe"2"+ or Ni"2"+. Scanning electron microscopy studies indicated initiation of pitting at large, faceted particles, not at small, spherical-shaped ones.

International Nuclear Information System (INIS)

Fe-Cr amorphous films have been formed by both in situ evaporation of multilayered films and ion beam mixing in a target chamber of a 200 keV implanter. The effects of Cr content and ion irradiation on the amorphization of films were examined by transmission electron microscope (TEM). Corrosion of film was investigated by means of a potential dynamic polarization. Corrosion resistance of amorphous film in 0.5 mol H-2SO-4 solution is considerably increased than that of pure iron. Using X ray photoelectron spectroscopy (XPS) corrosion resistance in atmosphere of amorphous Fe-Cr passive films formed by P"+ mixing was studied. Results show that the richness of Cr and P exist at the surface of Fe-Cr film.

International Nuclear Information System (INIS)

Titanium and its alloy Ti6Al4V enjoy widespread use in various biomedical applications because of favourable local tissue response, higher corrosion resistance and fatigue strength than the stainless steels and cobalt-chromium alloy previously used. The study reported in this paper aims to optimize the conditions of nitrogen ion implantation on commercially pure titanium and to correlate the implantation parameters to the corrosion resistance. X-ray photoelectron spectroscopy was used to analyse surface concentration and the implantation processes. An improvement in the electrochemical behaviour of the passive film was shown to occur with nitrogen ion implantation on titanium, in simulated body fluids. (UK).

Energy Technology Data Exchange (ETDEWEB)

Passive films formed on Alloy 690 in high-temperature alkaline environments were investigated by potentiodynamic polarization, X-ray photoelectron spectroscopy, transmission electron microscopy and Mott-Schottky approach. Passive current density and donor density of the passive films increase with increasing temperature, due to increased diffusion rates of metallic ions and dehydration of hydroxide phases. The passive films show a duplex structure including an inner layer of fine-grained Cr oxide or spinel oxide and an outer layer of Ni-Fe spinel oxide and Ni hydroxide. A growth model of the passive films on Alloy 690 in high-temperature alkaline environments is proposed and discussed.

British Library Electronic Table of Contents (United Kingdom)

Polyacrylonitrile (PAN)-based carbon fabric (CF) was modified with strong HNO3 oxidation and then introduced into polyimide (PI) composites. The friction and wear properties of the carbon fabric reinforced polyimide composites (CFRP), sliding against GCr15 stainless steel rings, were investigated on an M-2000 model ring-on-block test rig under dry sliding. Experimental results revealed that the carbon fiber surface treatment largely reduced the friction and wear of the CFRP. Compared with the untreated ones, the surface-modified CF can enhance the tribological properties of CFRP efficiently due to the improved adhesion between the CF and the PI matrix. Scanning electron microscope (SEM) and X-ray photoelectron spectroscopy (XPS) study of the carbon fiber surface showed that the fiber surfa...

British Library Electronic Table of Contents (United Kingdom)

Flue gas desulfurization systems (FGDs) are operated in severely corrosive environments that cause sulfuric acid dew-point corrosion. The corrosion behavior of low-alloy steels was tested using electrochemical techniques (electrochemical impedance spectroscopy, potentiodynamic tests, potentiostatic tests), and the corrosion products were analyzed by scanning electron microscopy and X-ray photoelectron spectroscopy. The electrochemical results showed that alloying W with small amounts of Sb, Cu, and Co improves the corrosion resistance of steels. The results of surface analyses showed that the surface of the steels alloyed with W consisted of W oxides and higher amounts of Sb and Cu oxides. This suggests that the addition of W promotes the formation of a protective WO3 film, in addition to ...

International Nuclear Information System (INIS)

The effect of Mo addition as an alloying element to stainless steel alloys is investigated by capacitance (Mott Schottky approach), and photoelectrochemistry measurements. Complementary studies were made using Auger electron spectroscopy and X-ray photoelectron spectroscopy. The Mott-Schottky approach and the photoelectrochemical studies showed that the presence of Mo as an alloying element affects the semiconductive properties of the oxide films. The analytical results have shown that the oxide films formed on stainless steels are composed by an external Fe rich region and an inner Cr rich region. No significant amount of Mo was found in the outer layers of the film. The presence of Mo leads to an increase of the chromium content in the inner layers of the film, although without increasing the film thickness. (orig.)

International Nuclear Information System (INIS)

Molecular cluster predictions for electronic energy levels, wave functions, momentum densities, and Compton profiles of VO and VO_2 are examined within the Hartree-Fock-Slater model. VO_6 clusters are treated in O/subh/, D_4/subh/, and D_2/subh/ symmetry to obtain quantitative relations between distortion parameters and level shifts and splittings. Effects of the crystal environment are taken into account by a potential field. Results for VO are consistent with the augmented plane-wave band calculation of Mattheiss and x-ray emission data; the VO_2 levels are in good agreement with x-ray photoelectron spectroscopy data. A sizable anisotropy is predicted for the Compton profile of VO and VO_2.

British Library Electronic Table of Contents (United Kingdom)

The atmospheric processing by ozone of peptide-containing mixed particles was investigated as proxies for biogenic and sea spray primary organic aerosol. Reactions were performed in a flow reactor and particle composition was monitored by photoelectron resonance capture ionization aerosol mass spectrometry. Mixed particles containing dipeptides in a saturated organic matrix of stearic and palmitic acids showed no reaction under ozonolysis at exposure levels of 2.5???10?4?atm s O3. However reactions of mixed particles of a dipeptide (Leu-Leu) in an unsaturated matrix (oleic acid) under the same conditions resulted in a rapid loss of the peptide ion signal, as well as the carrier matrix, and appearance of a number of ion signals corresponding to secondary products. High molecular weight imid...

British Library Electronic Table of Contents (United Kingdom)

SBA-15 supported nano-scaled copper oxide was synthesized by impregnation method via ultrasonic-assisted route. The removal test from gas mixture containing 0.1?vol.% hydrogen sulfide was carried out over this material at atmospheric conditions. The effects of the chemical nature of copper oxide and the textural properties of the material on removal capacity were studied. The materials before and after the removal test were analyzed by nitrogen adsorption, X-ray diffraction, Transmission Electron Microscope, X-ray photoelectron Spectroscopy, Fourier Transform Infrared Spectrometer and Inductive Coupled Plasma. The results showed that copper species are located predominantly in mesopore channels, existing as copper oxide nanoparticles. Mesopores are active sites for removal reaction. The ou...

British Library Electronic Table of Contents (United Kingdom)

In this paper, it is shown that (In1?xAlx)2S3 thin films can be grown through the co-evaporation of elemental indium, aluminum and sulfur. It is nevertheless observed that the introduction of aluminum within the indium sulfide thin films hinders the crystallites size and even yields almost amorphous films when x is 0.2. The investigations of the optical properties of the films reveal that contrary to what could be expected, the band gap increase is low; the highest values measured do not exceed 2.2eV. However, as suggested by X-ray photoelectron spectroscopy measurements, such widening most probably affects the lower conduction band states.

British Library Electronic Table of Contents (United Kingdom)

The z-phase, existing between 35% and 70% U in Pu, belongs to the high-density phases seen from the point of view of systematics of allotropic modifications of Pu metal. Despite the volume per actinide atom only slightly higher than for a-Pu, it magnetic susceptibility is much higher than for a-Pu and exceeds even the d-Pu value. Similarly, the Sommerfeld coefficient g>40mJ/mol Pu K2 exceeds the experimental d-Pu value. The data confirm that the volume is not the primary control parameter affecting the situation around the Fermi level of common Pu phases and they point against the traditional belief that they are essentially narrow 5f band systems. Electronic structure calculations suggest that the 5f states of Pu have slightly lower occupancy comparing with d-Pu. A tendency to the 5f loca...

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...

British Library Electronic Table of Contents (United Kingdom)

A joint experimental and theoretical analyses based on the grounds of DFT anharmonic potential and the use of a variational method allow us to revisit and assign the gas phase spectra of vinylarsine in the mid-IR area until 6300cm-1. Several weak and very weak bands corresponding to overtones and combinations are newly observed and assigned in complement to the fundamental bands.

International Nuclear Information System (INIS)

An original evaluating method of gain degradation has been found for neutron irradiated transistors. It establishes a correlation between degradation and the product of two coefficients: spectra factor and an electrical parameter which is measured or directly deduced from manufacturer's data. Equivalence for several type of spectra (fission, 14MeV and degradation sensitivity to electrical parameters values of individual components of a batch are obtained.

International Nuclear Information System (INIS)

The complexing of paramagnetic salts of molybdenum and tungsten with tri-tert-butylphenyl ester of 1,2-naphthoquinone-diazide-(2)-5-sulfochloride is studied by PMR and EPR methods. From the changes of half-widths of lines in PMR spectra and analysis of g-factor in EPR spectra, the kinetic and thermodynamic parameters of the complexing are determined, and the composition of the complexes formed is established, and the schemes of their formation are suggested.

Energy Technology Data Exchange (ETDEWEB)

Energy spectra of the Bragg reflection of the Moessbauer ..gamma..-radiation from the /sup 57/Fe/sub 3/BO/sub 6/ weakly ferromagnetic monocrystal are studied. A strong effect of the interference transitions in iron nuclei, being in non-equivalent positions, on the spectra form is revealed. The measurement results are compared with theoretical calculations.

International Nuclear Information System (INIS)

Intrinsic crossluminescence (CRL) of CsBr, CsCl, and of BaF_2 was investigated with electron-beam and synchrotron radiation excitation. From the CRL spectra, the excitation spectra and the reflectivity, energy level schemes were deduced. Extrinsic CRL was observed changing either the initial (CsCl:Br"-) or the final (RbCl:Cs"+; KCl:Cs"+) state of CRL by doping. (author).

Energy Technology Data Exchange (ETDEWEB)

The gamma-ray spectrum following neutron capture on /sup 87/Sr was measured at 3 neutron energies: E/sub n/ = thermal, 2 keV, and 24 keV. Gamma rays were detected in a three-crystal Ge(Li)-NaI-NaI pair spectrometer. Gamma-ray intensities deduced from these spectra by spectral unfolding are presented.

International Nuclear Information System (INIS)

Neutron time-of flight spectra were measured from 90 MeV protons and 140 MeV alpha-particle bombardment of Al, Ni, Zr, and Bi at laboratory angles between 20"0 and 130"0. The proton induced neutron spectra reveal three distinct energy regions; a low energy evaporation region, a high-energy region dominated by quasi-free scattering processes and an intermediate-energy region dominated by multi-step, pre-equilibrium processes. In the latter two regions, the spectra show strong angular dependence. The alpha-induced neutron spectra show these same distinct energy regions plus an exponential fall-off above the beam energy per nucleon. The high-energy portions of the forward-angle neutron and proton cross sections are in ratios consistent with the assumption that single nucleon-nucleon scattering dominates. For heavy-mass targets, the low-energy evaporation regions show neutron yields larger than proton ...

Science.gov (United States)

Based on our cryogenic FT-IR spectroscopic studies of hydrogen bonds in cholic acid, the two-dimensional FT-IR spectroscopy was applied to enhance our understanding of the hydrogen bonds. Fine spectral structures were revealed by asynchronous 2D FT-IR spectra. The co-relationship among various bands was discussed according to the synchronous 2D FT-IR spectra. .

International Nuclear Information System (INIS)

Neutron and gamma ray energy spectra were measured using an NE-213 scintillator at depths of 7.2, 15.2, and 22.2 cm in a tissue-equivalent phantom which was uniformly irradiated on one face by deuterium--tritium (DT) neutrons. Coupled neutron--gamma ray multigroup discrete-ordinates calculations were performed using semi-infinite slab geometry. These calculations were used to supplement the measured spectra below 1 MeV. Similar calculations were performed to study the perturbation in the phantom due to the detector. The measured and calculated spectra were used to determine the kerma distributions for neutrons and gamma rays at each location. The gamma radiation was determined to contribute more than 10% of the total dose at each depth. The calculated kerma also reveals that a knowledge of the gamma ray spectra below 1 MeV is desirable. Key words: neutron--gamma spectra, ...

International Nuclear Information System (INIS)

Proper assessment of the hypothesis which correlates polycyclic aromatic hydrocarbons (PAHs) with the unidentified infrared emission bands requires additional experimental laboratory data. In order to address this need, thermal infrared emission studies were performed on a subset of PAHs suggested to be of astrophysical importance. It was proposed that infrared emission from interstellar PAHs occurs following absorption of an ultraviolet photon. Since energy transfer to the ground electronic state can be rapid for a species in which intersystem crossing is negligible, the emission spectrum may be viewed as resulting from an equilibrium vibrational temperature (Leger and d'Hendecourt, 1987). This has been the basis for using infrared absorption spectra to calculate the corresponding emission spectra at various temperatures. These calculations were made using room temperature infrared absorption coefficients instead of those at the temperature of ...

CERN Document Server

The X-ray spectra of some magnetized isolated neutron stars (NSs) show absorption features with equivalent widths (EWs) of 50 - 200 eV, whose nature is not yet well known. To explain the prominent absorption features in the soft X-ray spectra of the highly magnetized (B ~ 10^{14} G) X-ray dim isolated NSs (XDINSs), we theoretically investigate different NS local surface models, including naked condensed iron surfaces and partially ionized hydrogen model atmospheres, with semi-infinite and thin atmospheres above the condensed surface. We also developed a code for computing light curves and integral emergent spectra of magnetized neutron stars with various temperature and magnetic field distributions over the NS surface. We compare the general properties of the computed and observed light curves and integral spectra for XDINS RBS\\,1223 and conclude that the observations can be explained by a thin ...

British Library Electronic Table of Contents (United Kingdom)

The investigation of strongly sintered ''quasi molten'' CuS and CuSe chalcogenides shows that they exhibit a sharp diamagnetic transition and a resistivity drop around 40 K. The reminiscence of such high temperature superconductivity features, never observed to date for these phases, is strongly supported by two chemical characteristics: bidimensionality of the structure and mixed valency of copper. The absence of zero resistance suggests that the internal chemical pressure in the samples has a key role in the existence of superconductivity: the S-S or Se-Se interlayer distances are very sensitive to the pressure, so that the critical distance for the percolation can be reached in the core of the samples, but not at the vicinity of the surface, where relaxation may appear.

International Nuclear Information System (INIS)

The linearized collective Schroedinger equation for nuclear quadrupole surface vibrations incorporates a new spin degree of freeedom with a spin value of 3/2. We use this equation to describe the low energy spectrum of certain even-odd Ir nuclei which have a spin 3/2 in their ground state. For that purpose we explicitly introduce collective spin-dependent potentials which simulate the interaction of the valence nucleon with the core. The linearized Schroedinger equation is transformed into an effective Schroedinger equation with collective spin-dependent potentials. Already collective spin-orbit couplings of SO(3) and SO(5) type are sufficient to reproduce the lowest excited states of even-odd Ir nuclei. (orig.).

International Nuclear Information System (INIS)

The neutron-rich Mn isotopes from A=59 to 63 have been studied through multi-nucleon transfer reactions by bombarding a "2"3"8U target with a beam of "7"0Zn at an energy of E_l_a_b=460 MeV. Prompt #gamma# rays measured by the CLARA array have been identified unambiguously for each nucleus, using coincidence relationships with ions detected in the high-acceptance magnetic spectrometer PRISMA. The new data extends the knowledge of the low-lying level structure of Mn isotopes, which is discussed in terms of the systematics of the region. Results are compared with large-scale shell-model calculations using different effective interactions and valence spaces.

Science.gov (United States)

Within the framework of the cluster approach and the semiempirical SCF MO LCAO method in the CNDO/BW valence approximation, possible pathways have been compared for the dehydroxylation of aluminosilicate systems. It has been shown that dehydroxylation as a result of splitting of a water molecule from an acidic bridge hydroxyl group and a more basic terminal group Al-OH is the most energyfavorable. Apparently, such a dehydroxylation pathway is primarily characteristic for amorphous aluminosilicates. Typical of crystalline aluminosilicates at moderate heat-treating temperature is dehydroxylation through splitting of a water molecule from an acidic bridge hydroxyl group and a neutral Si-OH group; at higher temperatures, there is a possible pathway of dehydroxylation of highsilica zeolites as a result of condensation of two acidic surface hydroxyls.

International Nuclear Information System (INIS)

The paramagnetic susceptibilities of all the RCo_2 compounds for which measurements are available are found to obey a Curie-Weiss law consistent with the modified indirect exchange model. The rare-earth ions are in a well defined tripositive valence state. Paramagnetic moments and paramagnetic Curie temperatures are obtained for these materials for the first time. The paramagnetic moments of these materials are changed from their free-ion values by the effects of itinerant electron polarisation, an effect which is particularly large for SmCo_2 whose paramagnetic moment is almost three times greater than the free-ion value. The modified indirect exchange model is found to be able to give a full description of the magnitude of the rare-earth, cobalt and diffuse moments in polarised neutron experiments. The band structures of the light RCo_2 compounds are found to be distinctly different to those of the heavy RCo_2 compounds. (author).

CERN Document Server

We calculate the quarkonium dissociation rate in the P and CP-odd domains (bubbles) that were possibly created in heavy-ion collisions. In the presence of the magnetic field produced by the valence quarks of colliding ions, parity-odd domains generate electric field. Quarkonium dissociation is the result of quantum tunneling of quark or antiquark through the potential barrier in this electric field. The strength of the electric field in the quarkonium comoving frame depends on the quarkonium velocity with respect to the background magnetic field. We investigate momentum, electric field strength and azimuthal dependence of the dissociation rate. Azimuthal distribution of quarkonia surviving in the electromagnetic field is strongly anisotropic; the form of anisotropy depends on the relation between the electric and magnetic fields and quarkonium momentum. These features can be used to explore the properties of the electromagnetic field created in heavy ion ...

Energy Technology Data Exchange (ETDEWEB)

During the recrystallization by solid-phase-expitaxial (SPE) growth of supersaturated silicon alloys, a high concentration of interstitials is trapped. These are released by subsequent heating causing a transient (greatly enhanced) diffusion of the substitutional dopant by an interstitialcy mechanism. The enhancement may be as much as five orders of magnitude over tracer values, and shows an activation energy of only 1.8 +/- 0.2 eV. Following the transient, the interstitials condense into loops, allowing an independent estimate to be made of their concentration. From these observations, it is proposed that during ion implantation, a fraction of the implanted dopants can acquire their natural valency, and retain it as the crystallization interface passes. For group V dopants this creates the trapped interstitials, giving transient enhanced diffusion when they are released by subsequent annealing. 12 references, 6 figures.

International Nuclear Information System (INIS)

The talk will focus on spin-dependent competition between oblate and prolate shape minima in the potential energy landscape of "1"8"0Hf (the most neutron-rich stable isotope), mediated via the alignment of valence nucleons. Results of a prompt spectroscopic study, using deep inelastic reactions with Gammasphere and CHICO, bombarding a thin "2"3"2Th target with a "1"8"0Hf beam #approx#25% above the Coulomb barrier, will be presented. Nucleon alignments in both prolate and oblate minima will be discussed, as well as the favoring of oblate collective rotation at high spins, observed through a mixing with gamma vibrations built on the prolate shape.

International Nuclear Information System (INIS)

A new high-sensitivity wide-bandwidth 1.25-5.5 eV (225-1000 nm) spectrometer has been constructed to measure luminescence emission spectra of minerals that are of interest for optical dating. Spectra of emission resulting from 1.43 eV (IR) excitation after #gamma#-irradiation are reported for 13 cut rock feldspars and 20 feldspar separates. Also reported are phosphorescence spectra following #gamma#-irradiation, and after 1.4 eV excitation. The main differences between the infrared stimulated luminescence spectra and the phosphorescence is the almost complete absence of the violet, 3.1 eV, and yellow-green, 2.2 eV, bands in the phosphorescence, and the presence of a green emission band centred at 2.7 eV in the phosphorescence following #gamma#-irradiation (but absent in the phosphorescence following 1.4 eV excitation). The red, 1.7 eV, band is present in all the phosphorescence ...

Energy Technology Data Exchange (ETDEWEB)

Crystalline {alpha}-Fe{sub 2}O{sub 3} powder was prepared by the mechanical milling of crystalline {alpha}-FeOOH at room temperature in air. This result means that crystalline {alpha}-FeOOH is dehydrated by mechanical milling at room temperature. The obtained {alpha}-Fe{sub 2}O{sub 3} powder worked as a rechargeable electrode material in lithium ion conductive organic electrolytes. The electrodes exhibited high discharge capacities of over 1000mAhg{sup -1} corresponding to 6 Li per {alpha}-Fe{sub 2}O{sub 3} at potentials ranging from the open circuit potential to 0.5V (versus Li{sup +}/Li) in the first discharging (lithium insertion) process. This suggests that the valence deviation from Fe{sup 3+} in {alpha}-Fe{sub 2}O{sub 3} to Fe{sup 0} may be caused by electrochemical reduction. In contrast, after the first discharge, the electrodes exhibited high charge capacities of more than 700mAhg{sup -1} corresponding to 4.2 Li per {alpha}-Fe{sub 2}O{sub 3} in the first ...

International Nuclear Information System (INIS)

The projector augmented-wave (PAW) method was developed by Bloechl as a method to accurately and efficiently calculate the electronic structure of materials within the framework of density-functional theory. It contains the numerical advantages of pseudopotential calculations while retaining the physics of all-electron calculations, including the correct nodal behavior of the valence-electron wave functions and the ability to include upper core states in addition to valence states in the self-consistent iterations. It uses many of the same ideas developed by Vanderbilt in his open-quotes soft pseudopotentialclose quotes formalism and in earlier work by Bloechl in his open-quotes generalized separable potentials,close quotes and has been successfully demonstrated for several interesting materials. We have developed a version of the PAW formalism for general use in structural and dynamical studies of materials. In the present paper, we ...

International Nuclear Information System (INIS)

Ab initio calculations of the electronic structure were performed for the silver palladium oxide, Ag_2PdO_2, by the full potential mixed linearized augmented plane wave and augmented plane wave plus local orbitals method (mixed LAPW/APW+lo) within the density functional theory and using the generalized gradient approximation (GGA96, Phys. Rev. Lett. 77 (1996) 3865) for the exchange-correlation potential. The lattice parameters were calculated from the ground-state total energy versus volume curve, and are in good agreement with the available experimental results. Our calculations of band structure predicted that the compound Ag_2PdO_2 has indirect band gap, and the Pd 4d states strongly hybridize with the O 2p states all over the valence bands and conduction bands. The valence bands are composed mainly of Ag, Pd 4d states and O 2p states, while the conduction bands consist mainly of the Pd 4d states and O 2p states. In addition, focusing on the ...

International Nuclear Information System (INIS)

A time-of-flight mass spectrometer has been constructed to measure the energy spectra of particles scattered by 10"0 with primary energies between 200 eV and 15 keV. The energy resolution #DELTA#E/E of the system is between 0.1 and 0.4%. Energy spectra of scattered molecules and their dissociation products are shown for 570 eV H_2"+ and 4430 eV N_2"+ as projectiles. Electron capture into unbound states of the neutral molecule, with perhaps some contribution from mutual scattering within the molecule, appears to explain the observed dissociation product energy spectra peak widths. (orig.).

CERN Document Server

This document is divided in two parts. The first part deals with the radial velocities (RV) distributions for B-type stars and nebulosities observed with the VLT-GIRAFFE in the Large and Small Magellanic Clouds towards the open clusters NGC2004 and NGC330. Thanks to the resolution of GIRAFFE spectra, we found that the RV distribution for the nebulosities in the LMC is bi-modal. This bi-modality can be interpreted, in term of dynamics, by the expansion of the LMC4 superbubble. The second part deals with the GAIA space mission and the determination of the radial velocities by using Radial Velocity Spectrometer (RVS) spectra. The methods to determine the radial velocities are presented as well as preliminary results on simulated RVS spectra.

International Nuclear Information System (INIS)

The chemical state of iron contained in several kinds of bauxite, which are utilized as a raw material in the aluminum industry in Japan, were investigated by Moessbauer spectroscopy. The main compounds of iron were identified from the results, which showed variations of the Moessbauer absorption spectra with calcination and measuring temperature. Although the absorption intensities of the spectra differed significantly, major species identified were paramagnetic or superparamagnetic #alpha#-Fe_2O_3 in all of these bauxite samples. The superparamagnetic #alpha#-Fe_2O_3 was found mainly in the gibbsite-type bauxite, but not in the boehmite/gibbsite-type or the boehmite-type bauxite. The Moessbauer absorption spectra of red mud and its calcined products were also given. (author).

International Nuclear Information System (INIS)

The paper studies the effect of crystal structure of LiNbO_3 monocrystals on NMR spectra of "7 Li and "9"3 Nb. Models of defect structure are analyzed via comparison of NMR experimental spectra and gradients of electrical field predicted on the basis of the calculations on "7 Li and "9"3 Nb nuclei using the relevant model. It is shown that no one of the main models of lithium niobate defect structure explains the peculiarities of NMR spectra. Conclusions are made about the independence of the reasons of occurrence of NMR additions lines "7 Li and "9"3 Nb, as well as, about links of "9"3 Nb NMR weak additional lines with the ranges of a different crystalline phase that may form while growing. 18 refs., 2 figs., 3 tabs.

International Nuclear Information System (INIS)

The characteristics of infrared-stimulated luminescence (IRSL) from a sample of potassium feldspar at low temperatures are presented. These studies extend the previous work from this laboratory on the optical bleaching characteristics and emission spectra of feldspars at room temperature and recent measurements of the stimulated spectrum for a sample of potassium feldspar at room temperature. Stimulation spectra have been measured at 290, 160 and 145 K. By fitting Gaussian functions to the spectra, the peak position is shown to shift to higher photon energies at lower temperatures and the full-width half-maximum of the peak to reduce with decreasing temperature. The variation of IRSL intensity with temperature for several stimulating wavelengths has been determined and the form of the IRSL decay curve measured at 290 and 160 K. No substantial differences were observed in the form of the decay curves at each temperature. ...

Energy Technology Data Exchange (ETDEWEB)

A plutonium gamma-ray analysis system that operates on MS-DOS-based computers has been developed for the International Atomic Energy Agency (IAEA) to perform in-field analysis of plutonium gamma-ray spectra for plutonium isotopics. The program titled IAEAPU consists of three separate applications: a data-transfer application for transferring spectral data from a CICERO multichannel analyzer to a binary data file, a data-analysis application to analyze plutonium gamma-ray spectra, for plutonium isotopic ratios and weight percents of total plutonium, and a data-quality assurance application to check spectral data for proper data-acquisition setup and performance. Volume 3 contains the software listings for these applications.

International Nuclear Information System (INIS)

The molar extinction coefficients at the absorption maximum of the solvated electron spectrum have been evaluated to be 900, 970, and 1000 mol-1?m2 for 1,2-ethanediol (12ED), 1,2-propanediol (12PD), and 1,3-propanediol (13PD), respectively. These values are two-third or three-fourth of the value usually reported in the published report. Picosecond pulse radiolysis studies have aided in depicting the radiolytic yield of the solvated electron in these solvents as a function of time from picosecond to microsecond. The radiolytic yield in these viscous solvents is found to be strongly different from that of the water solution. The temperature dependent absorption spectra of the solvated electron in 12ED, 12PD, and 13PD have been also investigated. In all the three solvents, the optical spectra shift to the red with increasing temperature. While the shape of the spectra does not change in 13PD, a widening on the blue side of the ...

UK PubMed Central (United Kingdom)

The factors determining temperature and current coefficients of lasing wavelength are investigated and discussed under monitoring CO₂-gas absorption spectra. The diffusion rate of...Full Text Available

International Nuclear Information System (INIS)

Russian 1986. p. 339. USSR Smirnov, AV Antropov, AE Osorio, VF Zarubin,

Energy Technology Data Exchange (ETDEWEB)

The current status of cosmological observations is presented; and the light curves and radiation spectra from supernova SN1987A are used in comparison between expected and observed universal nucleosynthesis and star evolution data./aip/.

International Nuclear Information System (INIS)

The new Gaussian potentials and interactions with forbidden states consistent with the phase scattering at low energies were obtained. Cross sections, resonance level spectra and some characteristics of bound states of lithium nuclei are calculated with these potentials.

International Nuclear Information System (INIS)

The radioactive decay of "2"0"3Bi is studied. A level scheme is proposed for "2"0"3Pb on the basis of #gamma#-ray and electron spectra and #gamma#-#gamma# coincidence measurements. The experimental data are compared with theoretical results obtained in a three quasiparticle approximation. (Auth.).

Energy Technology Data Exchange (ETDEWEB)

A combination of degenerate four-wave mixing spectroscopy and a low-pressure sampling technique has been studied for isotopic analysis in an air-acetylene flame. Hyperfine spectra of D lines of sodium and several mixtures of lithium isotopes obtained in this way are presented.

CERN Document Server

We report $^{7}$Li pulsed NMR measurements in polycrystalline and single crystal samples of the quasi one-dimensional S=1 antiferromagnet LiVGe$_2$O$_6$, whose AF transition temperature is $T_{\\text{N}}\\simeq 24.5$ K. The field ($B_0$) and temperature ($T$) ranges covered were 9-44.5 T and 1.7-300 K respectively. The measurements included NMR spectra, the spin-lattice relaxation rate ($T_1^{-1}$), and the spin-phase relaxation rate ($T_2^{-1}$), often as a function of the orientation of the field relative to the crystal axes. The spectra indicate an AF magnetic structure consistent with that obtained from neutron diffraction measurements, but with the moments aligned parallel to the c-axis. The spectra also provide the $T$-dependence of the AF order parameter and show that the transition is either second order or weakly first order. Both the spectra and the $T_1^{-1}$ data show that $B_0$ has at most ...

International Nuclear Information System (INIS)

The absorption spectra of plutonium ions in nitric acid have been described. There is a characteristic change in the absorption spectra of Pu v in lithium nitrate solutions. In 2 M-lithium nitrate a new peak at 969 nm and high absorption at 1200 nm are noticed. A decrease in the absorption by about 20% and the appearance of a new shoulder at 1120 nm in 6 M-lithium nitrate are found. There is no change in the spectrum in 4 M-lithium nitrate. The absorption spectra of plutonium ions in the spectral range 200 - 400 nm are interesting. All plutonium ions have an intense band in the region 250 - 260 nm as well as a less intense and rather diffuse band at 320 - 330 nm in lithium nitrate solutions the sharp band at 250 - 260 nm has disappeared. This suggests that this band is very sensitive to the environmental field. The band is probably produced by 5 F"q#-># 5 f"q"-"1 6 d transition as well as electron transfer. It is ...

CERN Document Server

We present ultraviolet spectra of Mira's companion star from the Space Telescope Imaging Spectrograph (STIS) instrument on board the Hubble Space Telescope (HST). The companion is generally assumed to be a white dwarf surrounded by an accretion disk fed by Mira's wind, which dominates the UV emission from the system. The STIS UV spectrum is dominated by numerous, narrow H2 lines fluoresced by H I Ly-alpha, which were not detected in any of the numerous observations of Mira B by the International Ultraviolet Explorer (IUE). The high temperature lines detected by IUE (e.g., C IV 1550) still exist in the STIS spectrum but with dramatically lower fluxes. The continuum fluxes in the STIS spectra are also much lower, being more than an order of magnitude lower than ever observed by IUE, and also an order of magnitude lower than fluxes observed in more recent HST Faint Object Camera objective prism spectra from 1995. Thus, the ...

Energy Technology Data Exchange (ETDEWEB)

In order to study the effects of microwaves on chemical reactions equipment was designed to acquire in-situ vibrational spectra of sol-gel components as they are irradiated with microwaves. Fourier Transform Infrared (FTIR) and Raman spectroscopy were used. A low temperature (10K) FTIR cell was used to trap samples in an argon matrix at 10{sup -7} Torr. For the liquid samples no differences were seen in spectra of irradiated and nonirradiated samples, but the argon matrix isolation technique showed dramatic differences.

CERN Document Server

A calorimetric-time-of-flight (CTOF) technique was used for real-time, high-precision measurement of neutron spectrum at the angle of 175 degrees from the initial proton beam direction, which hits a face plane of a cylindrical iron target of 20 cm in diameter and 25 cm thick. A comparison was performed between the neutron spectra predicted by the MARS and the MCNPX code systems and measured by experiments for 0.4-, 0.6-, 0.8-, 1.0-, and 1.2-GeV protons.

Science.gov (United States)

Syntheses of all five of the singly labeled (/sup 15/N)adenines are now provided. The presence or absence of two-bond /sup 15/N-/sup 1/H spin couplings in their /sup 1/H NMR spectra confirm the location of the isotope in each case. The fragmentation patterns in their mass spectra are indicative of the sequential losses of HCN units and of CH/sub 2/N/sub 2/ from adenine upon electron impact.

Energy Technology Data Exchange (ETDEWEB)

Sixty-seven unresolved objects with flat blue spectra that had no apparent features on the plates of the Case Low-Dispersion Northern Sky Survey have been observed at higher dispersion and to shorter wavelengths in order to determine their nature. The following classifications are proposed: 20 low-redshift QSOs (z greater than 1.7), two Seyfert 2 galaxies, 23 stars, and two variable objects. The spectra obtained for the remaining 20 objects were flat with no obvious features, but noisy, and these will need further observation. 5 references.

International Nuclear Information System (INIS)

The "8"8Y decay has been studied with the aim to discover emission of monohromatic positrons (MP). The "8"8Sr(d,2N) reaction was used for production of "8"8Y (#beta#"+, Tsub(1/2)=106.6 days) nuclides. The prismatic beta spectrometer has been used to measure spectra of electrons and positrons. No MPs have been found. The resulting upper bound for their emission rate turned out to be lower than theoretically expected one.

Energy Technology Data Exchange (ETDEWEB)

The statistical {gamma}-spectra of highly excited even-even rare earth nuclei are simulated applying appropriate level density and strength function to a given nucleus. Hindrance effects due to K-conservation are taken into account. Simulations are compared to experimental data from the {sup 163}Dy({sup 3}He,{alpha}){sup 162}Dy and {sup 173}Yb({sup 3}He,{alpha}){sup 172}Yb reactions. The influence of the K quantum number at higher energies is discussed. 21 refs., 7 figs., 2 tabs.

International Nuclear Information System (INIS)

We construct a phenomenological model which describes the dynamical chiral symmetry breaking (DCSB) of a QCD vacuum and reproduces meson spectra. Quark condensates, the pion decay constant, and meson spectra are well reproduced by the phenomenological interaction which consists of a linear confining potential, a Coulombic potential, and the close-quote t Hooft determinant interaction. In this model, the close-quote t Hooft determinant interaction plays an important role to not only the mass difference between the #eta# and #eta#"' mesons, but other meson masses through DCSB. copyright 1997 The American Physical Society.

CERN Document Server

In the inflationary scenario of loop quantum cosmology (LQC) in the presence of inverse-volume corrections, we give analytic formulas for the power spectra of scalar and tensor perturbations convenient to confront with observations. Since inverse-volume corrections can provide strong contributions to the running spectral indices, inclusion of terms higher than the second-order runnings in the power spectra is crucially important. Using the recent data of cosmic microwave background (CMB) and other cosmological experiments, we place bounds on the quantum corrections for a quadratic inflaton potential.

Energy Technology Data Exchange (ETDEWEB)

Using the [sup 57]Fe Moessbauer spectroscopy, the microscopic behavior of Fe powders has been investigated during and after the mechanical alloying (MA) process for Al-Fe and Ag-Fe systems. A repeated rolling method as well as a conventional ball-milling method are employed in order to understand the microscopic process of the kneading of Al and Fe powders during their MA and the resultant powders show quite similar Moessbauer spectra suggesting that the kneading by an impact between colliding balls is the same process as that of the thickness reduction by cold rolling. Moessbauer spectra show clearly the occurrence of the mutual atomic dispersion for the thermodynamically immiscible Ag-Fe system. (orig.).

Energy Technology Data Exchange (ETDEWEB)

Silicon nitride hybrid ball bearings used in high temperature applications undergo mechanical and environmental degradation. To study the surface chemistry of silicon nitride, a CAChe{trademark} Worksystem* has been used to generate the clusters and corresponding transmission vibrational spectra of silicon nitride. In the present study, the effect of surface conditions on the surface chemistry and wear degradation of silicon nitride was evaluated. Infrared reflection spectroscopy (IRRS) used to determine molecular orientations shows a difference in reflectance spectra for fractured and as-received.

Energy Technology Data Exchange (ETDEWEB)

The prompt neutron spectra of {sup 241}Am, {sup 242m}Am, and {sup 243}Am were evaluated for the next version of Japanese Evaluated Nuclear Data Library, using the methodology developed by the authors. The method is based on the Madland-Nix theory with some improvements to consider the multimodal nature of the fission process, and shell effects on the level density parameters and the neutron multiplicity from light and heavy fragments. The results were compared with previous evaluations. (authors)

Energy Technology Data Exchange (ETDEWEB)

Band-structure studies of NbN and VN are reported. The results of angle-resolved photoemission experiments performed on NbN/sub 0.93/ and VN/sub 0.89/ are presented. The bulk-band structures calculated for stoichiometric NbN and VN using the linearized augmented-plane-wave method are presented and utilized in the interpretation of the experimental spectra. It is shown that most of the features in the spectra can be accounted for by direct bulk-band transitions. A fairly good agreement between experimental and calculated band locations and dispersions is obtained.

International Nuclear Information System (INIS)

Spectra of e.p.r. radicals in cellulose and timber gamma-irradiated at 77 and 300 K have been measured. Radiation yields and the kinetics of radicals accumulation have been studied. The effect of ionizing radiation on cellulose is the appearance of radicals resulting from rupture of C-H bonds in positions 1 and 4. Timber, additionally, forms ''lignin'' radicals. A mechanism of cellulose and timber radiolysis is suggested. ''Lignin''-type compounds present in timber protect polysaccharides from radiation-induced destruction.

Science.gov (United States)

This paper obtains the acidity spectra of modernites and SVK-zeolites from the heats of adsorption of NH/sub 3/ at 300 C and compares the catalytic activity of these zeolites with the cracking of n-octane and the isomerization of o-xylene. It is shown that the calculation of the specific catalytic activity of centers of different strengths by the method of regional rates allows one to predict the activity of the zeolites from the acidity spectra. It follows from the calculation that only the centers of Bronsted acidity are active towards cracking but that the centers of Lewis acidity are also active towards isomerization.

International Nuclear Information System (INIS)

We have studied the correlation between the chemical state and the oxygen-sensing properties of an iron oxide thin film using a setup that allows simultaneous sensor resistance measurements and X-ray photoelectron spectroscopy (XPS) data acquisition. The gas exposures were performed at the highest operating pressure of the XPS spectrometer at a controlled sample temperature which allows direct comparison between the sensor response and the chemical state of the surface. The iron oxide film was modified by a sequence of argon ion sputtering steps and the induced changes in the chemical state, resistance, and sensitivity to oxygen were investigated. The sputtering was found to reduce the iron from the Fe"3"+ to the Fe"2"+ state and to decrease the sensor resistance. The measured sensitivity to oxygen first increased by a factor of two but then collapsed to its original level. The mechanism for oxygen sensing was found to be filling of the oxygen vacancies in the ...

Energy Technology Data Exchange (ETDEWEB)

In this study, the effects of 325nm wavelength ultraviolet light irradiation on pitting corrosion behavior of type 340 stainless steel in a neutral chloride solution are studied. Further, the change of passive film with the light irradiation is analyzed using x-ray photoelectron spectroscopy. The mains results obtained therefrom are stated below. Pitting potential can be shifted in noble direction by the ultraviolet light irradiation. The effect of ultraviolet light irradiation is ore prominent in the pitting corrosion process than that in the passive film formation. The result of the analysis in terms of the birth and death stochastic probability process shows that pitting corrosion rate is decreased remarkably by the ultraviolet light irradiation at the formation of passive film, while the repassivation is slightly expedited by the ultraviolet light irradiation. On the other hand, the repassivation rate is increased a little by the ultraviolet light irradiation ...

Energy Technology Data Exchange (ETDEWEB)

The structural change of the (100-x)(0.6Li[sub 2]S[center dot]0.4SiS[sub 2])centre dotxLi[sub 3]PO[sub 4] oxysulfide glassesduring crystallization was analyzed by means of solid-state nuclear magnetic resonance (NMR) and X-ray photoelectron spectroscopy (XPS). The unique tetrahedral units of SiO[sub n]S[sub 4-n] (n=1,2,3) and PO[sub n]S[sub 4-n] (n=1,2,3) present in the glass samples vanished and the SiS[sub 4], PS[sub 4], SiO[sub 4] units increased with proceeding of the crystallization process. Nonbridging sulfur and oxygen atoms decreased while bridging oxygens and S[sup 2-] increased with proceeding of the crystallization process. Large structural difference between the glass and the corresponding crystallized sample explained the high stability against crystallization found in the oxysulfide glass with the composition of X=5. (author)

Energy Technology Data Exchange (ETDEWEB)

Silver silica nanocomposites were obtained by the sol-gel technique using tetraethyl orthosilicate (TEOS) and silver nitrate (AgNO{sub 3}) as precursors. The silver nitrate concentration was varied for obtaining composites with different nanoparticle sizes. The structural and microstructural properties were determined by x-ray diffractometry (XRD), Fourier transform infrared spectroscopy (FTIR) and transmission electron microscopy (TEM). X-ray photoelectron spectroscopic (XPS) studies were done for determining the chemical states of silver in the silica matrix. For the lowest AgNO{sub 3} concentration, monodispersed and spherical Ag crystallites, with an average diameter of 5 nm, were obtained. Grain growth and an increase in size distribution was observed for higher concentrations. The occurrence of surface plasmon resonance (SPR) bands and their evolution in the size range 5-10 nm is studied. For decreasing nanoparticle size, a redshift and broadening of the ...

International Nuclear Information System (INIS)

Thermochromic tungsten-doped vanadium dioxide (VO2) powders were successfully synthesized by thermal reduction using V2O5 as a vanadium precursor. The products were characterized by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM) and differential scanning calorimetry (DSC). The results indicated that W was successfully doped into the crystal lattice of VO2 matrix, and prepared tungsten-doped VO2 had a rod-like morphology. The effects of reducing temperature and annealing temperature on the crystallographic structures were also discussed. The phase transition temperature (Tt) of VO2 could be simply tuned by changing the doping concentration of tungsten. When the doping concentration was 1.58 mol%, the Tt could be reduced to 37.8 oC from initial 69.5 oC, suggesting that tungsten-doped VO2 possesses prominent thermochromic properties and optical switching characters. It has shown that this convenient and efficient ...

British Library Electronic Table of Contents (United Kingdom)

Herein, we report engineering of nanostructured p-CuIn3Se5/n-CdS heterojunction thin film on a glass substrate, which is prepared at room temperature using simple wet chemical approach involving ion exchange reactions between CdS and Cu^+, In^3^+ and Se^2^- ions in alkaline medium. The uniform deposition of heterojunction thin films is achieved by optimizing the pH, temperature and molarity of the reactant bath. The as-deposited thin-films were annealed at 200^oC in air for 1h and further characterized for structural, optical and electrical properties using UV-Vis spectrophotometer, X-ray diffraction (XRD), scanning electron microscopy, transmission electron microscopy, X-ray photoelectron spectroscopy (XPS), Hall effect for type of conductivity, and I-V measurement to investigate the char...

Energy Technology Data Exchange (ETDEWEB)

The electron affinities of indium and thallium were measured in separate experiments using the laser-photodetachment electron spectroscopy technique. The measurements were performed at the University of Nevada, Reno. Negative ion beams of both indium and thallium were extracted from a cesium-sputter negative ion source, and mass analyzed using a 90{sup o} bending magnet. The negative ion beam of interest was then crossed at 90{sup o} with a photon beam from a cw 25-Watt Ar{sup +} laser. The resulting photoelectrons were energy analyzed with a 160{sup o} spherical-sector spectrometer. The electron affinity of In({sup 2}P{sub 1/2}) was determined to be 0.404 {+-} 0.009 eV and the electron affinity of thallium was determined to be 0.377 {+-} 0.013 eV. The fine-structure splittings in the ground states of the negative ions were also determined. The experimental measurements will be compared to several recent theoretical predictions.

Energy Technology Data Exchange (ETDEWEB)

Industrial applications of thermoplastic polymers are often limited by their poor adhesion properties. In this work the effect of surface oxyfluorination on the adhesion properties was investigated for polyethylene (PE), polyoxymethylene (POM), polybutylene terephthalate (PBT) and polyamide 6 (PA6). The adhesive joint strength was quantified using lap-shear tests. These results were correlated with the changes in the chemical composition of the surface, determined by X-ray photoelectron spectroscopy (XPS), in the surface free energy, measured by the contact angle method, and in the topography, using white-light confocal microscopy. The adhesive strength is strongly improved for all four polymers, but the degree of this increase depends on the polymer type. The surface free energy shows a similar trend for all four polymers. A high surface free energy exceeding 50 mN/m was observed after oxy-fluorination, whereby the polar component was strongly predominant. Surface ...

International Nuclear Information System (INIS)

A novel Ni and Cu-free Zr-based bulk metallic glass (BMG) system with enhancement of glass-forming ability (GFA) and bio-corrosion resistance was prepared by copper mold casting by the addition of Ag. It was found that the addition of Ag can considerably enhance the glass-forming ability, as indicated by the increase of the critical glass dimension from 3 mm diameter of the ternary system to over 10 mm in the alloy of Zr_5_3Co_1_8_._5Al_2_3_._5Ag_5. The bio-corrosion behaviors of the Zr-based BMGs in phosphate buffered solution (PBS) were investigated by electrochemical polarization at 310 K. It was found that the addition of appropriate amount of Ag can enhance the corrosion resistance of the BMGs. The X-ray photoelectron spectroscopy (XPS) indicated that the formation of an Al_2O_3-enriched passive film is mainly responsible for the high corrosion resistance of Ag-bearing alloy in phosphate buffered solution.

International Nuclear Information System (INIS)

The energy resolution of small NaI(Tl), CsI(Tl), BGO, GSO, YAP and LSO crystals has been studied using 16 mm diameter large area avalanche photodiodes (LAAPD) and a 52 mm diameter photomultiplier. The best result of 4.8% for 662 keV #gamma#-rays from a "1"3"7Cs source was obtained with a 9 mm in diameter by 9 mm high CsI(Tl) scintillator coupled to an LAAPD. Measuring the number of primary electron-hole pairs produced in the LAAPD and photoelectrons in the photomultiplier, as well as the noise contribution of the LAAPD, allowed a quantitative discussion of the results. The energy resolutions measured with LAAPDs are comparable to, or significantly better (at certain emission wavelengths) than, those obtained with the photomultiplier. At energies above 100 keV the energy resolution measured with the majority of crystals and the LAAPD was weakly affected by the photodiode noise contribution. The advantages and limitations of LAAPDs in energy spectrometry with ...

Science.gov (United States)

The effect of hydrogen sulfide (H2S) on the chemical looping combustion of coal-derived synthesis gas with bentonite-supported metal oxidesssuch as iron oxide, nickel oxide, manganese oxide, and copper oxideswas investigated by thermogravimetric analysis, mass spectrometry, and X-ray photoelectron spectroscopy (XPS). During the reaction with synthesis gas containing H2S, metal-oxide oxygen carriers were first reduced by carbon monoxide and hydrogen, and then interacted with H2S to form metal sulfide, which resulted in a weight gain during the reduction/sulfidation step. The reduced/sulfurized compounds could be regenerated to form sulfur dioxide and oxides during the oxidation reaction with air. The reduction/oxidation capacities of iron oxide and nickel oxide were not affected by the presence of H2S, but both manganese oxide and copper oxide showed decreased reduction/oxidation capacities. However, the rates of reduction and oxidation decreased in the ...

International Nuclear Information System (INIS)

2-hydroxyethyl methacrylate (HEMA) has been deposited onto the surface of silicon substrate (thickness = 500 ?m) using plasma polymerization technique. Polymerization process was carried out in an in-house developed inductively coupled plasma polymerization setup. The depositions were carried out using RF power supply (13.56 MHz) at power of 75 W for 10 and 40 min. The RF supply was coupled to the inductance through a matching network. The effect of plasma polymerization (surface grafting) on the degree of surface modification has been investigated. The chemical changes on the polymer backbone are followed from the results of Fourier transform infrared (FTIR) spectroscopy and X-ray photoelectron spectroscopy (XPS), which show the peaks corresponding to the functional groups of the HEMA polymerized onto the silicon surface. The morphology of the modified surfaces has also been investigated using scanning electron microscopy (SEM) and atomic force microscopy (AFM). ...

Energy Technology Data Exchange (ETDEWEB)

In this work we present an ultra-low temperature method for the oxidation of an amorphous silicon-carbide-nitride (SiCN) material. The SiCN is deposited on silicon substrates by plasma enhanced chemical vapor deposition using CH{sub 4}, SiH{sub 4}, and N{sub 2} chemistry. The physical and chemical properties are characterized for the as-deposited SiCN and post-oxidized films are discussed. The SiCN film is exposed to oxygen plasma, where it undergoes a chemical transformation into a binary SiO{sub 2} material system. A 1.7 nm/min oxidation rate is typical for this process and compares favorably to oxidation methods utilizing much higher temperatures. The substrate temperature remains extremely low throughout the oxidation process, T{sub s} < 200 deg. C. Changes in film stress, optical constants, film thickness, surface roughness, and film density are measured. Chemical analysis by X-ray photoelectron spectroscopy is reported for both the as-deposited and ...

Energy Technology Data Exchange (ETDEWEB)

Careful sample preparation and secondary ion mass spectroscopy have been used to characterize arsenic dose loss to the silicon-oxide interface. Using high resolution x-ray photoelectron spectroscopy for microprofiling, we have directly observed the pileup of arsenic at the silicon dioxide-silicon interface. At least half of the pileup is shown to be on the silicon side of the interface in the first monolayer of silicon. Monolayer chemical oxidation and etching are successfully used to profile this pileup in silicon. This pileup contains most of the arsenic dose loss that occurs during transient enhanced diffusion. This result is crucial to correctly model the dose loss and provides physical justification for using a trap/detrap model at the interface, which is necessary to account for the fact that the arsenic surface concentration remains constant during an anneal and the fact that the dose loss is partially reversible. Finally, we have found that normal etching ...

British Library Electronic Table of Contents (United Kingdom)

A magnetic core/shell Fe3O4/FeMnOx catalyst was prepared by a simple oxidation-precipitation method. The catalyst was characterized by X-ray diffraction, transmission electron microscope, X-ray photoelectron spectroscopy, Fourier transform infrared spectroscopy, thermogravimetric analysis and cyclic voltammetry. The characterization studies verified that Fe3O4 core was coated with a layer of Fe-Mn oxide. The Fe3O4/FeMnOx was found to be an effective and stable heterogeneous catalyst for the discoloration of methylene blue (MB) in aqueous solution by H2O2. The high catalytic activity is due to the FeMnOx shell, which not only increased the surface hydroxyl groups, but also enhanced the interfacial electron transfer. The discoloration of MB could be due to the decomposition of H2O2 into ?OH ...

International Nuclear Information System (INIS)

The electrochemical behaviour of passive films formed on one austenitic stainless steel (AISI 304) and one ferritic stainless steel (AISI 446) in solutions with pH between 0.6 and 8.4 was studied by capacitance measurements and photocurrent spectroscopy. Compositional characterization of the passive films was done by X-ray photoelectron spectroscopy. The capacitance increases with decreasing pH. Doping densities evaluated from Mott-Schottky plots are in the range 2-6 x 10"2"0 cm"-"3 and increased with the pH in the neutral/alkaline range while in pH 0.6, values above 10"2"1 cm"-"3 were found. The bandgap energy indicates two transitions, at 2.5-2.8 and 3.2 eV. The analytical data reveal that, as the pH increased, the films become enriched in Fe(II) and Fe(III), whereas the Cr(III) gradually decreases. The films formed at very low pH had a behaviour that contrasts with that of the films formed in the neutral/alkaline media. The films are described by a bilayer ...

International Nuclear Information System (INIS)

For many centuries paper was the main material for recording cultural achievements all over the world. Paper is mostly made from cellulose with small amounts of organic and inorganic additives, which allow its identification and characterization and may also contribute to its degradation. Prior to 1850, paper was made entirely from rags, using hemp, flax and cotton fibres. After this period, due to the enormous increase in demand, wood pulp began to be commonly used as raw material, resulting in rapid degradation of paper. Spectroscopic techniques represent one of the most powerful tools to investigate the constituents of paper documents in order to establish its identification and its state of degradation. This review describes the application of selected spectroscopic techniques used for paper characterization and conservation. The spectroscopic techniques that have been used and will be reviewed include: Fourier-Transform Infrared spectroscopy, Raman spectroscopy, Nuclear Magnetic ...

Energy Technology Data Exchange (ETDEWEB)

This work reports studies of ethanol oxidation on Pt-Sn/C catalysts with nearly the same particle size and identical overall composition having different amounts of oxide and alloyed phases. Results of characterization of physical properties by transmission electron microscopy (TEM), X-ray diffraction (XRD), differential scanning calorimetry (DSC), X-ray photoelectron spectroscopy (XPS), and in situ dispersive X-ray absorption spectroscopy (DXAS) are presented. The variation in the amount of oxide and alloyed phases, promoted by heat treatments in mild temperature conditions, does not produce any significant particle growth. Cyclic voltammetry and oxidation of adsorbed CO in acid medium are used to probe the surface conditions. Data on the electrocatalytic activity towards ethanol oxidation, obtained by potential sweeps and chronoamperometry, are discussed and correlate well with the physical properties. This study, carried out in the absence of composition and ...

British Library Electronic Table of Contents (United Kingdom)

Monodisperse europium-activated titania hollow phosphors had been synthesized by a facile one-pot hydrothermal method using carbon spheres as hard templates. Samples were characterized by X-ray powder diffraction, transmission electron microscopy, X-ray photoelectron spectroscopy, energy dispersive spectrometer and photoluminescence spectrum. The strongest emission intensity was observed with TiO2:Eu0.2 hollow spheres and TiO2:Eu0.2 hollow spheres calcining at 550^oC. Moreover, the strongest excitation of TiO2:Eu0.2 hollow spheres transferred from 400 to 500^oC and the effective nonradiative energy transfer from the TiO2 hollow spheres host matrix to Eu^3^+ ions crystal field states was realized due to changes of crystalline field in the environment around Eu^3^+ ions occupying Ti^4^+ site...

Energy Technology Data Exchange (ETDEWEB)

This patent describes a process for the conversion of low molecular weight alkanes to higher molecular weight hydrocarbons. It comprises: contacting the low molecular weight alkanes, at an elevated temperature, with oxygen and a catalyst of the formula Zn{sub a}A{sub b}M{sub c}M'{sub d}O{sub x} wherein A is Li, Na, K, or mixtures thereof; M is Al, Ga, Cr, La, Y, Sc, V, Nb, Ta, Cu or mixtures thereof; M' is Cs, Rb, Mg, Ca, Sr, Ba, Sm, Pb, Mn, Sb, P, Sn, Bi, Ti, Zr, Hf, or mixtures thereof; a if from about 1 to about 20; b is from about 0.1 to about 20; c is from about 0 to about 5 d is from about 0 to about 20, and x is a number needed to fulfill the valence requirements of the other elements; provided that at least one c and d is a t least 0.1; and when M' is Sn, c must be at least 0.1.

CERN Document Server

We review the interplay of frustration and strong electronic correlations in quasi-two-dimensional organic charge transfer salts, such as k-(BEDT-TTF)_2X and Et_nMe_{4-n}Pn[Pd(dmit)2]2. These two forces drive a range of exotic phases including spin liquids, valence bond crystals, pseudogapped metals, and unconventional superconductivity. Of particular interest is that in several materials there is a direct transition as a function of pressure from a spin liquid Mott insulating state to a superconducting state. Experiments on these materials raise a number of profound questions about the quantum behaviour of frustrated systems, particularly the intimate connection between spin liquids and superconductivity. Insights into these questions have come from a wide range of theoretical techniques including first principles electronic structure, quantum many-body theory and quantum field theory. In this review we introduce the basic ideas of the field by discussing a simple ...

British Library Electronic Table of Contents (United Kingdom)

A novel visible light sensitive photocatalyst, AgSbO3 was prepared by a conventional solid-state reaction method. This oxide belonging to a cubic-pyrochlore structure can absorb visible light with wavelength up to about 480nm. From the band structure calculation, we found that the top of the valence band consists of the hybridized Ag 4d and O 2p orbitals and the bottom of the conduction band mainly consists of the Ag 5s and the Sb 5s orbitals. Photocatalytic activities were evaluated using O2 evolution from an aqueous silver nitrate solution and decomposition of gaseous 2-propanol under visible light irradiation. We found that AgSbO3 shows a higher O2 evolution activity than WO3 and 2-propanol can be mineralized by the AgSbO3 photocatalysis under visible light irradiation.

CERN Document Server

The NuTeV collaboration reported anomalously large weak mixing angle sin^2 theta_W in comparison with the standard model prediction. Neutrino and antineutrino charged- and neutral-current events are analyzed for extracting sin^2 theta_W. Although the Paschos-Wolfenstein relation is not directly used in the analysis, it plays an important role in the determination. Noting that the target nucleus, iron, is not an isoscalar nucleus, we derive a leading-order expression for a modified Paschos-Wolfenstein relation for nuclei, which may have neutron excess. Then, using charge and baryon-number conservations for nuclei, we discuss an important nuclear correction in the sin^2 theta_W determination. It is noteworthy that nuclear modifications are different between valence up- and down-quark distributions. We find that this difference effect could be of the order of the NuTeV sin^2 theta_W deviation.

Energy Technology Data Exchange (ETDEWEB)

The available experimental data on the specific heat, magnetic susceptibility, magnetization, valence, NMR Knight shift and relaxation rate, and the quadrupolar moment of YbPd{sub 2}Si{sub 2} are examined within the framework of the single-ion Anderson model. Such an analysis has previously given excellent agreement between theory and experiment for numerous other light heavy-fermion compounds, where crystalline fields do not play a dominant role. For YbPd{sub 2}Si{sub 2}, substantial crystalline-field splittings make difficult a quantitative comparison with existing exact solutions of the Anderson model. Inconsistencies with the interpretation that a nearly degenerate ground quadruplet determines the low-temperature thermodynamics are pointed out. It is concluded that at least three of the four Kramers doublets participate in the low-{ital T} properties. These three doublets should have a splitting of the order of the Kondo temperature, i.e., about 100 K. A simple ...

International Nuclear Information System (INIS)

We report the results of neutron-diffraction experiments on CeM_2Si_2 (M = Ag,Au,Pd,Rh) which were performed to explore the role of valence fluctuations and 4f hybridization in the magnetic ordering of cerium compounds. All four order antiferromagnetically, the first three exhibiting structures consisting of ferromagnetic layers with moments perpendicular to the layers, which are believed to be characteristic of 4f-4f interactions mediated through hybridization with conduction electrons. CePd_2Si_2 has an anomalously small moment (0.62#mu#/sub B/) in the ordered state. CeAg_2Si_2 exhibits an incommensurate longitudinal, static magnetization wave with moment and propagation direction along the a axis. The fourth compound, CeRh_2Si_2, has the highest known transition temperature (39 K) reported for cerium ordering; it exhibits another second-order transition at 27 K to a complex commensurate structure with modulated moments. The results are discussed in terms of the ...

International Nuclear Information System (INIS)

Measurements have been made on the magnetic susceptibilities of the quasi-one-dimensional magnetic #approx#-UF_5 and the cluster magnetic U_2F_9 (a four-nuclear type) over the range 4.2-300 K. The Curie-Weiss law applies for #approx#-UF_5 above 200 K, with #mu#ef = 2.37#mu#B, theta = -148 K; that law also applies to U_2F_9 above 150 K, with #mu#ef = 2.9#mu#B and theta = 118 K. The antiferromagnetic ordering is discussed for the one-dimensional chains in #approx#-UF_5 together with the phase transition observed in U_2F_9 at 6 K. It is assumed that the U"4"+ and U"5"+ valency states are stabilized below the phase-transition point, and only then can U_2F_9 be considered as the compound UF_4 x UF_5.

International Nuclear Information System (INIS)

The Schroedinger equation for nuclear quadruple surface vibrations is linearized with the consequence that a new spin degree of freedom appears in the wave function of the linearized equation. This spin is called collective spin and has a value of 3/2. The linearized Schroedinger equation for quadrupole vibrations is used for the description of certain collective aspects of even-odd "1"8"7","1"8"9","1"9"1Ir nuclei which have a spin 3/2 in their ground state. As a potential we use the #gamma#-soft collective potential of the neighboring even-even nuclei, which is inserted into the linearized Schroedinger equation via a scalar coupling. This leads to a collective spin-dependent fine structure splitting of the energy levels governed by a collective SO(5) spin-orbit coupling and a correction to the kinetic energy. Further, we consider explicitly spin-dependent potentials which effectively describe the interaction of the valence nucleon with the core of the even-odd Ir ...

Energy Technology Data Exchange (ETDEWEB)

K{beta}-to-K{alpha} X-ray intensity ratios of Ti, V, Cr, and Co in pure metals and their disilicide compounds have been measured following excitation by 59.54 keV {gamma}-rays from a 200 mCi {sup 241}Am point-source. The K{beta}-to-K{alpha} intensity ratios of all these metals in the disilicide compounds are found to be less than the corresponding ratios for pure metals. Comparison of the measured K{beta}-to-K{alpha} intensity ratios for the disilicides and pure metals with the multiconfiguration Dirac-Fock calculations indicates increase of the 3d electron populations of Ti, V, Cr, and Co in the disilicides from their pure metal values suggesting the rearrangement of electrons between 3d and 4s states of the individual metal atom. This rearrangement is found to be opposite to that observed in our previously reported work on NiSi{sub 2} and CuSi{sub 2}.

British Library Electronic Table of Contents (United Kingdom)

Purpose HER2 is a transmembrane tyrosine kinase, which is overexpressed in a number of carcinomas. The Affibody molecule ZHER2:342 is a small (7?kDa) affinity protein binding to HER2 with an affinity of 22?pM. The goal of this study was to evaluate the use of ((4-hydroxyphenyl)ethyl)maleimide (HPEM) for radioiodination of ZHER2:342 and to compare the targeting properties of monomeric and dimeric forms of ZHER2:342. Methods The biodistribution of different radioiodinated derivatives of ZHER2:342 was studied in BALB/C nu/nu mice bearing HER2-expressing SKOV-3 xenografts. Biodistributions of 125I-PIB-ZHER2:342 and site-specifically labelled 125I-HPEM-ZHER2:342-C were compared. Biodistributions of monomeric 131I-HPEM-ZHER2:342-C and dimeric 125I-HPEM-(ZHER2:342)2-C were evaluated using a paire...

International Nuclear Information System (INIS)

The inverse susceptibilities of the monopnictides and monochalcogenides of the light rare earths plotted vs. temperature flatten off at high temperatures. This behaviour is well explained by van Vleck paramagnetism of the excited states of the multiplet. For almost all actinide pnictides and chalcogenides a similar flattening-off is observed. Since spin orbit coupling is much stronger than in the light rare earth compounds an analogous interpretation is not possible. Susceptibility curves for uranium compounds can be fitted by adding a temperature dependent enhanced Pauli paramagnetism to the Curie-Weiss term (modified Curie-Weiss law). The high temperature susceptibility behaviour of neptunium compounds is very similar to uranium compounds i.e. an appreciable deviation from the Curie-Weiss law is only visible for the chalcogenides. The plutonium chalcogenides show a temperature independent paramagnetism, which can be explained either by a model of mixed valency, ...

CERN Document Server

While dealing with molecular systems, it is highly advantageous to work with a basis set which has definite total spin and also belongs to a definite irreducible representation of its symmetry (point) group. But unfortunately, there hadn't been any general simple technique to deal with the problem, especially when molecule possesses non-Abelian point group symmetry. In a previous paper \\cite{sahoo}, we presented a general technique which is a hybrid method based on Valence Bond basis and the basis of z-component of the total spin. The technique is applicable to all types of point groups and is easy to implement on computer. We illustrated the power of the method by applying it to a molecular magnetic system. Here we extend the method to electronic systems and demonstrate this extended technique by applying it to a model icosahedral half-filled electronic system (12 sites). Reasons we took this model are, its a system with huge Hilbert space (dimension 1,778,966; ...

Energy Technology Data Exchange (ETDEWEB)

The $e p\\to e^\\prime p \\rho^0$ reaction has been measured, using the 5.754 GeV electron beam of Jefferson Lab and the CLAS detector. This represents the largest ever set of data for this reaction in the valence region. Integrated and differential cross sections are presented. The $W$, $Q^2$ and $t$ dependences of the cross section are compared to theoretical calculations based on $t$-channel meson-exchange Regge theory on the one hand and on quark handbag diagrams related to Generalized Parton Distributions (GPDs) on the other hand. The Regge approach can describe at the $\\approx$ 30% level most of the features of the present data while the two GPD calculations that are presented in this article which succesfully reproduce the high energy data strongly underestimate the present data. The question is then raised whether this discrepancy originates from an incomplete or inexact way of modelling the GPDs or the associated hard scattering amplitude or whether the ...