Donor impurity-related photoionization cross section in GaAs cone-like quantum dots under applied electric field

NASA Astrophysics Data System (ADS)

Iqraoun, E.; Sali, A.; Rezzouk, A.; Feddi, E.; Dujardin, F.; Mora-Ramos, M. E.; Duque, C. A.

2017-06-01

The donor impurity-related electron states in GaAs cone-like quantum dots under the influence of an externally applied static electric field are theoretically investigated. Calculations are performed within the effective mass and parabolic band approximations, using the variational procedure to include the electron-impurity correlation effects. The uncorrelated Schrödinger-like electron states are obtained in quasi-analytical form and the entire electron-impurity correlated states are used to calculate the photoionisation cross section. Results for the electron state energies and the photoionisation cross section are reported as functions of the main geometrical parameters of the cone-like structures as well as of the electric field strength.

Large tangential electric fields in plasmas close to temperature screening

NASA Astrophysics Data System (ADS)

Velasco, J. L.; Calvo, I.; García-Regaña, J. M.; Parra, F. I.; Satake, S.; Alonso, J. A.; the LHD team

2018-07-01

Low collisionality stellarator plasmas usually display a large negative radial electric field that has been expected to cause accumulation of impurities due to their high charge number. In this paper, two combined effects that can potentially modify this scenario are discussed. First, it is shown that, in low collisionality plasmas, the kinetic contribution of the electrons to the radial electric field can make it negative but small, bringing the plasma close to impurity temperature screening (i.e., to a situation in which the ion temperature gradient is the main drive of impurity transport and causes outward flux); in plasmas of very low collisionality, such as those of the large helical device displaying impurity hole (Ida et al (The LHD Experimental Group) 2009 Phys. Plasmas 16 056111; Yoshinuma et al (The LHD Experimental Group) 2009 Nucl. Fusion 49 062002), screening may actually occur. Second, the component of the electric field that is tangent to the flux surface (in other words, the variation of the electrostatic potential on the flux surface), although smaller than the radial component, has recently been suggested to be an additional relevant drive for radial impurity transport. Here, it is explained that, especially when the radial electric field is small, the tangential magnetic drift has to be kept in order to correctly compute the tangential electric field, that can be larger than previously expected. This can have a strong impact on impurity transport, as we illustrate by means of simulations using the newly developed code kinetic orbit-averaging-solver for stellarators, although it is not enough to explain by itself the behavior of the fluxes in situations like the impurity hole.

Effect of partially ionized impurities and radiation on the effective critical electric field for runaway generation

NASA Astrophysics Data System (ADS)

Hesslow, L.; Embréus, O.; Wilkie, G. J.; Papp, G.; Fülöp, T.

2018-07-01

We derive a formula for the effective critical electric field for runaway generation and decay that accounts for the presence of partially ionized impurities in combination with synchrotron and bremsstrahlung radiation losses. We show that the effective critical field is drastically larger than the classical Connor–Hastie field, and even exceeds the value obtained by replacing the free electron density by the total electron density (including both free and bound electrons). Using a kinetic equation solver with an inductive electric field, we show that the runaway current decay after an impurity injection is expected to be linear in time and proportional to the effective critical electric field in highly inductive tokamak devices. This is relevant for the efficacy of mitigation strategies for runaway electrons since it reduces the required amount of injected impurities to achieve a certain current decay rate.

External electric field effect on the binding energy of a hydrogenic donor impurity in InGaAsP/InP concentric double quantum rings

NASA Astrophysics Data System (ADS)

Hu, Min; Wang, Hailong; Gong, Qian; Wang, Shumin

2018-04-01

Within the framework of effective-mass envelope-function theory, the ground state binding energy of a hydrogenic donor impurity is calculated in the InGaAsP/InP concentric double quantum rings (CDQRs) using the plane wave method. The effects of geometry, impurity position, external electric field and alloy composition on binding energy are considered. It is shown that the peak value of the binding energy appears in two rings with large gap as the donor impurity moves along the radial direction. The binding energy reaches the peak value at the center of ring height when the donor impurity moves along the axial direction. The binding energy shows nonlinear variation with the increase of ring height. With the external electric field applied along the z-axis, the binding energy of the donor impurity located at zi ≥ 0 decreases while that located at zi < 0 increases. In addition, the binding energy decreases with increasing Ga composition, but increases with the increasing As composition.

Negligible carrier freeze-out facilitated by impurity band conduction in highly p-type GaN

NASA Astrophysics Data System (ADS)

Gunning, Brendan; Lowder, Jonathan; Moseley, Michael; Alan Doolittle, W.

2012-08-01

Highly p-type GaN films with hole concentrations exceeding 6 × 1019 cm-3 grown by metal-modulated epitaxy are electrically characterized. Temperature-dependent Hall effect measurements at cryogenic temperatures reveal minimal carrier freeze-out in highly doped samples, while less heavily doped samples exhibited high resistivity and donor-compensated conductivity as is traditionally observed. Effective activation energies as low as 43 meV were extracted, and a maximum Mg activation efficiency of 52% was found. In addition, the effective activation energy was found to be negatively correlated to the hole concentration. These results indicate the onset of the Mott-Insulator transition leading to impurity band conduction.

Impurity-assisted electric control of spin-valley qubits in monolayer MoS2

NASA Astrophysics Data System (ADS)

Széchenyi, G.; Chirolli, L.; Pályi, A.

2018-07-01

We theoretically study a single-electron spin-valley qubit in an electrostatically defined quantum dot in a transition metal dichalcogenide monolayer, focusing on the example of MoS2. Coupling of the qubit basis states for coherent control is challenging, as it requires a simultaneous flip of spin and valley. Here, we show that a tilted magnetic field together with a short-range impurity, such as a vacancy, a substitutional defect, or an adatom, can give rise to a coupling between the qubit basis states. This mechanism renders the in-plane g-factor nonzero, and allows to control the qubit with an in-plane ac electric field, akin to electrically driven spin resonance. We evaluate the dependence of the in-plane g-factor and the electrically induced qubit Rabi frequency on the type and position of the impurity. We reveal highly unconventional features of the coupling mechanism, arising from symmetry-forbidden intervalley scattering, in the case when the impurity is located at a S site. Our results provide design guidelines for electrically controllable qubits in two-dimensional semiconductors.

Effects of electric field and light polarization on the electromagnetically induced transparency in an impurity doped quantum ring

NASA Astrophysics Data System (ADS)

Bejan, D.; Stan, C.; Niculescu, E. C.

2018-01-01

We theoretically investigated the effects of the impurity position, in-plane electric field, intensity and polarization of the probe and control lasers on the electromagnetically induced transparency (EIT) in GaAs/GaAlAs disc shaped quantum ring. Our study reveals that, depending on the impurity position, the quantum system presents two specific configurations for the EIT occurrence even in the absence of the external electric field, i.e. ladder-configuration or V-configuration, and changes the configuration from ladder to V for specific electric field values. The polarization of the probe and control lasers plays a crucial role in obtaining a good transparency. The electric field controls the red-shift (blue-shift) of the transparency window and modifies its width. The system exhibits birefringence for the probe light in a limited interval of electric field values.

Influence of impurities on the high temperature conductivity of SrTiO3

NASA Astrophysics Data System (ADS)

Bowes, Preston C.; Baker, Jonathon N.; Harris, Joshua S.; Behrhorst, Brian D.; Irving, Douglas L.

2018-01-01

In studies of high temperature electrical conductivity (HiTEC) of dielectrics, the impurity in the highest concentration is assumed to form a single defect that controls HiTEC. However, carrier concentrations are typically at or below the level of background impurities, and all impurities may complex with native defects. Canonical defect models ignore complex formation and lump defects from multiple impurities into a single effective defect to reduce the number of associated reactions. To evaluate the importance of background impurities and defect complexes on HiTEC, a grand canonical defect model was developed with input from density functional theory calculations using hybrid exchange correlation functionals. The influence of common background impurities and first nearest neighbor complexes with oxygen vacancies (vO) was studied for three doping cases: nominally undoped, donor doped, and acceptor doped SrTiO3. In each case, conductivity depended on the ensemble of impurity defects simulated with the extent of the dependence governed by the character of the dominant impurity and its tendency to complex with vO. Agreement between simulated and measured conductivity profiles as a function of temperature and oxygen partial pressure improved significantly when background impurities were included in the nominally undoped case. Effects of the impurities simulated were reduced in the Nb and Al doped cases as both elements did not form complexes and were present in concentrations well exceeding all other active impurities. The influence of individual impurities on HiTEC in SrTiO3 was isolated and discussed and motivates further experiments on singly doped SrTiO3.

Clusters of Point Defects Near Dislocations as a Tool to Control CdZnTe Electrical Parameters by Ultrasound

NASA Astrophysics Data System (ADS)

Olikh, Ya. M.; Tymochko, M. D.; Olikh, O. Ya.; Shenderovsky, V. A.

2018-05-01

We studied the temperature dependence (77-300 K) of the electron concentration and mobility using the Hall method under ultrasound (the acoustic Hall method) to determine the mechanisms by which ultrasound influences the electrical activity of near-dislocation clusters in n-type low-ohmic Cd1-x Zn x Te single crystals (N Cl ≈ 1024 m-3; x = 0; 0.04) with different dislocation density (0.4-5.1) × 1010 m-2. Changes in electrophysical parameters were found to occur as a function of temperature and ultrasound intensity. To evaluate the relative contribution of different charge carrier scattering mechanisms (lattice scattering, ionized impurity scattering, neutral impurity scattering, and dislocation scattering) and their change under ultrasound, a differential evolution method was used. This method made it possible to analyze experimental mobility μ H(T) by its nonlinear approximation with characteristic temperature dependence for each mechanism. An increase in neutral impurity scattering and a decrease in ionized impurity and dislocation scattering components were observed under ultrasound. The character and the amount of these acoustically induced changes correlate with particular sample dislocation characteristics. It was concluded that the observed effects are related to the acoustically induced transformation of the point-defect structure, mainly in the near dislocation crystal regions.

Hydrogen-impurity complexes in III V semiconductors

NASA Astrophysics Data System (ADS)

Ulrici, W.

2004-12-01

This review summarizes the presently available knowledge concerning hydrogen-impurity complexes in III-V compounds. The impurities form shallow acceptors on group III sites (Be, Zn, Cd) and on group V sites (C, Si, Ge) as well as shallow donors on group V sites (S, Se, Te) and on group III sites (Si, Sn). These complexes are mainly revealed by their hydrogen stretching modes. Therefore, nearly all information about their structure and dynamic properties is derived from vibrational spectroscopy. The complexes of shallow impurities with hydrogen have been most extensively investigated in GaAs, GaP and InP. This holds also for Mg-H in GaN. The complexes exhibit a different microscopic structure, which is discussed in detail. The isoelectronic impurity nitrogen, complexed with one hydrogen atom, is investigated in detail in GaAs and GaP. Those complexes can exist in different charge states. The experimental results such as vibrational frequencies, the microscopic structure and the activation energy for reorientation for many of these complexes are in very good agreement with results of ab initio calculations. Different types of oxygen-hydrogen complexes in GaAs and GaP are described, with one hydrogen atom or two hydrogen atoms bonded to oxygen. Three of these complexes in GaAs were found to be electrically active.

Development of a Polysilicon Process Based on Chemical Vapor Deposition of Dichlorosilane in an Advanced Siemen's Reactor

NASA Technical Reports Server (NTRS)

Arevidson, A. N.; Sawyer, D. H.; Muller, D. M.

1983-01-01

Dichlorosilane (DCS) was used as the feedstock for an advanced decomposition reactor for silicon production. The advanced reactor had a cool bell jar wall temperature, 300 C, when compared to Siemen's reactors previously used for DCS decomposition. Previous reactors had bell jar wall temperatures of approximately 750 C. The cooler wall temperature allows higher DCS flow rates and concentrations. A silicon deposition rate of 2.28 gm/hr-cm was achieved with power consumption of 59 kWh/kg. Interpretation of data suggests that a 2.8 gm/hr-cm deposition rate is possible. Screening of lower cost materials of construction was done as a separate program segment. Stainless Steel (304 and 316), Hastalloy B, Monel 400 and 1010-Carbon Steel were placed individually in an experimental scale reactor. Silicon was deposited from trichlorosilane feedstock. The resultant silicon was analyzed for electrically active and metallic impurities as well as carbon. No material contributed significant amounts of electrically active or metallic impurities, but all contributed carbon.

Electromigration process for the purification of molten silicon during crystal growth

DOEpatents

Lovelace, Alan M. Administrator of the National Aeronautics and Space; Shlichta, Paul J.

1982-01-01

A process for the purification of molten materials during crystal growth by electromigration of impurities to localized dirty zones. The process has particular applications for silicon crystal growth according to Czochralski techniques and edge-defined film-fed growth (EFG) conditions. In the Czochralski crystal growing process, the impurities are electromigrated away from the crystallization interface by applying a direct electrical current to the molten silicon for electromigrating the charged impurities away from the crystal growth interface. In the EFG crystal growth process, a direct electrical current is applied between the two faces which are used in forming the molten silicon into a ribbon. The impurities are thereby migrated to one side only of the crystal ribbon. The impurities may be removed or left in place. If left in place, they will not adversely affect the ribbon when used in solar collectors. The migration of the impurity to one side only of the silicon ribbon is especially suitable for use with asymmetric dies which preferentially crystallize uncharged impurities along one side or face of the ribbon.

Impurity effects on ionic-liquid-based supercapacitors

NASA Astrophysics Data System (ADS)

Liu, Kun; Lian, Cheng; Henderson, Douglas; Wu, Jianzhong

2017-02-01

Small amounts of an impurity may affect the key properties of an ionic liquid and such effects can be dramatically amplified when the electrolyte is under confinement. Here the classical density functional theory is employed to investigate the impurity effects on the microscopic structure and the performance of ionic-liquid-based electrical double-layer capacitors, also known as supercapacitors. Using a primitive model for ionic species, we study the effects of an impurity on the double layer structure and the integral capacitance of a room temperature ionic liquid in model electrode pores and find that an impurity strongly binding to the surface of a porous electrode can significantly alter the electric double layer structure and dampen the oscillatory dependence of the capacitance with the pore size of the electrode. Meanwhile, a strong affinity of the impurity with the ionic species affects the dependence of the integral capacitance on the pore size. Up to 30% increase in the integral capacitance can be achieved even at a very low impurity bulk concentration. By comparing with an ionic liquid mixture containing modified ionic species, we find that the cooperative effect of the bounded impurities is mainly responsible for the significant enhancement of the supercapacitor performance.

Characterization of zinc selenide single crystals

NASA Technical Reports Server (NTRS)

Gerhardt, Rosario A.

1996-01-01

ZnSe single crystals of high quality and low impurity levels are desired for use as substrates in optoelectronic devices. This is especially true when the device requires the formation of homoepitaxial layers. While ZnSe is commercially available, it is at present extremely expensive due to the difficulty of growing single crystal boules with low impurity content and the resultant low yields. Many researchers have found it necessary to heat treat the crystals in liquid Zn in order to remove the impurities, lower the resistivity and activate the photoluminescence at room temperature. The physical vapor transport method (PVT) has been successfully used at MSFC to grow many single crystals of II-VI semiconducting materials including ZnSe. The main goal at NASA has been to try to establish the effect of gravity on the growth parameters. To this effect, crystals have been grown vertically upwards or horizontally. Both (111) and (110) oriented ZnSe crystals have been obtained via unseeded PVT growth. Preliminary characterization of the horizontally grown crystals has revealed that Cu is a major impurity and that the low temperature photoluminescence spectra is dominated by the copper peak. The ratio of the copper peak to the free exciton peak is being used to determine variations in composition throughout the crystal. It was the intent of this project to map the copper composition of various crystals via photoluminescence first, then measure their electrical resistivity and capacitance as a function of frequency before proceeding with a heat treatment designed to remove the copper impurities. However, equipment difficulties with the photoluminescence set up, having to establish a procedure for measuring the electrical properties of the as-grown crystals and time limitations made us re-evaluate the project goals. Vertically grown samples designated as ZnSe-25 were chosen to be measured electrically since they were not expected to show as much variation in their composition through their cross-section as the horizontally grown samples.

Role of the Muon in Semiconductor Research

NASA Astrophysics Data System (ADS)

Mengyan, Rick (P. W.)

Muons are used in semiconductor research as an experimentally accessible analog to the isolated Hydrogen (H) impurity - a complex that is very difficult (or impossible) to study by other means. Hydrogen impurities of any concentration can modify the electrical, optical or magnetic properties of the host. For instance, H can be incorporated to remove electrically active levels from the energy gap (i.e. passivation) while some can form isolated centers that tend to be responsible for the trap and release of charge carriers and participate in site and charge-state dynamics which certainly affect the electrical properties of the host. Therefore, it can be quite useful to characterize these impurities in semiconducting materials that are of interest for use in devices. A muon has the same charge and spin as a proton but a mass that is nine times lighter. When implanted in a target material, a positively charged muon can behave as a light proton or bind with an electron to form a complex known as Muonium (Mu) with properties that are very similar to that of ionic or neutral H, respectively. A result of these similarities and direct non-destructive implantation is that Mu provides a direct measure of local electronic structure, thermal stability and charge-state transitions of these impurity centers. Since any material can be subjected to muon implantation and it is the muons themselves that mimic the H impurity centers, these measurements do not depend (at all) on the host's solubility of hydrogen nor do they require some minimum concentration; unlike many other techniques, such as EPR, ENDOR, NMR, or IR vibrational spectroscopy. Here we summarize major contributions muons have made to the field of semiconductor research followed by a few case studies to demonstrate the technique and detailed knowledge of the physical and electronic structures as well as dynamics (e.g.: charge-state and site transitions; local motion; long-range diffusion) of Mu/H that can be obtained.

Electrical properties of grain boundaries and dislocations in crystalline silicon: Influence of impurity incorporation and hydrogenation

NASA Astrophysics Data System (ADS)

Park, Yongkook

This thesis examines the electrical properties of grain boundaries (GBs) and dislocations in crystalline silicon. The influence of impurity incorporation and hydrogenation on the electrical properties of grain boundaries , as well as the electrical activity of impurity decorated dislocations and the retention of impurities at dislocations at high temperatures have been investigated. The electrical properties of Si GB were examined by C-V, J-V , and capacitance transient methods using aluminum/Si(100)/Si(001) junctions. First, the density of states and the carrier capture cross-sections of the clean GB were evaluated by C-V/J-V analyses. The density of GB states was determined as 4.0x1012 cm-2eV -1. It was found that the states close to the valance band edge have relatively smaller hole capture cross sections than those at higher energy position, and electron capture cross sections are at least two or three orders larger than the corresponding hole capture cross sections. Secondly, the influence of iron contamination and hydrogenation following iron contamination on the electrical properties of (110)/(001) Si GB was characterized by a capacitance transient technique. Compared with the clean sample, iron contamination increased both the density of states by at least three times and the zero-bias barrier height by 70 meV, while reducing by two orders of magnitude the electron/hole capture cross-section ratio. Hydrogenation following iron contamination led to the reduction of the density of Fe-decorated GB states, which was increased to over 2x1013 cm-2eV-1 after iron contamination, to ˜1x1013 cm-2 eV-1 after hydrogenation treatment. The increased zero-bias GB energy barrier due to iron contamination was reversed as well by hydrogen treatment. The density of GB states before and after hydrogenation was evaluated by J-V, C-V and capacitance transient methods using gold/direct-silicon-bonded (DSB) (110) thin silicon top layer/(100) silicon substrate junctions. The GB potential energy barrier in thermal equilibrium was reduced by 70 meV. Whereas the clean sample had a density of GB states of ˜6x1012 cm-2eV-1 in the range of Ev+0.54˜0.64 eV, hydrogenation reduced the density of GB states to ˜9x1011 cm-2eV -1 in the range of Ev+0.56˜0.61 eV, which is about a seven-fold reduction from that of the clean sample. Segregation and thermal dissociation kinetics of hydrogen at a large-angle general GB in crystalline silicon have been investigated using deuterium as a readily identifiable isotope which duplicates hydrogen chemistry. Segregation or trapping of deuterium (hydrogen) introduced was found to take place at (110)/(001) Si GB. The segregation coefficient (k) of deuterium (hydrogen) at GB was determined as k≈24+/-3 at 100°C. Thermal dissociation of deuterium (hydrogen) from GB obeyed first-order kinetics with an activation energy of ˜1.62 eV. The electrical activities of dislocations in a SiGe/Si heterostructure were examined by deep level transient spectroscopy (DLTS) after iron contamination and phosphorous diffusion gettering. DLTS of iron contaminated samples revealed a peak at 210 K, which was assigned to individual iron atoms or very small (<2 nm) precipitates decorated along dislocations. Arrhenius plot of the 210 K peak yielded a hole capture cross section of 2.4x10-14 cm2 and an energy level of 0.42 eV above the valance band. DLTS of the iron contaminated sample revealed that 6x10 14 cm-3 of boron can more effectively trap interstitial iron at room temperature than the strain field/defect sites at 107 ˜108 cm-2 dislocations. Phosphorous diffusion experiments revealed that the gettering efficiency of iron impurities depends on the dislocation density. For regions of high dislocation density, phosphorous diffusion cannot remove all iron impurities decorated at dislocations, suggesting a strong binding of iron impurities at dislocation core defects.

Impurity effects on ionic-liquid-based supercapacitors

DOE PAGES

Liu, Kun; Lian, Cheng; Henderson, Douglas; ...

2016-12-27

Small amounts of an impurity may affect the key properties of an ionic liquid and such effects can be dramatically amplified when the electrolyte is under confinement. Here the classical density functional theory is employed to investigate the impurity effects on the microscopic structure and the performance of ionic-liquid-based electrical double-layer capacitors, also known as supercapacitors. Using a primitive model for ionic species, we study the effects of an impurity on the double layer structure and the integral capacitance of a room temperature ionic liquid in model electrode pores and find that an impurity strongly binding to the surface ofmore » a porous electrode can significantly alter the electric double layer structure and dampen the oscillatory dependence of the capacitance with the pore size of the electrode. Meanwhile, a strong affinity of the impurity with the ionic species affects the dependence of the integral capacitance on the pore size. Up to 30% increase in the integral capacitance can be achieved even at a very low impurity bulk concentration. As a result, by comparing with an ionic liquid mixture containing modified ionic species, we find that the cooperative effect of the bounded impurities is mainly responsible for the significant enhancement of the supercapacitor performance.« less

Optical waveguide device with an adiabatically-varying width

DOEpatents

Watts,; Michael R. , Nielson; Gregory, N [Albuquerque, NM

2011-05-10

Optical waveguide devices are disclosed which utilize an optical waveguide having a waveguide bend therein with a width that varies adiabatically between a minimum value and a maximum value of the width. One or more connecting members can be attached to the waveguide bend near the maximum value of the width thereof to support the waveguide bend or to supply electrical power to an impurity-doped region located within the waveguide bend near the maximum value of the width. The impurity-doped region can form an electrical heater or a semiconductor junction which can be activated with a voltage to provide a variable optical path length in the optical waveguide. The optical waveguide devices can be used to form a tunable interferometer (e.g. a Mach-Zehnder interferometer) which can be used for optical modulation or switching. The optical waveguide devices can also be used to form an optical delay line.

Crystal growth and structure, electrical, and optical characterization of the semiconductor Cu2SnSe3

NASA Astrophysics Data System (ADS)

Marcano, G.; Rincón, C.; de Chalbaud, L. M.; Bracho, D. B.; Pérez, G. Sánchez

2001-08-01

X-ray powder diffraction by p-type Cu2SnSe3, prepared by the vertical Bridgman-Stockbarger technique, shows that this material crystallizes in a monoclinic structure, space group Cc, with unit cell parameters a=6.5936(1) Å, b=12.1593(4) Å, c=6.6084(3) Å, and β=108.56(2)°. The temperature variation of the hole concentration p obtained from the Hall effect and electrical resistivity measurements from about 160 to 300 K, is explained as due to the thermal activation of an acceptor level with an ionization energy of 0.067 eV, whereas below 100 K, the conduction in the impurity band dominates the electrical transport process. From the analysis of the p vs T data, the density-of-states effective mass of the holes is estimated to be nearly of the same magnitude as the free electron mass. In the valence band, the temperature variation of the hole mobility is analyzed by taking into account the scattering of charge carriers by ionized and neutral impurities, and acoustic phonons. In the impurity band, the mobility is explained as due to the thermally activated hopping transport. From the analysis of the optical absorption spectra at room temperature, the fundamental energy gap was determined to be 0.843 eV. The photoconductivity spectra show the presence of a narrow band gap whose main peak is observed at 0.771 eV. This band is attributed to a free-to-bound transition from the defect acceptor level to the conduction band. The origin of this acceptor state, consistent with the chemical composition of the samples and screening effects, is tentatively attributed to selenium interstitials.

Atmospheric-Pressure Chemical Vapor Deposition of Iron Pyrite Thin Films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Berry, Nicholas; Cheng, Ming; Perkins, Craig L.

2012-10-23

Iron pyrite (cubic FeS{sub 2}) is a promising candidate absorber material for earth-abundant thin-film solar cells. In this report, single-phase, large-grain, and uniform polycrystalline pyrite thin films are fabricated on glass and molybdenum-coated glass substrates by atmospheric-pressure chemical vapor deposition (AP-CVD) using the reaction of iron(III) acetylacetonate and tert-butyl disulfide in argon at 300 C, followed by sulfur annealing at 500--550 C to convert marcasite impurities to pyrite. The pyrite-marcasite phase composition depends strongly on the concentration of sodium in the growth substrate and the sulfur partial pressure during annealing. Phase and elemental composition of the films are characterized bymore » X-ray diffraction, Raman spectroscopy, Auger electron spectroscopy, secondary ion mass spectrometry, Rutherford backscattering spectrometry, and X-ray photoelectron spectroscopy. The in-plane electrical properties are surprisingly insensitive to phase and elemental impurities, with all films showing p-type, thermally activated transport with a small activation energy ({approx}30 meV), a room- temperature resistivity of {approx}1 {Omega} cm, and low mobility. These ubiquitous electrical properties may result from robust surface effects. These CVD pyrite thin films are well suited to fundamental electrical studies and the fabrication of pyrite photovoltaic device stacks.« less

Grain size effect on activation energy in spinel CoFe{sub 2}O{sub 4} ceramic

DOE Office of Scientific and Technical Information (OSTI.GOV)

Supriya, Sweety, E-mail: sweety@iitp.ac.in; Kumar, Sunil; Kar, Manoranjan

2016-05-23

Cobalt ferrite of different average crystallites (from nanocrystallite to micro crystallites) has been prepared by the Sol-Gel Method. The X-ray diffraction (XRD) analysis confirms the cubic spinel phase with no trace of impurity phases. The effect of annealing temperature on micro structure and electric transport properties as a function of frequency and temperature has been studied. It is observed that the electric impedance and conductivity are strongly dependent on grain size. The impedance spectroscopic study is employed to understand the electrical transport properties of cobalt ferrite.

Non-extensive entropy and properties of polaron in RbCl delta quantum dot under an applied electric field and Coulombic impurity

NASA Astrophysics Data System (ADS)

Tiotsop, M.; Fotue, A. J.; Fotsin, H. B.; Fai, L. C.

2017-08-01

Bound polaron in RbCl delta quantum dot under electric field and Coulombic impurity were considered. The ground and first excited state energy were derived by employing Pekar variational and unitary transformation methods. Applying Fermi golden rule, the expression of temperature and polaron lifetime were derived. The decoherence was studied trough the Tsallis entropy. Results shows that decreasing (or increasing) the lifetime increases (or decreases) the temperature and delta parameter (electric field strength and hydrogenic impurity). This suggests that to accelerate quantum transition in nanostructure, temperature and delta have to be enhanced. The improvement of electric field and coulomb parameter, increases the lifetime of the delta quantum dot qubit. Energy spectrum of polaron increases with increase in temperature, electric field strength, Coulomb parameter, delta parameter, and polaronic radius. The control of the delta quantum dot energies can be done via the electric field, coulomb impurity, and delta parameter. Results also show that the non-extensive entropy is an oscillatory function of time. With the enhancement of delta parameter, non-extensive parameter, Coulombic parameter, and electric field strength, the entropy has a sinusoidal increase behavior with time. With the study of decoherence through the Tsallis entropy, it may be advised that to have a quantum system with efficient transmission of information, the non-extensive and delta parameters need to be significant. The study of the probability density showed an increase from the boundary to the center of the dot where it has its maximum value and oscillates with period T0 = ℏ / ΔE with the tunneling of the delta parameter, electric field strength, and Coulombic parameter. The results may be very helpful in the transmission of information in nanostructures and control of decoherence

Electrical flicker-noise generated by filling and emptying of impurity states in injectors of quantum-cascade lasers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yamanishi, Masamichi, E-mail: masamiya@crl.hpk.co.jp; Hirohata, Tooru; Hayashi, Syohei

2014-11-14

Free running line-widths (>100 kHz), much broader than intrinsic line-widths ∼100 Hz, of existing quantum-cascade lasers are governed by strong flicker frequency-noise originating from electrical flicker noise. Understanding of microscopic origins of the electrical flicker noises in quantum-cascade lasers is crucially important for the reduction of strength of flicker frequency-noise without assistances of any type of feedback schemes. In this article, an ad hoc model that is based on fluctuating charge-dipoles induced by electron trappings and de-trappings at indispensable impurity states in injector super-lattices of a quantum-cascade laser is proposed, developing theoretical framework based on the model. The validity of the presentmore » model is evaluated by comparing theoretical voltage-noise power spectral densities based on the model with experimental ones obtained by using mid-infrared quantum-cascade lasers with designed impurity-positioning. The obtained experimental results on flicker noises, in comparison with the theoretical ones, shed light on physical mechanisms, such as the inherent one due to impurity states in their injectors and extrinsic ones due to surface states on the ridge-walls and due to residual deep traps, for electrical flicker-noise generation in existing mid-infrared quantum-cascade lasers. It is shown theoretically that quasi-delta doping of impurities in their injectors leads to strong suppression of electrical flicker noise by minimization of the dipole length at a certain temperature, for instance ∼300 K and, in turn, is expected to result in substantial narrowing of the free running line-width down below 10 kHz.« less

Moderation of neoclassical impurity accumulation in high temperature plasmas of helical devices

NASA Astrophysics Data System (ADS)

Velasco, J. L.; Calvo, I.; Satake, S.; Alonso, A.; Nunami, M.; Yokoyama, M.; Sato, M.; Estrada, T.; Fontdecaba, J. M.; Liniers, M.; McCarthy, K. J.; Medina, F.; Van Milligen, B. Ph; Ochando, M.; Parra, F.; Sugama, H.; Zhezhera, A.; The LHD Experimental Team; The TJ-II Team

2017-01-01

Achieving impurity and helium ash control is a crucial issue in the path towards fusion-grade magnetic confinement devices, and this is particularly the case of helical reactors, whose low-collisionality ion-root operation scenarios usually display a negative radial electric field which is expected to cause inwards impurity pinch. In this work we discuss, based on experimental measurements and standard predictions of neoclassical theory, how plasmas of very low ion collisionality, similar to those observed in the impurity hole of the large helical device (Yoshinuma et al and The LHD Experimental Group 2009 Nucl. Fusion 49 062002, Ida et al and The LHD Experimental Group 2009 Phys. Plasmas 16 056111 and Yokoyama et al and LHD Experimental Group 2002 Nucl. Fusion 42 143), can be an exception to this general rule, and how a negative radial electric field can coexist with an outward impurity flux. This interpretation is supported by comparison with documented discharges available in the International Stellarator-Heliotron Profile Database, and it can be extrapolated to show that achievement of high ion temperature in the core of helical devices is not fundamentally incompatible with low core impurity content.

Cd in SnO: Probing structural effects on the electronic structure of doped oxide semiconductors through the electric field gradient at the Cd nucleus

NASA Astrophysics Data System (ADS)

Errico, Leonardo A.; Rentería, Mario; Petrilli, Helena M.

2007-04-01

We perform an ab initio study of the electric field gradient (EFG) at the nucleus of Cd impurities at substitutional Sn sites in crystalline SnO. The full-potential linearized-augmented plane wave and the projector augmented wave methods used here allow us to treat the electronic structure of the doped system and the atomic relaxations introduced by the impurities in the host in a fully self-consistent way using a supercell approach in a state-of-the-art way. Effects of the impurity charge state on the electronic and structural properties are also discussed. Since the EFG is a very subtle quantity, its determination is very useful to probe ground-state properties such as the charge density. We show that the EFG is very sensitive to structural relaxations induced by the impurity. Our theoretical predictions are compared with available experimental results.

Optical coefficients in a semiconductor quantum ring: Electric field and donor impurity effects

NASA Astrophysics Data System (ADS)

Duque, C. M.; Acosta, Ruben E.; Morales, A. L.; Mora-Ramos, M. E.; Restrepo, R. L.; Ojeda, J. H.; Kasapoglu, E.; Duque, C. A.

2016-10-01

The electron states in a two-dimensional quantum dot ring are calculated in the presence of a donor impurity atom under the effective mass and parabolic band approximations. The effect of an externally applied electric field is also taken into account. The wavefunctions are obtained via the exact diagonalization of the problem Hamiltonian using a 2D expansion within the adiabatic approximation. The impurity-related optical response is analyzed via the optical absorption, relative refractive index change and the second harmonics generation. The dependencies of the electron states and these optical coefficients with the changes in the configuration of the quantum ring system are discussed in detail.

A Quasi-Classical Model of the Hubbard Gap in Lightly Compensated Semiconductors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Poklonski, N. A.; Vyrko, S. A.; Kovalev, A. I.

2016-03-15

A quasi-classical method for calculating the narrowing of the Hubbard gap between the A{sup 0} and A{sup +} acceptor bands in a hole semiconductor or the D{sup 0} and D{sup –} donor bands in an electron semiconductor is suggested. This narrowing gives rise to the phenomenon of a semiconductor transition from the insulator to metal state with an increase in doping level. The major (doping) impurity can be in one of three charge states (–1, 0, or +1), while the compensating impurity can be in states (+1) or (–1). The impurity distribution over the crystal is assumed to be randommore » and the width of Hubbard bands (levels), to be much smaller than the gap between them. It is shown that narrowing of the Hubbard gap is due to the formation of electrically neutral acceptor (donor) states of the quasicontinuous band of allowed energies for holes (electrons) from excited states. This quasicontinuous band merges with the top of the valence band (v band) for acceptors or with the bottom of the conduction band (c band) for donors. In other words, the top of the v band for a p-type semiconductor or the bottom of the c band for an n-type semiconductor is shifted into the band gap. The value of this shift is determined by the maximum radius of the Bohr orbit of the excited state of an electrically neutral major impurity atom, which is no larger than half the average distance between nearest impurity atoms. As a result of the increasing dopant concentration, the both Hubbard energy levels become shallower and the gap between them narrows. Analytical formulas are derived to describe the thermally activated hopping transition of holes (electrons) between Hubbard bands. The calculated gap narrowing with increasing doping level, which manifests itself in a reduction in the activation energy ε{sub 2} is consistent with available experimental data for lightly compensated p-Si crystals doped with boron and n-Ge crystals doped with antimony.« less

Analysis of effects of impurities intentionally incorporated into silicon

NASA Technical Reports Server (NTRS)

Uno, F.

1977-01-01

A methodology was developed and implemented to allow silicon samples containing intentionally incorporated impurities to be fabricated into finished solar cells under carefully controlled conditions. The electrical and spectral properties were then measured for each group processed.

Electron and donor-impurity-related Raman scattering and Raman gain in triangular quantum dots under an applied electric field

NASA Astrophysics Data System (ADS)

Tiutiunnyk, Anton; Akimov, Volodymyr; Tulupenko, Viktor; Mora-Ramos, Miguel E.; Kasapoglu, Esin; Morales, Alvaro L.; Duque, Carlos Alberto

2016-04-01

The differential cross-section of electron Raman scattering and the Raman gain are calculated and analysed in the case of prismatic quantum dots with equilateral triangle base shape. The study takes into account their dependencies on the size of the triangle, the influence of externally applied electric field as well as the presence of an ionized donor center located at the triangle's orthocenter. The calculations are made within the effective mass and parabolic band approximations, with a diagonalization scheme being applied to obtain the eigenfunctions and eigenvalues of the x- y Hamiltonian. The incident and secondary (scattered) radiation have been considered linearly-polarized along the y-direction, coinciding with the direction of the applied electric field. For the case with an impurity center, Raman scattering with the intermediate state energy below the initial state one has been found to show maximum differential cross-section more than by an order of magnitude bigger than that resulting from the scheme with lower intermediate state energy. The Raman gain has maximum magnitude around 35 nm dot size and electric field of 40 kV/cm for the case without impurity and at maximum considered values of the input parameters for the case with impurity. Values of Raman gain of the order of up to 104cm-1 are predicted in both cases.

Origin and roles of oxygen impurities in hexagonal boron nitride epilayers

NASA Astrophysics Data System (ADS)

Grenadier, S. J.; Maity, A.; Li, J.; Lin, J. Y.; Jiang, H. X.

2018-04-01

Photoluminescence emission spectroscopy and electrical transport measurements have been employed to study the origin and roles of oxygen impurities in hexagonal boron nitride (h-BN) epilayers grown on sapphire substrates. The temperature dependence of the electrical resistivity revealed the presence of a previously unnoticed impurity level of about 0.6 eV in h-BN epilayers grown at high temperatures. The results suggested that in addition to the common nitrogen vacancy (VN) shallow donors in h-BN, oxygen impurities diffused from sapphire substrates during high temperature growth also act as substitutional donors (ON). The presence of ON gives rise to an additional emission peak in the photoluminescence spectrum, corresponding to a donor-acceptor pair recombination involving the ON donor and the CN (carbon occupying nitrogen site) deep level acceptor. Moreover, due to the presence of ON donors, the majority charge carrier type changed to electrons in epilayers grown at high temperatures, in contrast to typical h-BN epilayers which naturally exhibit "p-type" character. The results provided a more coherent picture for common impurities/defects in h-BN as well as a better understanding of the growth mediated impurities in h-BN epilayers, which will be helpful for finding possible ways to further improve the quality and purity of this emerging material.

Impurities in a non-axisymmetric plasma. Transport and effect on bootstrap current

DOE PAGES

Mollén, A.; Landreman, M.; Smith, H. M.; ...

2015-11-20

Impurities cause radiation losses and plasma dilution, and in stellarator plasmas the neoclassical ambipolar radial electric field is often unfavorable for avoiding strong impurity peaking. In this work we use a new continuum drift-kinetic solver, the SFINCS code (the Stellarator Fokker-Planck Iterative Neoclassical Conservative Solver) [M. Landreman et al., Phys. Plasmas 21 (2014) 042503] which employs the full linearized Fokker-Planck-Landau operator, to calculate neoclassical impurity transport coefficients for a Wendelstein 7-X (W7-X) magnetic configuration. We compare SFINCS calculations with theoretical asymptotes in the high collisionality limit. We observe and explain a 1/nu-scaling of the inter-species radial transport coefficient at lowmore » collisionality, arising due to the field term in the inter-species collision operator, and which is not found with simplified collision models even when momentum correction is applied. However, this type of scaling disappears if a radial electric field is present. We use SFINCS to analyze how the impurity content affects the neoclassical impurity dynamics and the bootstrap current. We show that a change in plasma effective charge Z eff of order unity can affect the bootstrap current enough to cause a deviation in the divertor strike point locations.« less

Electrical Deflection of Polar Liquid Streams: A Misunderstood Demonstration

NASA Astrophysics Data System (ADS)

Ziaei-Moayyed, Maryam; Goodman, Edward; Williams, Peter

2000-11-01

The electrical deflection of polar liquid streams, commonly used as a textbook illustration of the behavior of polar molecules, is shown to be due to the formation of electrically charged droplets in the polar liquid stream, induced by a nearby charged object, rather than any force exerted on molecular dipoles. Streams of water and polar organic liquids could be deflected in a uniform electric field, which could not have exerted any force on dipolar species. Water and polar organic liquid streams formed within a grounded, electrically screened region could not be deflected after exiting the screened region, demonstrating that there is no electrical force on uncharged polar liquid droplets. Induced charging was observed also in insulating polar organic liquids and is suggested to be due to ionic impurities. A weak deflection of a stream of a nonpolar liquid (tetrachloroethylene) was also observed, indicating that such impurity effects are quite general, even in nonpolar liquids.

The ab initio Calculation of Electric Field Gradient at the Site of P Impurity in α-Al3O2

NASA Astrophysics Data System (ADS)

Zhang, Qiao-Li; Yuan, Da-Qing; Zhang, Huan-Qiao; Fan, Ping; Zuo, Yi; Zheng, Yong-Nan; Masuta, K.; Fukuda, M.; Mihara, M.; Minamisono, T.; Kitagawa, A.; Zhu, Sheng-Yun

2012-09-01

An ab initio calculation of the electric-field gradient (EFG) at the site of a phosphorous impurity substituting an Al atom in α-Al2O3 is carried out using the WIEN2k code with the full-potential linearized augmented plane wave plus local orbital method (LAPW+lo) in the frame of density functional theory. The atomic lattice relaxations caused by the implanted impurities were calculated for two different charged states to well describe the electronic structure of the doped system. The EFG at the site of the phosphorous impurity in the charged supercell calculated with the exchange-correlation potential of the Wu-Cohen generalized gradient approximation (WC-GGA) is 0.573 × 1021 V/m2. Then, the nuclear quadrupole moment of the I = 3 state in 28P is deduced to be 137 mb from the quadrupole interaction frequency of 190 kHz measured recently by the β-NQR method.

The effects of a geometrical size, external electric fields and impurity on the optical gain of a quantum dot laser with a semi-parabolic spherical well potential

NASA Astrophysics Data System (ADS)

Owji, Erfan; Keshavarz, Alireza; Mokhtari, Hosein

2017-03-01

In this paper, a GaAs / Alx Ga1-x As quantum dot laser with a semi-parabolic spherical well potential is assumed. By using Runge-Kutta method the eigenenergies and the eigenstates of valence and conduct bands are obtained. The effects of geometrical sizes, external electric fields and hydrogen impurity on the different electronic transitions of the optical gain are studied. The results show that the optical gain peak increases and red-shifts, by increasing the width of well or barrier, while more increasing of the width causes blue-shift and decreases it. The hydrogen impurity decreases the optical gain peak and blue-shifts it. Also, the increasing of the external electric fields cause to increase the peak of the optical gain, and (blue) red shift it. Finally, the optical gain for 1s-1s and 2s-1s transitions is prominent, while it is so weak for other transitions.

Electrical resistivity and thermal conductivity of hcp Fe-Ni alloys under high pressure: Implications for thermal convection in the Earth's core

NASA Astrophysics Data System (ADS)

Gomi, Hitoshi; Hirose, Kei

2015-10-01

We measured the electrical resistivity of Fe-Ni alloys (iron with 5, 10, and 15 wt.% nickel) using four-terminal method in a diamond-anvil cell up to 70 GPa at 300 K. The results demonstrate that measured resistivity increases linearly with increasing nickel impurity concentration, as predicted by the Matthiessen's rule. The impurity resistivity is predominant at ambient temperature; the incorporation of 5 wt.% nickel into iron doubles the electrical resistivity at 60 GPa. Such impurity effect becomes minor at high temperature of the Earth's core because of the resistivity "saturation". We also calculated that >0.9 TW heat flow is necessary at the top of the inner core for thermal convection in the inner core. It requires the CMB heat flow of ∼30 TW, which is much higher than recent estimates of 5-15 TW. This means that purely thermal convection does not occur in the inner core.

Electronic properties of BN-doped bilayer graphene and graphyne in the presence of electric field

NASA Astrophysics Data System (ADS)

Majidi, R.; Karami, A. R.

2013-11-01

In the present paper, we have used density functional theory to study electronic properties of bilayer graphene and graphyne doped with B and N impurities in the presence of electric field. It has been demonstrated that a band gap is opened in the band structures of the bilayer graphene and graphyne by B and N doping. We have also investigated influence of electric field on the electronic properties of BN-doped bilayer graphene and graphyne. It is found that the band gaps induced by B and N impurities are increased by applying electric field. Our results reveal that doping with B and N, and applying electric field are an effective method to open and control a band gap which is useful to design carbon-based next-generation electronic devices.

METHOD FOR THE PREPARATION OF BINARY NITROGEN-FLUORINE COMPOUNDS

DOEpatents

Frazer, J.W.

1962-05-01

A process is given for preparing binary nitrogenfluorine compounds, in particular, tetrafluorohydrazine (N/sub 2/F/sub 4/) and difluorodiazine (N/sub 2/ F/sub 2/), The process comprises subjecting gaseous nitrogen trifluoride to the action of an alternating current electrical glow discharge in the presence of mercury vapors. By the action of the electrical discharge, the nitrogen trifluoride is converted into a gaseous product comprising a mixture of tetrafluorohydrazine, the isomers of difluorodiazine, and other impurities including nitrogen, nitrogen oxides, silicon tetrafiuoride, and unreacted nitrogen trifluoride. The gaseous products and impurities are passed into a trap maintained at about - 196 deg C to freeze out the desired products and impurities with the exception of nitregen gas which passes off from the trap and is discarded. Subsequently, the desired products and remaining impurities are warmed to the gaseous state and passed through a silica gel trap maintained at about - 55DEC, wherein the desired tetrafluorohydrazine and difluorodiazine products are retained while the remaining gaseous impurities pass therethrough. The desired products are volatilized from the silica gel trap by heating and then separated by gas chrounatography means into the respective tetrafluorohydrazine and difluorodiazine products. (A.e.C)

The role of acids in electrical conduction through ice

NASA Astrophysics Data System (ADS)

Stillman, David E.; MacGregor, Joseph A.; Grimm, Robert E.

2013-03-01

Electrical conduction through meteoric polar ice is controlled by soluble impurities that originate mostly from sea salt, biomass burning, and volcanic eruptions. The strongest conductivity response is to acids, yet the mechanism causing this response has been unclear. Here we elucidate conduction mechanisms in ice using broadband dielectric spectroscopy of meteoric polar ice cores. We find that conduction through polycrystalline polar ice is consistent with Jaccard theory for migration of charged protonic point defects through single ice crystals, except that bulk DC conduction is impeded by grain boundaries. Neither our observations nor modeling using Archie's Law support the hypothesis that grain-boundary networks of unfrozen acids cause significant electrolytic conduction. Common electrical logs of ice cores (by electrical conductivity measurement [ECM] or dielectric profiling [DEP]) and the attenuation of radio waves in ice sheets thus respond to protonic point defects only. This response implies that joint interpretation of electrical and chemical logs can determine impurity partitioning between the lattice and grain boundaries or inclusions. For example, in the Greenland Ice Core Project (GRIP) ice core from central Greenland, on average more than half of the available lattice-soluble impurities (H+, Cl-, NH4+) create defects. Understanding this partitioning could help further resolve the nature of past changes in atmospheric chemistry.

Contact formation and gettering of precipitated impurities by multiple firing during semiconductor device fabrication

DOEpatents

Sopori, Bhushan

2014-05-27

Methods for contact formation and gettering of precipitated impurities by multiple firing during semiconductor device fabrication are provided. In one embodiment, a method for fabricating an electrical semiconductor device comprises: a first step that includes gettering of impurities from a semiconductor wafer and forming a backsurface field; and a second step that includes forming a front contact for the semiconductor wafer, wherein the second step is performed after completion of the first step.

Donor impurity-related linear and nonlinear intraband optical absorption coefficients in quantum ring: effects of applied electric field and hydrostatic pressure

PubMed Central

2012-01-01

The linear and nonlinear intraband optical absorption coefficients in GaAs three-dimensional single quantum rings are investigated. Taking into account the combined effects of hydrostatic pressure and electric field, applied along the growth direction of the heterostructure, the energies of the ground and first excited states of a donor impurity have been found using the effective mass approximation and a variational method. The energies of these states are examined as functions of the dimensions of the structure, electric field, and hydrostatic pressure. We have also investigated the dependencies of the linear, nonlinear, and total optical absorption coefficients as a function of incident photon energy for several configurations of the system. It is found that the variation of distinct sizes of the structure leads to either a redshift and/or a blueshift of the resonant peaks of the intraband optical spectrum. In addition, we have found that the application of an electric field leads to a redshift, whereas the influence of hydrostatic pressure leads to a blueshift (in the case of on-ring-center donor impurity position) of the resonant peaks of the intraband optical spectrum. PMID:23021497

Present state of boron-carbon thermoelectric materials

NASA Technical Reports Server (NTRS)

Elsner, N. B.; Reynolds, G. H.

1983-01-01

Boron-carbon p-type thermoelectric materials show promise for use in advanced thermal-to-electric space power conversion systems. Here, recent data on the thermoelectric properties of boron-carbon materials, such as B9C, B13C2, B15C2, and B4C, are reviewed. In particular, attention is given to the effect of the compositional homogeneity and residual impurity content on the Seeback coefficient, electrical resistivity, and thermal conductivity of these materials. The effect of carbon content for a given level of impurity and degree of homogeneity is also discussed.

The thermoelectric properties of bulk crystalline n- and p-type Mg2Si prepared by the vertical Bridgman method

NASA Astrophysics Data System (ADS)

Akasaka, Masayasu; Iida, Tsutomu; Matsumoto, Atsunobu; Yamanaka, Kohei; Takanashi, Yoshifumi; Imai, Tomohiro; Hamada, Noriaki

2008-07-01

Bulk Mg2Si crystals were grown using the vertical Bridgman melt growth method. The n-type and p-type dopants, bismuth (Bi) and silver (Ag), respectively, were incorporated during the growth. X-ray powder diffraction analysis revealed clear peaks of Mg2Si with no peaks associated with the metallic Mg and Si phases. Residual impurities and process induced contaminants were investigated by using glow discharge mass spectrometry (GDMS). A comparison between the results of GDMS and Hall effect measurements indicated that electrical activation of the Bi doping in the Mg2Si was sufficient, while activation of the Ag doping was relatively smaller. It was shown that an undoped n-type specimen contained a certain amount of aluminum (Al), which was due either to residual impurities in the Mg source or the incorporation of process-induced impurities. Thermoelectric properties such as the Seebeck coefficient and the electrical and thermal conductivities were measured as a function of temperature up to 850 K. The dimensionless figures of merit for Bi-doped and Ag-doped samples were 0.65 at 840 K and 0.1 at 566 K, respectively. Temperature dependence of the observed Seebeck coefficient was fitted well by the two-carrier model. The first-principles calculations were carried out by using the all-electron band-structure calculation package (ABCAP) in which the full-potential linearized augmented-plane-wave method was employed. The ABCAP calculation adequately presents characteristics of the Seebeck coefficients for the undoped and heavily Bi-doped samples over the whole measured temperature range from room temperature to 850 K. The agreement between the theory and the experiment is poorer for the Ag-doped p-type samples.

Magnetic moment in single crystalline BaFe2-xZnxAs2

NASA Astrophysics Data System (ADS)

Guo, Yanfeng; Wang, Xia; Li, Jun; Yamaura, Kazunari; Takayama-Muromachi, Eiji

2012-02-01

Nature of the magnetism for iron-based superconductors (FeSCs) has been actively studied since the discovery of this new family of compounds in 2008, largely owing to its significance for interpreting the paring mechanism. The approach through impurity substitution to shed light into this issue is always one of major ways. The substitution shows distinct responses to species of impurities, where partially replacement of Fe in parent FeSCs with a variety of d-metals like Co, Ni Ru, Rh, Pd, Ir, and Pt generally results in superconductivity, while recent progress in Zn doped FeSCs gives rather contrary result, where Zn severely degenerates the TC. Herein we show the magnetic and electrical studies on BaFe2-xZnxAs2 single crystals. Nonmagnetic Zn doping progressively suppresses the SDW without resulting in superconductivity, while it alternatively develops the spin-glass state, possibly suggestive of local magnetic moment around the Fe sites induced by Zn. The characterizations by X-ray diffraction, magnetic and electrical transport properties, specific heat capacity, and Hall coefficient have been done and the results will be discussed in detail.

Powder metallurgy of Ge, Si, and Ge-Si

NASA Astrophysics Data System (ADS)

Schilz, Jürgen; Langenbach, Marion

1993-03-01

id="ab1"Planetary ball-milling and pressing behaviour of Ge, Si and Ge-Si powder mixtures are investigated. Scanning and transmission electron microscopy observations revealed the different microstructure of the two elements after milling: Ge remains in a microcrystalline state, whereas Si can be comminuted into grains consisting of nanocrystalline regions. Planetary milling of the two elements together, using agate balls and vial, did not reveal any compound formation. By hot-isostatic pressing, pure Ge and Ge-Si mixtures were densified to a higher value than pure Si. This denotes a plastic flow of the Ge component at a process temperature of 800°C. The microhardness of hot-pressed Ge reaches the bulk value; hot-pressed Si is very soft. Energy dispersive X-ray analysis and X-ray diffraction did not detect any impurity contamination from vial and milling media wear. Moreover, by electrical transport measurements it turned out that the net carrier concentration density resulting from electrical active impurities introduced by the milling and pressing process is below 2 x 1016 cm 3 at room temperature.

Photoreflectance measurements of unintentional impurity concentrations in undoped GaAs

NASA Astrophysics Data System (ADS)

Sydor, Michael; Angelo, James; Mitchel, William; Haas, T. W.; Yen, Ming-Yuan

1989-07-01

Modulated photoreflectance is used to measure the unintentional impurity concentrations in undoped epitaxial GaAs. A photoreflectance signal above the band gap spreads with the unintentional impurity concentrations and shows well-defined Franz-Keldysh peaks whose separation provide a good measure of the current carrier concentrations. In samples less than 3-micron thick, a photoreflectance signal at the band edge contains a substrate-epilayer interface effect which precludes the analysis of the data by using the customary third derivative functional fits for low electric fields.

Impurity Effects on Charging Mechanism and Energy Storage of Nanoporous Supercapacitors

DOE PAGES

Lian, Cheng; Liu, Kun; Liu, Honglai; ...

2017-06-08

Room-temperature ionic liquids (RTILs) have been widely used as electrolytes to enhance the capacitive performance of electrochemical capacitors also known as supercapacitors. Whereas impurities are ubiquitous in RTILs (e.g., water, alkali salts, and organic solvents), little is known about their influences on the electrochemical behavior of electrochemical devices. In this work, we investigate different impurities in RTILs within the micropores of carbon electrodes via the classical density functional theory (CDFT). We find that under certain conditions impurities can significantly change the charging behavior of electric double layers and the shape of differential capacitance curves even at very low concentrations. Moremore » interestingly, an impurity with a strong affinity to the nanopore can increase the energy density beyond a critical charging potential. As a result, our theoretical predictions provide further understanding of how impurity in RTILs affects the performance of supercapacitors.« less

Impurity transport and bulk ion flow in a mixed collisionality stellarator plasma

NASA Astrophysics Data System (ADS)

Newton, S. L.; Helander, P.; Mollén, A.; Smith, H. M.

2017-10-01

The accumulation of impurities in the core of magnetically confined plasmas, resulting from standard collisional transport mechanisms, is a known threat to their performance as fusion energy sources. Whilst the axisymmetric tokamak systems have been shown to benefit from the effect of temperature screening, that is an outward flux of impurities driven by the temperature gradient, impurity accumulation in stellarators was thought to be inevitable, driven robustly by the inward pointing electric field characteristic of hot fusion plasmas. We have shown in Helander et al. (Phys. Rev. Lett., vol. 118, 2017a, 155002) that such screening can in principle also appear in stellarators, in the experimentally relevant mixed collisionality regime, where a highly collisional impurity species is present in a low collisionality bulk plasma. Details of the analytic calculation are presented here, along with the effect of the impurity on the bulk ion flow, which will ultimately affect the bulk contribution to the bootstrap current.

Calculations of neoclassical impurity transport in stellarators

NASA Astrophysics Data System (ADS)

Mollén, Albert; Smith, Håkan M.; Langenberg, Andreas; Turkin, Yuriy; Beidler, Craig D.; Helander, Per; Landreman, Matt; Newton, Sarah L.; García-Regaña, José M.; Nunami, Masanori

2017-10-01

The new stellarator Wendelstein 7-X has finished the first operational campaign and is restarting operation in the summer 2017. To demonstrate that the stellarator concept is a viable candidate for a fusion reactor and to allow for long pulse lengths of 30 min, i.e. ``quasi-stationary'' operation, it will be important to avoid central impurity accumulation typically governed by the radial neoclassical transport. The SFINCS code has been developed to calculate neoclassical quantities such as the radial collisional transport and the ambipolar radial electric field in 3D magnetic configurations. SFINCS is a cutting-edge numerical tool which combines several important features: the ability to model an arbitrary number of kinetic plasma species, the full linearized Fokker-Planck collision operator for all species, and the ability to calculate and account for the variation of the electrostatic potential on flux surfaces. In the present work we use SFINCS to study neoclassical impurity transport in stellarators. We explore how flux-surface potential variations affect the radial particle transport, and how the radial electric field is modified by non-trace impurities and flux-surface potential variations.

Influence of image charge effect on impurity-related optical absorption coefficients and refractive index changes in a spherical quantum dot

NASA Astrophysics Data System (ADS)

Vartanian, A. L.; Asatryan, A. L.; Vardanyan, L. A.

2017-03-01

We have investigated the influence of an image charge effect (ICE) on the energies of the ground and first few excited states of a hydrogen-like impurity in a spherical quantum dot (QD) in the presence of an external electric field. The oscillator strengths of transitions from the 1 s -like state to excited states of 2px and 2pz symmetries are calculated as the functions of the strengths of the confinement potential and the electric field. Also, we have studied the effect of image charges on linear and third-order nonlinear optical absorption coefficients and refractive index changes (RICs). The results show that image charges lead to the decrease of energies for all the hydrogen-like states, to the significant enhancement of the oscillator strengths of transitions between the impurity states, and to comparatively large blue shifts in linear, nonlinear, and total absorption coefficients and refractive index changes. Our results indicate that the total optical characteristics can be controlled by the strength of the confinement and the electric field.

Enhanced spin Hall ratios by Al and Hf impurities in Pt thin films

NASA Astrophysics Data System (ADS)

Nguyen, Minh-Hai; Zhao, Mengnan; Ralph, Daniel C.; Buhrman, Robert A.

The spin Hall effect (SHE) in Pt has been reported to be strong and hence promising for spintronic applications. In the intrinsic SHE mechanism, which has been shown to be dominant in Pt, the spin Hall conductivity σSH is constant, dependent only on the band structure of the spin Hall material. The spin Hall ratio θSH =σSH . ρ , on the other hand, should be proportional to the electrical resistivity ρ of the spin Hall layer. This suggests the possibility of enhancing the spin Hall ratio by introducing additional diffusive scattering to increase the electrical resistivity of the spin Hall layer. Our previous work has shown that this could be done by increasing the surface scattering by growing thinner Pt films in contact with higher resistivity materials such as Ta. In this talk, we discuss another approach: to introduce impurities of metals with negligible spin orbit torque into the Pt film. Our PtAl and PtHf alloy samples exhibit strong enhancement of the spin Hall torque efficiency with impurity concentration due to increased electrical resistivity. Supported in part by Samsung Electronics.

High-Temperature Electrical Insulation Behavior of Alumina Films Prepared at Room Temperature by Aerosol Deposition and Influence of Annealing Process and Powder Impurities

NASA Astrophysics Data System (ADS)

Schubert, Michael; Leupold, Nico; Exner, Jörg; Kita, Jaroslaw; Moos, Ralf

2018-04-01

Alumina (Al2O3) is a widely used material for highly insulating films due to its very low electrical conductivity, even at high temperatures. Typically, alumina films have to be sintered far above 1200 °C, which precludes the coating of lower melting substrates. The aerosol deposition method (ADM), however, is a promising method to manufacture ceramic films at room temperature directly from the ceramic raw powder. In this work, alumina films were deposited by ADM on a three-electrode setup with guard ring and the electrical conductivity was measured between 400 and 900 °C by direct current measurements according to ASTM D257 or IEC 60093. The effects of film annealing and of zirconia impurities in the powder on the electrical conductivity were investigated. The conductivity values of the ADM films correlate well with literature data and can even be improved by annealing at 900 °C from 4.5 × 10-12 S/cm before annealing up to 5.6 × 10-13 S/cm after annealing (measured at 400 °C). The influence of zirconia impurities is very low as the conductivity is only slightly elevated. The ADM-processed films show a very good insulation behavior represented by an even lower electrical conductivity than conventional alumina substrates as they are commercially available for thick-film technology.

Formation and Diffusion of Metal Impurities in Perovskite Solar Cell Material CH 3NH 3PbI 3 : Implications on Solar Cell Degradation and Choice of Electrode

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ming, Wenmei; Yang, Dongwen; Li, Tianshu

Solar cells based on methylammonium lead triiodide (MAPbI 3) have shown remarkable progress in recent years and have demonstrated efficiencies greater than 20%. However, the long-term stability of MAPbI 3-based solar cells has yet to be achieved. Besides the well-known chemical and thermal instabilities, significant native ion migration in lead halide perovskites leads to current–voltage hysteresis and photoinduced phase segregation. Recently, it is further revealed that, despite having excellent chemical stability, the Au electrode can cause serious solar cell degradation due to Au diffusion into MAPbI 3. In addition to Au, many other metals have been used as electrodes inmore » MAPbI 3 solar cells. However, how the external metal impurities introduced by electrodes affect the long-term stability of MAPbI 3 solar cells has rarely been studied. A comprehensive study of formation energetics and diffusion dynamics of a number of noble and transition metal impurities (Au, Ag, Cu, Cr, Mo, W, Co, Ni, Pd) in MAPbI 3 based on first-principles calculations is reported herein. The results uncover important general trends of impurity formation and diffusion in MAPbI 3 and provide useful guidance for identifying the optimal metal electrodes that do not introduce electrically active impurity defects in MAPbI 3 while having low resistivities and suitable work functions for carrier extraction.« less

Formation and Diffusion of Metal Impurities in Perovskite Solar Cell Material CH3NH3PbI3: Implications on Solar Cell Degradation and Choice of Electrode.

PubMed

Ming, Wenmei; Yang, Dongwen; Li, Tianshu; Zhang, Lijun; Du, Mao-Hua

2018-02-01

Solar cells based on methylammonium lead triiodide (MAPbI 3 ) have shown remarkable progress in recent years and have demonstrated efficiencies greater than 20%. However, the long-term stability of MAPbI 3 -based solar cells has yet to be achieved. Besides the well-known chemical and thermal instabilities, significant native ion migration in lead halide perovskites leads to current-voltage hysteresis and photoinduced phase segregation. Recently, it is further revealed that, despite having excellent chemical stability, the Au electrode can cause serious solar cell degradation due to Au diffusion into MAPbI 3 . In addition to Au, many other metals have been used as electrodes in MAPbI 3 solar cells. However, how the external metal impurities introduced by electrodes affect the long-term stability of MAPbI 3 solar cells has rarely been studied. A comprehensive study of formation energetics and diffusion dynamics of a number of noble and transition metal impurities (Au, Ag, Cu, Cr, Mo, W, Co, Ni, Pd) in MAPbI 3 based on first-principles calculations is reported herein. The results uncover important general trends of impurity formation and diffusion in MAPbI 3 and provide useful guidance for identifying the optimal metal electrodes that do not introduce electrically active impurity defects in MAPbI 3 while having low resistivities and suitable work functions for carrier extraction.

Formation and Diffusion of Metal Impurities in Perovskite Solar Cell Material CH 3NH 3PbI 3 : Implications on Solar Cell Degradation and Choice of Electrode

DOE PAGES

Ming, Wenmei; Yang, Dongwen; Li, Tianshu; ...

2017-12-27

Solar cells based on methylammonium lead triiodide (MAPbI 3) have shown remarkable progress in recent years and have demonstrated efficiencies greater than 20%. However, the long-term stability of MAPbI 3-based solar cells has yet to be achieved. Besides the well-known chemical and thermal instabilities, significant native ion migration in lead halide perovskites leads to current–voltage hysteresis and photoinduced phase segregation. Recently, it is further revealed that, despite having excellent chemical stability, the Au electrode can cause serious solar cell degradation due to Au diffusion into MAPbI 3. In addition to Au, many other metals have been used as electrodes inmore » MAPbI 3 solar cells. However, how the external metal impurities introduced by electrodes affect the long-term stability of MAPbI 3 solar cells has rarely been studied. A comprehensive study of formation energetics and diffusion dynamics of a number of noble and transition metal impurities (Au, Ag, Cu, Cr, Mo, W, Co, Ni, Pd) in MAPbI 3 based on first-principles calculations is reported herein. The results uncover important general trends of impurity formation and diffusion in MAPbI 3 and provide useful guidance for identifying the optimal metal electrodes that do not introduce electrically active impurity defects in MAPbI 3 while having low resistivities and suitable work functions for carrier extraction.« less

Formation and Diffusion of Metal Impurities in Perovskite Solar Cell Material CH3NH3PbI3: Implications on Solar Cell Degradation and Choice of Electrode

PubMed Central

Ming, Wenmei; Yang, Dongwen; Li, Tianshu

2017-01-01

Abstract Solar cells based on methylammonium lead triiodide (MAPbI3) have shown remarkable progress in recent years and have demonstrated efficiencies greater than 20%. However, the long‐term stability of MAPbI3‐based solar cells has yet to be achieved. Besides the well‐known chemical and thermal instabilities, significant native ion migration in lead halide perovskites leads to current–voltage hysteresis and photoinduced phase segregation. Recently, it is further revealed that, despite having excellent chemical stability, the Au electrode can cause serious solar cell degradation due to Au diffusion into MAPbI3. In addition to Au, many other metals have been used as electrodes in MAPbI3 solar cells. However, how the external metal impurities introduced by electrodes affect the long‐term stability of MAPbI3 solar cells has rarely been studied. A comprehensive study of formation energetics and diffusion dynamics of a number of noble and transition metal impurities (Au, Ag, Cu, Cr, Mo, W, Co, Ni, Pd) in MAPbI3 based on first‐principles calculations is reported herein. The results uncover important general trends of impurity formation and diffusion in MAPbI3 and provide useful guidance for identifying the optimal metal electrodes that do not introduce electrically active impurity defects in MAPbI3 while having low resistivities and suitable work functions for carrier extraction. PMID:29610728

Proceedings of the International Symposium on the Structure and Properties of Dislocations in Semiconductors (6th) held in Oxford (England) 5-8 April 1989: Structure and Properties of Dislocations in Semiconductors 1989

DTIC Science & Technology

1989-04-08

now good experimental data on the effects of impurities, including locking by non-electrical xii Preface impurities, and the effect of electrically... locks which result from the interaction of the gliding dislocations. As a matter of fact, these dislocation configurations look similar to those...loop on the go° partial. Structure of grain boundaries and dislocations 3 2.2. Lomer-Cottrell lock : a/2>. Two 60’ dislocations can react and give

Comment on "Impurity spectra of graphene under electric and magnetic fields"

NASA Astrophysics Data System (ADS)

Van Pottelberge, R.; Zarenia, M.; Peeters, F. M.

2018-05-01

In a recent paper [Phys. Rev. B 89, 155403 (2014), 10.1103/PhysRevB.89.155403], the authors investigated the spectrum of a Coulomb impurity in graphene in the presence of magnetic and electric fields using the coupled series expansion approach. In the first part of their paper, they investigated how Coulomb impurity states collapse in the presence of a perpendicular magnetic field. We argue that the obtained spectrum does not give information about the atomic collapse and that their interpretation of the spectrum regarding atomic collapse is not correct. We also argue that the obtained results are only valid up to the dimensionless charge |α |=0.5 and, to obtain correct results for α >0.5 , a proper regularization of the Coulomb interaction is required. Here we present the correct numerical results for the spectrum for arbitrary values of α .

Electronic structure and optical properties of triangular GaAs/AlGaAs quantum dots: Exciton and impurity states

NASA Astrophysics Data System (ADS)

Tiutiunnyk, A.; Akimov, V.; Tulupenko, V.; Mora-Ramos, M. E.; Kasapoglu, E.; Ungan, F.; Sökmen, I.; Morales, A. L.; Duque, C. A.

2016-03-01

Electronic structure and optical properties in equilateral triangular GaAs/Al0.3Ga0.7As quantum dots are studied extensively. The effects of donor and acceptor impurity atoms positioned in the orthocenter of the triangle, as well as of the external DC electric field are taken into account. Binding energies of the impurity, exciton energies, interband photoluminescence peak positions as well as linear and non-linear optical properties in THz range caused by transitions between excitonic states are calculated and discussed.

The effects of impurities on the performance of silicon solar cells

NASA Technical Reports Server (NTRS)

Yamakawa, K. A.

1981-01-01

The major factors that determine the tolerable concentrations of impurities in silicon feedstock for solar cells used in power generation are discussed in this report. It is concluded that a solar-grade silicon can be defined only for a specific manufacturing process. It is also concluded that it is the electrical effects, efficiency and resistivity, that are dominant in determining tolerable concentrations of impurities in the silicon feedstock. Crystal growth effects may become important when faster growth rates and larger crystal diameters are developed and used.

Study on Iron Distribution and Electrical Activities at Grain Boundaries in Polycrystalline Silicon Substrate for Solar Cells

NASA Astrophysics Data System (ADS)

Arafune, Koji; Ohishi, Eichiro; Sai, Hitoshi; Terada, Yasuko; Ohshita, Yoshio; Yamaguchi, Masafumi

2006-08-01

To clarify the role of grain boundaries in iron sinks and carrier recombination centers, iron distributions and their chemical states were studied before and after gettering. They were measured by the X-ray microprobe fluorescence and the X-ray absorption in the near-edge structure using the beamline 37XU at the SPring-8 third-generation synchrotron facility. To determine the crystallographic orientation of the grain boundaries, electron backscatter diffraction measurements were performed. The distribution of electric active defects was characterized by electron-beam-induced current measurements. Before gettering, the iron was distributed in the small grain and its chemical state was similar to that of iron oxide. After gettering, the iron was redistributed along the small angle grain boundary, and its chemical state was similar to the iron silicide complexed with the iron oxide. Regarding the electrical activity, high carrier recombination was observed along the small-angle grain boundary. On the contrary, Σ 3 grain boundaries were relatively weak impurity sinks and showed low recombination activity.

Impurity-induced deep centers in Tl 6SI 4

DOE PAGES

Shi, Hongliang; Lin, Wenwen; Kanatzidis, Mercouri G.; ...

2017-04-13

Tl 6SI 4 is a promising material for room-temperature semiconductor radiation detection applications. The history of the development of semiconductor radiation detection materials has demonstrated that impurities strongly affect the carrier transport and that material purification is a critically important step in improving the carrier transport and thereby the detector performance. Here, we report combined experimental and theoretical studies of impurities in Tl 6SI 4. Impurity concentrations in Tl 6SI 4 were analyzed by glow discharge mass spectrometry. Purification of the raw material by multi-pass vertical narrow zone refining was found to be effective in reducing the concentrations of mostmore » impurities. Density functional theory calculations were also performed to study the trapping levels introduced by the main impurities detected in experiments. We show that, among dozens of detected impurities, most are either electrically inactive or shallow. In the purified Tl 6SI 4 sample, only Bi has a significant concentration (0.2 ppm wt) and introduces deep electron trapping levels in the band gap. Lastly, improvement of the purification processes is expected to further reduce the impurity concentrations and their impact on carrier transport in Tl 6SI 4, leading to improved detector performance.« less

Investigation on the compensation effect of residual carbon impurities in low temperature grown Mg doped GaN films

NASA Astrophysics Data System (ADS)

Yang, J.; Zhao, D. G.; Jiang, D. S.; Chen, P.; Liu, Z. S.; Le, L. C.; Li, X. J.; He, X. G.; Liu, J. P.; Zhang, S. M.; Wang, H.; Zhu, J. J.; Yang, H.

2014-04-01

The influence of unintentionally doped carbon impurities on electrical resistivity and yellow luminescence (YL) of low-temperature (LT) grown Mg doped GaN films is investigated. It is found that the resistivity of Mg doped GaN films are closely related to the residual carbon impurity concentration, which may be attributed to the compensation effect of carbon impurities. The carbon impurity may preferentially form deep donor complex CN-ON resulting from its relatively low formation energy. This complex is an effective compensate center for MgGa acceptors as well as inducing YL in photoluminescence spectra. Thus, the low resistivity LT grown p-type GaN films can be obtained only when the residual carbon impurity concentration is sufficiently low, which can explain why LT P-GaN films with lower resistivity were obtained more easily when relatively higher pressure, temperature, or NH3/TMGa flow rate ratio were used in the LT grown Mg doped GaN films reported in earlier reports.

Characterisation of semi-insulating GaAs

NASA Technical Reports Server (NTRS)

Walukiewicz, W.; Pawlowicz, L.; Lagowski, J.; Gatos, H. C.

1982-01-01

Hole and electron mobilities as functions of temperature and ionised impurity concentration are calculated for GaAs. It is shown that these calculations, when used to analyse electrical properties of semi-insulating GaAs, enable an assessment of the Fermi energy position and ionised impurity concentration to be made. In contrast to previous work, the analysis does not require any phenomenological assumptions.

On the eccentricity effects on the intraband optical transitions in two dimensional quantum rings with and without donor impurity

NASA Astrophysics Data System (ADS)

Nasri, Djillali

2018-07-01

Using the plane wave expansion in the frame of the effective mass approximation, a straightforward method is presented to calculate the energy levels and the corresponding wavefunctions in a two dimensional GaAs/AlxGa1-xAs eccentric quantum rings (QRs) with and without donor impurity. The transition energy and their related optical absorption coefficients are calculated. The obtained results show that the transition energy between the ground state and the first two excited states and their related optical matrix are strongly influenced by the eccentricity and the donor position. The resonant peaks of the absorption coefficients for electron are blueshifted, while for QRs with an off center impurity the resonant peaks are red or blueshifted depending on the donor positions and eccentricity. In addition, we have found that a small eccentricity acts on the QRs qualitatively as a weak radial electric field. Moreover, an electric field is no longer able to reproduce perfectly the eccentricity effect when the eccentricity becomes relatively strong. Finally, our results are qualitatively similar to those reported in recent works dealing with concentric QRs under a radial electric field.

Constraints on the Geophysical Detection of Brine within the Europa Ice Shell From a Synthesis of Dielectric Spectroscopy Measurements

NASA Astrophysics Data System (ADS)

Stillman, D. E.; Grimm, R. E.; MacGregor, J. A.; Sander-Olhoeft, M.; Brown, J.

2016-12-01

The numerous chaos regions, lenticulae and double layer ridges on Europa's surface suggest that pockets of liquid currently exist or did exist. Here we investigate the sensitivity of ice-penetrating radar (IPR) and magnetotelluric (MT) methods to the putative electrical properties of Europa's ice shell, based on a set of plausible ice-shell scenarios and a synthesis of laboratory dielectric spectroscopy measurements of hundreds of ice samples. We evaluate models of the electrical conductivity of the ice shell as a function of impurity content, temperature and liquid vein network tortuosity. Europa's ice shell is estimated to be 5-30 km thick. If its thickness exceeds 10 km, the shell likely convects within its bottom 70%, while the upper part is thermally conductive. These convective downwellings and upwellings are estimated to have core temperatures of 235 K and 253 K, respectively. Downwellings are so cold that they are below of eutectic temperature of most Europa-relevant salts, but not below that of Europa-relevant acids. Given the low temperature of downwelling ice, IPR is expected to penetrate through it. Warmer upwellings may possess significant amounts of unfrozen water if the shell is acid- or salt-rich. The injection of liquid or the melting of acid- or salt-rich ice will eventually lead to refreezing, as the shell conducts away this excess heat. As liquid freezes, impurities are rejected and concentrated in a liquid vein network surrounding relatively pure ice crystals. These vein networks remain liquid as long as the temperature is greater than that of the eutectic of the bulk impurities. Therefore, in upwellings, vein networks should be briny and hence more electrically conductive. The electrical conductivity of these vein networks depends on the initial impurity concentration of the liquid, impurity type, temperature and the tortuosity of any vein networks. The latter property decreases with increasing ice recrystallization. We conclude that IPR will likely be able to map the top of the unfrozen zone, assuming typical marine ice salt concentrations, but not penetrate through it. MT measurements could complement IPR effectively, because they could measure a conductivity depth profile within the unfrozen part of the ice shell, where the electrical conductivity exceeds 0.1 mS/m.

An LOD with improved breakdown voltage in full-frame CCD devices

NASA Astrophysics Data System (ADS)

Banghart, Edmund K.; Stevens, Eric G.; Doan, Hung Q.; Shepherd, John P.; Meisenzahl, Eric J.

2005-02-01

In full-frame image sensors, lateral overflow drain (LOD) structures are typically formed along the vertical CCD shift registers to provide a means for preventing charge blooming in the imager pixels. In a conventional LOD structure, the n-type LOD implant is made through the thin gate dielectric stack in the device active area and adjacent to the thick field oxidation that isolates the vertical CCD columns of the imager. In this paper, a novel LOD structure is described in which the n-type LOD impurities are placed directly under the field oxidation and are, therefore, electrically isolated from the gate electrodes. By reducing the electrical fields that cause breakdown at the silicon surface, this new structure permits a larger amount of n-type impurities to be implanted for the purpose of increasing the LOD conductivity. As a consequence of the improved conductance, the LOD width can be significantly reduced, enabling the design of higher resolution imaging arrays without sacrificing charge capacity in the pixels. Numerical simulations with MEDICI of the LOD leakage current are presented that identify the breakdown mechanism, while three-dimensional solutions to Poisson's equation are used to determine the charge capacity as a function of pixel dimension.

DFTB+ and lanthanides

NASA Astrophysics Data System (ADS)

Hourahine, B.; Aradi, B.; Frauenheim, T.

2010-07-01

DFTB+ is a recent general purpose implementation of density-functional based tight binding. One of the early motivators to develop this code was to investigate lanthanide impurities in nitride semiconductors, leading to a series of successful studies into structure and electrical properties of these systems. Here we describe our general framework to treat the physical effects needed for these problematic impurities within a tight-binding formalism, additionally discussing forces and stresses in DFTB. We also present an approach to evaluate the general case of Slater-Koster transforms and all of their derivatives in Cartesian coordinates. These developments are illustrated by simulating isolated Gd impurities in GaN.

Effect of Feedstock and Catalyst Impurities on the Methanol‐to‐Olefin Reaction over H‐SAPO‐34

PubMed Central

Vogt, Charlotte; Ruiz‐Martínez, Javier

2016-01-01

Abstract Operando UV/Vis spectroscopy with on‐line mass spectrometry was used to study the effect of different types of impurities on the hydrocarbon pool species and the activity of H‐SAPO‐34 as a methanol‐to‐olefins (MTO) catalyst. Successive reaction cycles with different purity feedstocks were studied, with an intermittent regeneration step. The combined study of two distinct impurity types (i.e., feed and internal impurities) leads to new insights into MTO catalyst activation and deactivation mechanisms. In the presence of low amounts of feed impurities, the induction and active periods of the process are prolonged. Feed impurities are thus beneficial in the formation of the initial hydrocarbon pool, but also aid in the unwanted formation of deactivating coke species by a separate, competing mechanism favoring coke species over olefins. Further, feedstock impurities strongly influence the location of coke deposits, and thus influence the deactivation mechanism, whereas a study of the organic impurities retained after calcination reveals that these species are less relevant for catalyst activity and function as “seeds” for coke formation only. PMID:28163792

Unified Numerical Solver for Device Metastabilities in CdTe Thin-Film PV

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vasileska, Dragica

Thin-film modules of all technologies often suffer from performance degradation over time. Some of the performance changes are reversible and some are not, which makes deployment, testing, and energy-yield prediction more challenging. Manufacturers de-vote significant empirical efforts to study these phenomena and to improve semiconduc-tor device stability. Still, understanding the underlying reasons of these instabilities re-mains clouded due to the lack of ability to characterize materials at atomistic levels and the lack of interpretation from the most fundamental material science. The most com-monly alleged causes of metastability in CdTe device, such as “migration of Cu,” have been investigated rigorously overmore » the past fifteen years. Still, the discussion often ended prematurely with stating observed correlations between stress conditions and changes in atomic profiles of impurities or CV doping concentration. Multiple hypotheses sug-gesting degradation of CdTe solar cell devices due to interaction and evolution of point defects and complexes were proposed, and none of them received strong theoretical or experimental confirmation. It should be noted that atomic impurity profiles in CdTe pro-vide very little intelligence on active doping concentrations. The same elements could form different energy states, which could be either donors or acceptors, depending on their position in crystalline lattice. Defects interact with other extrinsic and intrinsic de-fects; for example, changing the state of an impurity from an interstitial donor to a sub-stitutional acceptor often is accompanied by generation of a compensating intrinsic in-terstitial donor defect. Moreover, all defects, intrinsic and extrinsic, interact with the elec-trical potential and free carriers so that charged defects may drift in the electric field and the local electrical potential affects the formation energy of the point defects. Such complexity of interactions in CdTe makes understanding of temporal changes in device performance even more challenging and a closed solution that can treat the entire sys-tem and its interactions is required.« less

Metastability and reliability of CdTe solar cells

NASA Astrophysics Data System (ADS)

Guo, Da; Brinkman, Daniel; Shaik, Abdul R.; Ringhofer, Christian; Vasileska, Dragica

2018-04-01

Thin-film modules of all technologies often suffer from performance degradation over time. Some of the performance changes are reversible and some are not, which makes deployment, testing, and energy-yield prediction more challenging. Manufacturers devote significant empirical efforts to study these phenomena and to improve semiconductor device stability. Still, understanding the underlying reasons of these instabilities remains clouded due to the lack of ability to characterize materials at atomistic levels and the lack of interpretation from the most fundamental material science. The most commonly alleged causes of metastability in CdTe devices, such as ‘migration of Cu’, have been investigated rigorously over the past fifteen years. Still, the discussion often ended prematurely with stating observed correlations between stress conditions and changes in atomic profiles of impurities or CV doping concentration. Multiple hypotheses suggesting degradation of CdTe solar cell devices due to interaction and evolution of point defects and complexes were proposed, and none of them received strong theoretical or experimental confirmation. It should be noted that atomic impurity profiles in CdTe provide very little intelligence on active doping concentrations. The same elements could form different energy states, which could be either donors or acceptors, depending on their position in crystalline lattice. Defects interact with other extrinsic and intrinsic defects; for example, changing the state of an impurity from an interstitial donor to a substitutional acceptor often is accompanied by generation of a compensating intrinsic interstitial donor defect. Moreover, all defects, intrinsic and extrinsic, interact with the electrical potential and free carriers so that charged defects may drift in the electric field and the local electrical potential affects the formation energy of the point defects. Such complexity of interactions in CdTe makes understanding of temporal changes in device performance even more challenging and a closed solution that can treat the entire system and its interactions is required.

Effect of V/III ratio on the surface morphology and electrical properties of m-plane (10 1 bar 0) GaN homoepitaxial layers

NASA Astrophysics Data System (ADS)

Barry, Ousmane I.; Tanaka, Atsushi; Nagamatsu, Kentaro; Bae, Si-Young; Lekhal, Kaddour; Matsushita, Junya; Deki, Manato; Nitta, Shugo; Honda, Yoshio; Amano, Hiroshi

2017-06-01

We have investigated the effect of V/III ratio on the surface morphology, impurity concentration and electrical properties of m-plane (10 1 bar 0) Gallium Nitride (GaN) homoepitaxial layers. Four-sided pyramidal hillocks are observed on the nominally on-axis m-plane GaN films. Hillocks sizes relatively increase by increasing the V/III ratio. All facets of pyramidal hillocks exhibit well-defined step-terrace features. Secondary ion mass spectrometry depth profiles reveal that carbon impurities decrease by increasing the V/III ratio while the lowest oxygen content is found at an optimized V/III ratio of 900. Vertical Schottky barrier diodes fabricated on the m-GaN samples were characterized. Low leakage current densities of the order of 10-10 A/cm2 at -5 V are obtained at the optimum V/III ratio. Oxygen impurities and screw-component dislocations around hillocks are found to have more detrimental impact on the leakage current mechanism.

Single layer multi-color luminescent display and method of making

NASA Technical Reports Server (NTRS)

Robertson, James B. (Inventor)

1992-01-01

The invention is a multi-color luminescent display comprising an insulator substrate and a single layer of host material, which may be a phosphor deposited thereon that hosts one or more different impurities, therein forming a pattern of selected and distinctly colored phosphors such as blue, green, and red phosphors in a single layer of host material. Transparent electrical conductor means may be provided for subjecting selected portions of the pattern of colored phosphors to an electric field, thereby forming a multi-color, single layer electroluminescent display. A method of forming a multi-color luminescent display includes the steps of depositing on an insulator substrate a single layer of host material, which itself may be a phosphor, with the properties to host varying quantities of different impurities and introducing one or more of said different impurities into selected areas of the said single layer of host material by thermal diffusion or ion implantation to form a pattern of phosphors of different colors in the said single layer of host material.

Evaluation of Surface Cleaning of Si(211) for Molecular-Beam Epitaxy Deposition of Infrared Detectors

NASA Astrophysics Data System (ADS)

Jaime-Vasquez, M.; Jacobs, R. N.; Benson, J. D.; Stoltz, A. J.; Almeida, L. A.; Bubulac, L. O.; Chen, Y.; Brill, G.

2010-07-01

We report an assessment of the reproducibility of the HF cleaning process and As passivation prior to the nucleation of ZnTe on the Si(211) surface using temperature desorption spectroscopy, ion scattering spectroscopy, and electron spectroscopy. Observations suggest full H coverage of the Si(211) surface with mostly monohydride and small amounts of dihydride states, and that F is uniformly distributed across the top layer as a physisorbed species. Variations in major contaminants are observed across the Si surface and at the CdTe-ZnTe/Si interface. Defects act as getters for impurities present on the Si surface, and some are buried under the CdTe/ZnTe heterostructure. Overall, the data show evidence of localized concentration of major impurities around defects, supporting the hypothesis of a physical model explaining the electrical activation of defects in long-wave infrared (LWIR) HgCdTe/CdTe/Si devices.

Evaluating the Sources of Graphene’s Resistivity Using Differential Conductance

DOE PAGES

Somphonsane, R.; Ramamoorthy, H.; He, G.; ...

2017-09-04

We explore the contributions to the electrical resistance of monolayer and bilayer graphene, revealing transitions between different regimes of charge carrier scattering. In monolayer graphene at low densities, a nonmonotonic variation of the resistance is observed as a function of temperature. Such behaviour is consistent with the influence of scattering from screened Coulomb impurities. At higher densities, the resistance instead varies in a manner consistent with the influence of scattering from acoustic and optical phonons. The crossover from phonon-, to charged-impurity, limited conduction occurs once the concentration of gate-induced carriers is reduced below that of the residual carriers. In bilayermore » graphene, the resistance exhibits a monotonic decrease with increasing temperature for all densities, with the importance of short-range impurity scattering resulting in a “universal” density-independent (scaled) conductivity at high densities. At lower densities, the conductivity deviates from this universal curve, pointing to the importance of thermal activation of carriers out of charge puddles. These various assignments, in both systems, are made possible by an approach of “differential-conductance mapping”, which allows us to suppress quantum corrections to reveal the underlying mechanisms governing the resistivity.« less

Evaluating the Sources of Graphene’s Resistivity Using Differential Conductance

DOE Office of Scientific and Technical Information (OSTI.GOV)

Somphonsane, R.; Ramamoorthy, H.; He, G.

We explore the contributions to the electrical resistance of monolayer and bilayer graphene, revealing transitions between different regimes of charge carrier scattering. In monolayer graphene at low densities, a nonmonotonic variation of the resistance is observed as a function of temperature. Such behaviour is consistent with the influence of scattering from screened Coulomb impurities. At higher densities, the resistance instead varies in a manner consistent with the influence of scattering from acoustic and optical phonons. The crossover from phonon-, to charged-impurity, limited conduction occurs once the concentration of gate-induced carriers is reduced below that of the residual carriers. In bilayermore » graphene, the resistance exhibits a monotonic decrease with increasing temperature for all densities, with the importance of short-range impurity scattering resulting in a “universal” density-independent (scaled) conductivity at high densities. At lower densities, the conductivity deviates from this universal curve, pointing to the importance of thermal activation of carriers out of charge puddles. These various assignments, in both systems, are made possible by an approach of “differential-conductance mapping”, which allows us to suppress quantum corrections to reveal the underlying mechanisms governing the resistivity.« less

Characterization and Mitigation of ICRF Antenna - Plasma Edge Interaction

NASA Astrophysics Data System (ADS)

Hong, Rongjie; Tynan, George; Wukitch, Steve; Lin, Yijun; Terry, Jim; Chilenski, M.; Golfinopoulos, T.; Hubbard, A.; Mumgaard, R. T.; Perkins, R.; Reinke, M. L.; Alcator C-Mod Team

2017-10-01

Recent experiments reveal that RF-induced potentials (VRF) in the SOL and impurity source at the antenna can be reduced to background levels via optimizing the power ratio between the inner and outer current straps, Pcent /Pout . Experiments indicate the antenna impurity source reduction for the field aligned antenna is due to geometrical alignment rather than electrical symmetry. Additional experiments performed without an optimized Pcent /Pout showed that VRF and the associated convection cells do not influence the impurity penetration or core impurity confinement. These results suggest the core impurity contamination associated with ICRF heating is dominated by an increased impurity source rather than a change in impurity transport. Further, the convective cell strength was expected to scale inversely with B-field. The observed poloidal velocity (measure of convective cell strength), however, decreased less than expected. In addition, the measured maximum VRF increased and penetrated farther into the SOL at higher B-field and plasma current. Results also suggest VRF is strongly influenced by the SOL plasma parameters rather than by RF parameters. Work supported by the U.S. DoE, Office of Science, Office of Fusion Energy Sciences, User Facility Alcator C-Mod under DE-FC02-99ER54512 and DE-SC 0010720.

Oxygen Impurities Link Bistability and Magnetoresistance in Organic Spin Valves.

PubMed

Bergenti, Ilaria; Borgatti, Francesco; Calbucci, Marco; Riminucci, Alberto; Cecchini, Raimondo; Graziosi, Patrizio; MacLaren, Donald A; Giglia, Angelo; Rueff, Jean Pascal; Céolin, Denis; Pasquali, Luca; Dediu, Valentin

2018-03-07

Vertical crossbar devices based on manganite and cobalt injecting electrodes and a metal-quinoline molecular transport layer are known to manifest both magnetoresistance (MR) and electrical bistability. The two effects are strongly interwoven, inspiring new device applications such as electrical control of the MR and magnetic modulation of bistability. To explain the device functionality, we identify the mechanism responsible for electrical switching by associating the electrical conductivity and the impedance behavior with the chemical states of buried layers obtained by in operando photoelectron spectroscopy. These measurements revealed that a significant fraction of oxygen ions migrate under voltage application, resulting in a modification of the electronic properties of the organic material and of the oxidation state of the interfacial layer with the ferromagnetic contacts. Variable oxygen doping of the organic molecules represents the key element for correlating bistability and MR, and our measurements provide the first experimental evidence in favor of the impurity-driven model describing the spin transport in organic semiconductors in similar devices.

Neoclassical poloidal and toroidal rotation in tokamaks

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, Y.B.; Diamond, P.H.; Groebner, R.J.

1991-08-01

Explicit expressions for the neoclassical poloidal and toroidal rotation speeds of primary ion and impurity species are derived via the Hirshman and Sigmar moment approach. The rotation speeds of the primary ion can be significantly different from those of impurities in various interesting cases. The rapid increase of impurity poloidal rotation in the edge region of H-mode discharges in tokamaks can be explained by a rapid steepening of the primary ion pressure gradient. Depending on ion collisionality, the poloidal rotation speed of the primary ions at the edge can be quite small and the flow direction may be opposite tomore » that of the impurities. This may cast considerable doubts on current L to H bifurcation models based on primary ion poloidal rotation only. Also, the difference between the toroidal rotation velocities of primary ions and impurities is not negligible in various cases. In Ohmic plasmas, the parallel electric field induces a large impurity toroidal rotation close to the magnetic axis, which seems to agree with experimental observations. In the ion banana and plateau regime, there can be non-negligible disparities between primary ion and impurity toroidal rotation velocities due to the ion density and temperature gradients. Detailed analytic expressions for the primary ion and impurity rotation speeds are presented, and the methodology for generalization to the case of several impurity species is also presented for future numerical evaluation.« less

Magnetic-field-modulated resonant tunneling in ferromagnetic-insulator-nonmagnetic junctions.

PubMed

Song, Yang; Dery, Hanan

2014-07-25

We present a theory for resonance-tunneling magnetoresistance (MR) in ferromagnetic-insulator-nonmagnetic junctions. The theory sheds light on many of the recent electrical spin injection experiments, suggesting that this MR effect rather than spin accumulation in the nonmagnetic channel corresponds to the electrically detected signal. We quantify the dependence of the tunnel current on the magnetic field by quantum rate equations derived from the Anderson impurity model, with the important addition of impurity spin interactions. Considering the on-site Coulomb correlation, the MR effect is caused by competition between the field, spin interactions, and coupling to the magnetic lead. By extending the theory, we present a basis for operation of novel nanometer-size memories.

On neoclassical impurity transport in stellarator geometry

NASA Astrophysics Data System (ADS)

García-Regaña, J. M.; Kleiber, R.; Beidler, C. D.; Turkin, Y.; Maaßberg, H.; Helander, P.

2013-07-01

The impurity dynamics in stellarators has become an issue of moderate concern due to the inherent tendency of the impurities to accumulate in the core when the neoclassical ambipolar radial electric field points radially inwards (ion root regime). This accumulation can lead to collapse of the plasma due to radiative losses, and thus limit high performance plasma discharges in non-axisymmetric devices. A quantitative description of the neoclassical impurity transport is complicated by the breakdown of the assumption of small E × B drift and trapping due to the electrostatic potential variation on a flux surface \\tilde{\\Phi} compared with those due to the magnetic field gradient. This work examines the impact of this potential variation on neoclassical impurity transport in the Large Helical Device heliotron. It shows that the neoclassical impurity transport can be strongly affected by \\tilde{\\Phi} . The central numerical tool used is the δf particle in cell Monte Carlo code EUTERPE. The \\tilde{\\Phi} used in the calculations is provided by the neoclassical code GSRAKE. The possibility of obtaining a more general \\tilde{\\Phi} self-consistently with EUTERPE is also addressed and a preliminary calculation is presented.

Electrical conductivity enhancement by boron-doping in diamond using first principle calculations

NASA Astrophysics Data System (ADS)

Ullah, Mahtab; Ahmed, Ejaz; Hussain, Fayyaz; Rana, Anwar Manzoor; Raza, Rizwan

2015-04-01

Boron doping in diamond plays a vital role in enhancing electrical conductivity of diamond by making it a semiconductor, a conductor or even a superconductor. To elucidate this fact, partial and total density of states has been determined as a function of B-content in diamond. Moreover, the orbital charge distributions, B-C bond lengths and their population have been studied for B-doping in pristine diamond thin films by applying density functional theory (DFT). These parameters have been found to be influenced by the addition of different percentages of boron atoms in diamond. The electronic density of states, B-C bond situations as well as variations in electrical conductivities of diamond films with different boron content and determination of some relationship between these parameters were the basic tasks of this study. Diamond with high boron concentration (∼5.88% B-atoms) showed maximum splitting of energy bands (caused by acceptor impurity states) at the Fermi level which resulted in the enhancement of electron/ion conductivities. Because B atoms either substitute carbon atoms and/or assemble at grain boundaries (interstitial sites) inducing impurity levels close to the top of the valence band. At very high B-concentration, impurity states combine to form an impurity band which accesses the top of the valence band yielding metal like conductivity. Moreover, bond length and charge distributions are found to decrease with increase in boron percentage in diamond. It is noted that charge distribution decreased from +1.89 to -1.90 eV whereas bond length reduced by 0.04 Å with increasing boron content in diamond films. These theoretical results support our earlier experimental findings on B-doped diamond polycrystalline films which depict that the addition of boron atoms to diamond films gives a sudden fall in resistivity even up to 105 Ω cm making it a good semiconductor for its applications in electrical devices.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhou, T.Q.; Buczkowski, A.; Radzimski, Z.J.

The electrical activity of as-grown and intentionally decorated misfit dislocations in an epitaxial Si/Si(Ge) heterostructure was examined using the electron beam induced current (EBIC) technique in a scanning electron microscope. Misfit dislocations, which were not visible initially, were subsequently activated either by an unknown processing contaminant or a backside metallic impurity. Passivation of these contaminated dislocations was then studied using low energy deuterium ion implantation in a Kaufman ion source. EBIC results show that the recombination activity of the decorated misfit dislocations was dramatically reduced by the deuterium treatment. Although a front side passivation treatment was more effective than amore » backside treatment, a surface ion bombardment damage problem is still evident. 5 refs., 3 figs.« less

Titanium in silicon as a deep level impurity

NASA Technical Reports Server (NTRS)

Chen, J.-W.; Milnes, A. G.; Rohatgi, A.

1979-01-01

Titanium inserted in silicon by diffusion or during Czochralski ingot growth is electrically active to a concentration level of about 4 x 10 to the 14th per cu cm. It is reported that Hall measurements after diffusion show conversion of lightly doped p-type Si to n-type due to a Ti donor level at E sub c -0.22 eV. In addition, in DLTS measurements of n(+)p structures this level shows as an electron (minority carrier) trap at E sub c -0.26 eV with an electron capture cross section of about 3 x 10 to the -15th per sq cm at 300 K. Finally, a Ti electrically active concentration of about 1.35 x 10 to the 13th per cu cm in p type Si results in a minority carrier (electron) lifetime of 50 nsec at 300 K.

Method for enhancing growth of SiO.sub.2 in Si by the implantation of germanium

DOEpatents

Holland, Orin W.; Fathy, Dariush; White, Clark W.

1990-04-24

A method for enhancing the conversion of Si to SiO.sub.2 in a directional fashion wherein steam or wet oxidation of Si is enhanced by the prior implantation of Ge into the Si. The unique advantages of the Ge impurity include the directional enhancement of oxidation and the reduction in thermal budget, while at the same time, Ge is an electrically inactive impurity.

Impurity quadrupole Kondo ground state in a dilute Pr system Y1-xPrxIr2Zn20

NASA Astrophysics Data System (ADS)

Yamane, Yu; Onimaru, Takahiro; Uenishi, Kazuto; Wakiya, Kazuhei; Matsumoto, Keisuke T.; Umeo, Kazunori; Takabatake, Toshiro

2018-05-01

The electrical resistivity ρ and specific heat C of a dilute Pr system Y1-xPrxIr2Zn20 for 0 ≤ x ≤ 0.44 were measured to study the phenomena arising from active quadrupoles of the Pr3+ ion with 4f2 configuration. On cooling, ρ's of all samples monotonically decrease, while the residual resistivity ratio ρ(300 K)/ρ(3 K) drastically decreases with x. In the whole range x ≤ 0.44, the magnetic contribution to the specific heat divided by temperature Cm/T shows a broad maximum at around 10 K, which can be reproduced by a two-level model with a first-excited triplet separated by 30 K from a ground state doublet. This indicates that the crystalline electric field ground state of the Pr ions remains in the Γ3 doublet for the cubic Td point group. On cooling, the Cm/T data for x = 0.085 and 0.44 approach constant values at T<0.3 K as expected from the random two-level model. By contrast, Cm/T for x = 0.044 increases continuously down to 0.08 K, suggesting a non-Fermi liquid state due to the impurity quadrupole Kondo effect.

Electrical manipulation of dynamic magnetic impurity and spin texture of helical Dirac fermions

NASA Astrophysics Data System (ADS)

Wang, Rui-Qiang; Zhong, Min; Zheng, Shi-Han; Yang, Mou; Wang, Guang-Hui

2016-05-01

We have theoretically investigated the spin inelastic scattering of helical electrons off a high-spin nanomagnet absorbed on a topological surface. The nanomagnet is treated as a dynamic quantum spin and driven by the spin transfer torque effect. We proposed a mechanism to electrically manipulate the spin texture of helical Dirac fermions rather than by an external magnetic field. By tuning the bias voltage and the direction of impurity magnetization, we present rich patterns of spin texture, from which important fingerprints exclusively associated with the spin helical feature are obtained. Furthermore, it is found that the nonmagnetic potential can create the resonance state in the spin density with different physics as the previously reported resonance of charge density.

Modeling of non-stationary local response on impurity penetration in plasma

NASA Astrophysics Data System (ADS)

Tokar, M. Z.; Koltunov, M.

2012-04-01

In fusion devices, strongly localized intensive sources of impurities may arise unexpectedly, e.g., if the wall is excessively demolished by hot plasma particles, or can be created deliberately through impurity seeding. The spreading of impurities from such sources both along and perpendicular to the magnetic field is affected by coulomb collisions with background particles, ionization, acceleration by electric field, etc. Simultaneously, the plasma itself can be significantly disturbed by these interactions. To describe self-consistently the impurity spreading process and the plasma response, three-dimensional fluid equations for the particle, parallel momentum, and energy balances of various plasma components are solved by reducing them to ordinary differential equations for the time evolution of several parameters characterizing the solutions in principal details: the maximum densities of impurity ions of different charges, the dimensions both along and across the magnetic field of the shells occupied by these particles, the characteristic temperatures of all plasma components, and the densities of the main ions and electrons in different shells. The results of modeling for penetration of lithium singly charged particles in tokamak edge plasma are presented. A new mechanism for the condensation phenomenon and formation of cold dense plasma structures, implying an outstanding role of coulomb collisions between main and impurity ions, is proposed.

An origin of good electrical conduction in La{sub 4}BaCu{sub 5}O{sub 13+δ}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mori, Daiki; Asai, Shinichiro; Terasaki, Ichiro, E-mail: terra@cc.nagoya-u.ac.jp

2015-07-21

We have prepared a set of polycrystalline samples of the metallic copper oxide La{sub 4}BaCu{sub 5−x}Co{sub x}O{sub 13+δ} (0 ≤ x ≤ 0.35) and have measured the resistivity from 4 to 800 K. All the resistivities show metallic temperature dependence with a small magnitude less than 2 mΩ cm at 800 K, indicating that the metallic conduction is robust against impurities. The robust metallic conduction further suggests that this class of oxide is a promising candidate for electrical leads at high temperature, which might replace platinum. A detailed measurement and analysis on the Hall resistivity have revealed that at least two components are responsible for the electricalmore » conduction, in which a large number of electrons of moderate mobility coexist with a much smaller number of holes of extremely high mobility. This large electron density well screens the impurity potential and retains the metallic conduction against 7% impurity doping.« less

Influence of damped propagation of dopant on the static and frequency-dependent third nonlinear polarizability of quantum dot

NASA Astrophysics Data System (ADS)

Pal, Suvajit; Ghosh, Manas

2014-07-01

We investigate the profiles of diagonal components of static and frequency-dependent third nonlinear (γxxxx and γyyyy) polarizability of repulsive impurity doped quantum dots. The dopant impurity potential takes a GAUSSIAN form. We have considered propagation of the dopant within an environment that damps the motion. The study focuses on role of damping strength on the diagonal components of both static and frequency-dependent third nonlinear polarizability of the doped system. The doped system is further exposed to an external electric field of given intensity. Damping subtly modulates the dot-impurity interaction and fabricates the polarizability components in a noticeable manner.

Super Yang-Mills theory with impurity walls and instanton moduli spaces

NASA Astrophysics Data System (ADS)

Cherkis, Sergey A.; O'Hara, Clare; Sämann, Christian

2011-06-01

We explore maximally supersymmetric Yang-Mills theory with walls of impurities respecting half of the supersymmetries. The walls carry fundamental or bifundamental matter multiplets. We employ three-dimensional N=2 superspace language to identify the Higgs branch of this theory. We find that the vacuum conditions determining the Higgs branch are exactly the bow equations yielding Yang-Mills instantons on a multi-Taub-NUT space. Under electric-magnetic duality, the super Yang-Mills theory describing the bulk is mapped to itself, while the fundamental- and bifundamental-carrying impurity walls are interchanged. We perform a one-loop computation on the Coulomb branch of the dual theory to find the asymptotic metric on the original Higgs branch.

Electronic and optical properties of MoSe2 monolayer in the presence of Nb impurity: A first principle study

NASA Astrophysics Data System (ADS)

Kumar, Sanjeev; Sharma, Munish; Ahluwalia, P. K.

2018-04-01

The study of electronic and optical properties of Molybdenum diselenide monolayer (1H-MoSe2) in the presence of Niobium impurity (Nb), has been calculated and compared with available experimental and other calculated results in the literature. The electronic and optical properties of this system are investigated in the two cases.i) when MoS2 monolayer is doped suitably with Nb ii) when Nb is added (intercalated in the interstitial sites) suitably. The presence of even 2.08% Nb as an impurity reflects strong bonding with the host and results in semiconducting to metallic transition, which is also reflected in the overlap of σ valence band and п plasmon band in EELS. Thus, Molybdenum diselenide monolayer in the presence of Nb impurity appears to be a potential a candidate for applications in electrical and optical devices.

Core Radial Electric Field and Transport in Wendelstein 7-X Plasmas

NASA Astrophysics Data System (ADS)

Pablant, Novimir

2016-10-01

Results from the investigation of core transport and the role of the radial electric field profile (Er) in the first operational phase of the Wendelstein 7-X (W7-X) stellarator are presented. In stellarator plasmas, the details of the Er profile are expected to have a strong effect on both the particle and heat fluxes. Neoclassical particle fluxes are not intrinsically ambipolar, which leads to the formation of a radial electric field that enforces ambipolarity. The radial electric field is closely related to the perpendicular plasma flow (u⊥) through the force balance equation. This allows the radial electric field to be inferred from measurements of the perpendicular flow velocity from the x-ray imaging crystal spectrometer (XICS) and correlation reflectometry diagnostics. Large changes in the perpendicular rotation, on the order of Δu⊥ 5km /s (ΔEr 12kV / m), have been observed within a set of experiments where the heating power was stepped down from 2 MW to 0.6 MW . These experiments are examined in detail to explore the relationship between, heating power, response of the temperature and density profiles and the response of the radial electric field. Estimations of the core transport are based on power balance and utilize electron temperature (Te) profiles from the ECE and Thomson scattering, electron density profiles (ne) from interferometry and Thomson scattering, ion temperature (Ti) profiles from XICS, along with measurements of the total stored energy and radiated power. Also described are a set core impurity confinement experiments and results. Impurity confinement has been investigated through the injection of trace amount of argon impurity gas at the plasma edge in conjunction with measurements of the density of various ionization states of argon from the XICS and High Efficiency eXtreme-UV Overview Spectrometer (HEXOS) diagnostics. Finally the inferred Er and heat flux profiles are compared to initial neoclassical calculations using measured plasma profiles. On behalf of the W7-X Team.

Controlled atmosphere annealing of ion implanted gallium arsenide. Final report 1 Jul 76-30 Nov 79

DOE Office of Scientific and Technical Information (OSTI.GOV)

Anderson, C.L.; Eu, V.; Feng, M.

1980-08-01

Controlled atmosphere techniques were developed as an alternative to dielectric encapsulation for the high temperature anneal of ion implanted layers in GaAs. Two approaches: (1) the controlled atmosphere technique (CAT), and (2) the melt controlled ambient technique (MCAT) have been investigated. Using the CAT procedure, which involves annealing in flowing hydrogen with an arsenic overpressure, annealing without detectable surface erosion, has been performed at temperatures as high as 950 C, with or without encapsulants. Impurity diffusion, damage recovery, and electrical activity were investigated as a function of anneal parameters. Range studies of technologically important impurities such as S, Si, Se,more » Be and Mg were carried out. For the first time the role of the encapsulant on implanted profile degradation and the importance of Cr redistribution during the anneal cycle were determined. An improved CAT anneal system capable of production quantity throughput was developed and is in current use for device processing.« less

Performance prediction of high Tc superconducting small antennas using a two-fluid-moment method model

NASA Astrophysics Data System (ADS)

Cook, G. G.; Khamas, S. K.; Kingsley, S. P.; Woods, R. C.

1992-01-01

The radar cross section and Q factors of electrically small dipole and loop antennas made with a YBCO high Tc superconductor are predicted using a two-fluid-moment method model, in order to determine the effects of finite conductivity on the performances of such antennas. The results compare the useful operating bandwidths of YBCO antennas exhibiting varying degrees of impurity with their copper counterparts at 77 K, showing a linear relationship between bandwidth and impurity level.

Is hexagonal boron nitride always good as a substrate for carbon nanotube-based devices?

PubMed

Kang, Seoung-Hun; Kim, Gunn; Kwon, Young-Kyun

2015-02-21

Hexagonal boron nitride sheets have been noted especially for their enhanced properties as substrates for sp(2) carbon-based nanodevices. To evaluate whether such enhanced properties would be retained under various realistic conditions, we investigate the structural and electronic properties of semiconducting carbon nanotubes on perfect and defective hexagonal boron nitride sheets under an external electric field as well as with a metal impurity, using density functional theory. We verify that the use of a perfect hexagonal boron nitride sheet as a substrate indeed improves the device performances of carbon nanotubes, compared with the use of conventional substrates such as SiO2. We further show that even the hexagonal boron nitride with some defects can show better performance as a substrate. Our calculations, on the other hand, also suggest that some defective boron nitride layers with a monovacancy and a nickel impurity could bring about poor device behavior since the imperfections impair electrical conductivity due to residual scattering under an applied electric field.

Neutron Detection Utilizing Gadolinium Doped Hafnium Oxide Films

DTIC Science & Technology

2008-03-01

2.2. Charge Carriers ................................................................................................ 2-2 2.3. Dopants and Impurities...the movement of the charge carries can be assumed to be at this drift velocity and in the direction of the electric field. 2.3. Dopants and...present even with the best purification processes. However, a material, or dopant , can be intentionally added to vary the electrical

Methods of electrophoretic deposition for functionally graded porous nanostructures and systems thereof

DOEpatents

Worsley, Marcus A; Baumann, Theodore F; Satcher, Joe H; Olson, Tammy Y; Kuntz, Joshua D; Rose, Klint A

2015-03-03

In one embodiment, an aerogel includes a layer of shaped particles having a particle packing density gradient in a thickness direction of the layer, wherein the shaped particles are characterized by being formed in an electrophoretic deposition (EPD) process using an impurity. In another embodiment, a method for forming a functionally graded porous nanostructure includes adding particles of an impurity and a solution to an EPD chamber, applying a voltage difference across the two electrodes of the EPD chamber to create an electric field in the EPD chamber, and depositing the material onto surfaces of the particles of the impurity to form shaped particles of the material. Other functionally graded materials and methods are described according to more embodiments.

Hydrodynamic model for conductivity in graphene.

PubMed

Mendoza, M; Herrmann, H J; Succi, S

2013-01-01

Based on the recently developed picture of an electronic ideal relativistic fluid at the Dirac point, we present an analytical model for the conductivity in graphene that is able to describe the linear dependence on the carrier density and the existence of a minimum conductivity. The model treats impurities as submerged rigid obstacles, forming a disordered medium through which graphene electrons flow, in close analogy with classical fluid dynamics. To describe the minimum conductivity, we take into account the additional carrier density induced by the impurities in the sample. The model, which predicts the conductivity as a function of the impurity fraction of the sample, is supported by extensive simulations for different values of ε, the dimensionless strength of the electric field, and provides excellent agreement with experimental data.

Lattice distortions and local compressibility around trivalent rare-earth impurities in fluorites

NASA Astrophysics Data System (ADS)

Tovar, M.; Ramos, C. A.; Fainstein, C.

1983-10-01

We have calculated the lattice distortions around trivalent rare-earth dilute impurities, occupying substitutionally metal sites in fluorites. Explicit results are given for the equilibrium positions of the nearest fluorine ligands, R, the induced electric dipole moments, and the local hydrostatic strains for MF2 (M=Cd, Ca, Sr, Pb, and Ba). These results are used to study the impurity-ligand distance dependence of the fourth-order cubic-crystal-field parameter, b4, for Gd3+ and the isoelectronic ion Eu2+. Comparison is made with the change of b4 with hydrostatic stress using the calculated local compressibility of the lattice. A consistent description of the experimental data is obtained assuming b4~R-m with m~10.

Influence of dislocation strain fields on the diffusion of interstitial iron impurities in silicon

NASA Astrophysics Data System (ADS)

Ziebarth, Benedikt; Mrovec, Matous; Elsässer, Christian; Gumbsch, Peter

2015-09-01

The efficiency of silicon (Si)-based solar cells is strongly affected by crystal defects and impurities. Metallic impurities, in particular interstitial iron (Fe) atoms, cause large electric losses because they act as recombination centers for photogenerated charge carriers. Here, we present a systematic first-principles density functional theory (DFT) study focusing on the influence of hydrostatic, uniaxial, and shear strains on the thermodynamic stability and the diffusivity of Fe impurities in crystalline Si. Our calculations show that the formation energy of neutral Fe interstitials in tetrahedral interstitial sites is almost unaffected by uniform deformations of the Si crystal up to strains of 5%. In contrast, the migration barrier varies significantly with strain, especially for hydrostatic deformation. In order to determine effective diffusion coefficients for different strain states, a kinetic Monte Carlo (kMC) model was set up based on the activation energy barriers and frequency factors obtained from the DFT simulations. By using the strain dependence of the migration barrier, we examined the migration of Fe interstitials in the vicinity of perfect 1 /2 <110 > screw and 60∘ mixed dislocations, and 1 /6 <112 > 90∘ and 30∘ partial dislocations. While the strain field of the perfect screw dislocation always enhances the local Fe diffusion, the existence of tensile and compressive regions around the 60∘ mixed dislocation results in a strong anisotropic diffusion profile with significantly faster and slower diffusivities on its tensile and compressive sides. The influences of the partial dislocations are qualitatively similar to that of the 60∘ mixed dislocation.

Culture of impure human islet fractions in the presence of alpha-1 antitrypsin prevents insulin cleavage and improves islet recovery.

PubMed

Loganathan, G; Dawra, R K; Pugazhenthi, S; Wiseman, A C; Sanders, M A; Saluja, A K; Sutherland, D E R; Hering, B J; Balamurugan, A N

2010-01-01

Exocrine tissue is commonly cotransplanted with islets in autografting and allotransplantation of impure preparations. Proteases and insulin are released by acinar cells and islets, respectively, during pretransplantation culture and also systemically after transplantation. We hypothesized that released proteases could cleave insulin molecules and that addition of alpha-1 antitrypsin (A1AT) to impure islet cultures would block this cleavage, improving islet recovery and function. Trypsin, chymotrypsin, and elastase (TCE) activity and insulin levels were measured in culture supernates of pure (n = 5) and impure (n = 5) islet fractions, which were isolated from deceased donors. Sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) was used to detect insulin after incubation with proteases. We assessed the effects of A1AT supplementation (0.5 mg/mL; n = 4] on TCE activity, insulin levels, culture recovery, and islet quality. The ultrastructure of islets exposed to TCE versus control medium was examined using electron microscopy (EM). Protease (TCE) activity in culture supernatants was indirectly proportional to the percentage purity of islets: pure, impure, or highly impure. Increasingly lower levels of insulin were detected in culture supernatants when higher protease activity levels were present. Insulin levels measured from supernatants of impure and highly impure islet preparations were 61 +/- 23.7% and 34 +/- 33% of that in pure preparations, respectively. Incubation with commercially available proteases (TCE) or exocrine acinar cell supernatant cleaved insulin molecules as assessed using SDS-PAGE. Addition of A1AT to impure islet preparations reduced protease activity and restored normal insulin levels as detected using enzyme-linked immunosorbent assay (ELISA) and SDS-PAGE of culture supernates. A1AT improved insulin levels to 98% +/- 1.3% in impure and 78% +/- 34.2% in highly impure fractions compared with pure islet fractions. A1AT supplementation improved postculture recovery of islets in impure preparations compared with nontreated controls (72% +/- 9% vs 47% +/- 15%). Islet viability as measured using membrane integrity assays was similar in both the control (98% +/- 2%) and the A1AT-treated groups (99% +/- 1%). EM results revealed a reduction or absence of secretory granules after exposure to proteases (TCE). Culture of impure human islet fractions in the presence of A1AT prevented insulin cleavage and improved islet recovery. A1AT supplementation of islet culture media, therefore, may increase the proportion of human islet products that meet release criteria for transplantation. Copyright 2010 Elsevier Inc. All rights reserved.

Impact of the impurity seeding for divertor protection on the performance of fusion reactors

NASA Astrophysics Data System (ADS)

Siccinio, Mattia; Fable, Emiliano; Angioni, Clemente; Saarelma, Samuli; Scarabosio, Andrea; Zohm, Hartmut

2017-10-01

A 0D divertor and scrape-off layer (SOL) model has been coupled to the 1.5D core transport code ASTRA. The resulting numerical tool has been employed for various parameter scans in order to identify the most convenient choices for the operation of electricity producing fusion devices with seeded impurities for the divertor protection. In particular, the repercussions of such radiative species on the main plasma through the fuel dilution have been taken into account. The main result we found is that, when the limits on the maximum tolerable divertor heat flux are enforced, the curves at constant electrical power output are closed on themselves in the R-BT plane, i.e. no improvement would descend from a further increase of R or BT once the maximum has been reached. This occurrence appears as an intrinsic physical limit for all devices where a radiative SOL is needed to deal with the power exhaust. Furthermore, the relative importance of the different power loss channels (e.g. hydrogen radiation, charge exchange, perpendicular transport and impurity radiation), through which the power entering the SOL is dissipated before reaching the target plate, is investigated with our model.

[Impurity removal technology of Tongan injection in liquid preparation process].

PubMed

Yang, Xu-fang; Wang, Xiu-hai; Bai, Wei-rong; Kang, Xiao-dong; Liu, Jun-chao; Wu, Yun; Xiao, Wei

2015-08-01

In order to effectively remove the invalid impurities in Tongan injection, optimize the optimal parameters of the impurity removal technology of liquid mixing process, in this paper, taking Tongan injection as the research object, with the contents of celandine alkali, and sinomenine, solids reduction efficiency, and related substances inspection as the evaluation indexes, the removal of impurities and related substances by the combined process of refrigeration, coction and activated carbon adsorption were investigated, the feasibility of the impurity removal method was definited and the process parameters were optimized. The optimized process parameters were as follows: refrigerated for 36 h, boiled for 15 min, activated carbon dosage of 0.3%, temperature 100 degrees C, adsorption time 10 min. It can effectively remove the tannin, and other impurities, thus ensure the quality and safety of products.

Electric field induced optical gain of a hydrogenic impurity in a Cd{sub 0.8}Zn{sub 0.2}Se/ZnSe parabolic quantum dot

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jasmine, P. Christina Lily; Peter, A. John, E-mail: a.john.peter@gmail.com

The dependence of electric field on the electronic and optical properties is investigated in a Cd{sub 0.8}Zn{sub 0.2}Se/ZnSe quantum dot. The hydrogenic binding energy, in the presence of electric field, is calculated with the spatial confinement effect. The electric field dependent optical gain with the photon energy is found using compact density matrix method. The results show that the electric field has a great influence on the optical properties of II-VI semiconductor quantum dot.

TOPICAL REVIEW: The doping process and dopant characteristics of GaN

NASA Astrophysics Data System (ADS)

Sheu, J. K.; Chi, G. C.

2002-06-01

The characteristic effects of doping with impurities such as Si, Ge, Se, O, Mg, Be, and Zn on the electrical and optical properties of GaN-based materials are reviewed. In addition, the roles of unintentionally introduced impurities, such as C, H, and O, and grown-in defects, such as vacancy and antisite point defects, are also discussed. The doping process during epitaxial growth of GaN, AlGaN, InGaN, and their superlattice structures is described. Doping using the diffusion process and ion implantation techniques is also discussed. A p-n junction formed by Si implantation into p-type GaN is successfully fabricated. The results on crystal structure, electrical resistivity, carrier mobility, and optical spectra obtained by means of x-rays, low-temperature Hall measurements, and photoluminescence are also discussed.

Defect related electrical and optical properties of AlN bulk crystals grown by physical vapor transport

NASA Astrophysics Data System (ADS)

Irmscher, Klaus

AlN crystallizes thermodynamically stable in the wurtzite structure and possesses a direct band gap of about 6 eV. It is the ideal substrate for the epitaxial growth of Al-rich AlxGa1-xN films that enable deep ultraviolet (UV) emitters. Appropriate AlN bulk crystals can be grown by physical vapor transport (PVT). Besides high structural perfection, such substrate crystals should be highly UV transparent and ideally, electrically conductive. It is well known that point defects like impurities and intrinsic defects may introduce electronic energy levels within the bandgap, which lead to additional optical absorption or electrical compensation. Among the impurities, which may be incorporated into the AlN crystals during PVT growth at well above 2000 ° C, oxygen, carbon, and silicon play the major role. Based on our own experimental data as well as on experimental and theoretical results reported in literature, we discuss energy levels, charge states and possible negative-U behavior of these impurities and of vacancy-type defects. In particular, we develop a model that explains the absorption behavior of the crystals in dependence on the Fermi level that can be controlled by the growth conditions, including intentional doping. Further, we pay attention on spectroscopic investigations giving direct evidence for the chemical nature and atomic arrangement of the involved point defects. As examples local vibrational mode (LVM) spectroscopy of carbon related defects and recent reports of electron paramagnetic resonance (EPR) spectroscopy are discussed.

A study of metalized electrode self-clearing in electroactive polymer (EAP) based actuators

NASA Astrophysics Data System (ADS)

Ahmed, Saad; Ounaies, Zoubeida

2016-04-01

Electroactive polymer (EAP) based technologies have shown promise in areas such as artificial muscles, actuator, aerospace, medical and soft robotics. Still challenges remain such as low induced forces and defects-driven electrical breakdown, which impede the practical implementation of this technology. Multilayered or stacked configuration can address the low induced force issue whereas self-clearing can be a technique to improve breakdown limit of EAP based actuators. Self-clearing refers to the partial local breakdown of dielectric medium due to the presence of impurities, which in turn results in the evaporation of some of the metalized electrode. After this evaporation, the impurity is cleared and any current path would be safely cut off, which means the actuator continues to perform. It is a widely studied concept in the capacitor community, while it has not been studied much for EAP technologies. In this paper we report a systematic approach to precondition a silver-metalized electroactive polymer (EAP), more specifically P(VDF-TrFE-CTFE) terpolymer, using self-clearing concept. First, we show improvement in the dielectric breakdown strength of EAP based unimorph actuators after pre-clearing the impurities using low electric field (lower than dielectric breakdown of the terpolymer). Inspired by this improvement, we used Weibull statistics to systematically estimate the self-clearing/ preconditioning field needed to clear the defects. Then electrical breakdown experiments are conducted with and without preconditioning the samples to investigate its effect on the breakdown strength of the sample.

Non-destructive reversible resistive switching in Cr doped Mott insulator Ca2RuO4: Interface vs bulk effects

NASA Astrophysics Data System (ADS)

Shen, Shida; Williamson, Morgan; Cao, Gang; Zhou, Jianshi; Goodenough, John; Tsoi, Maxim

2017-12-01

A non-destructive reversible resistive switching is demonstrated in single crystals of Cr-doped Mott insulator Ca2RuO4. An applied electrical bias was shown to reduce the DC resistance of the crystal by as much as 75%. The original resistance of the sample could be restored by applying an electrical bias of opposite polarity. We have studied this resistive switching as a function of the bias strength, applied magnetic field, and temperature. A combination of 2-, 3-, and 4-probe measurements provide a means to distinguish between bulk and interfacial contributions to the switching and suggests that the switching is mostly an interfacial effect. The switching was tentatively attributed to electric-field driven lattice distortions which accompany the impurity-induced Mott transition. This field effect was confirmed by temperature-dependent resistivity measurements which show that the activation energy of this material can be tuned by an applied DC electrical bias. The observed resistance switching can potentially be used for building non-volatile memory devices like resistive random access memory.

Performance of advanced chromium electrodes for the NASA Redox Energy Storage System

NASA Technical Reports Server (NTRS)

Gahn, R. F.; Charleston, J.; Ling, J. S.; Reid, M. A.

1981-01-01

Chromium electrodes were prepared for the NASA Redox Storage System with meet the performance requirements for solar-photovoltaic, wind-turbine and electric utility applications. Gold-lead catalyzed carbon felt electrodes up tp 930 sq cm were fabricated and tested in single cells and multicell stacks for hydrogen evolution, coulombic efficiency, catalyst stability and electrochemical activity. Factors which affect the overall performance of a particular electrode include the carbon felt lot, the cleaning treatment and the gold catalyzation method. Effects of the chromium solution chemistry and impurities on charge/discharge performance are also presented.

CdZnTe substrate impurities and their effects on liquid phase epitaxy HgCdTe

NASA Astrophysics Data System (ADS)

Tower, J. P.; Tobin, S. P.; Kestigian, M.; Norton, P. W.; Bollong, A. B.; Schaake, H. F.; Ard, C. K.

1995-05-01

Impurity levels were tracked through the stages of substrate and liquid phase epitaxy (LPE) layer processing to identify sources of elements which degrade infrared photodetector performance. Chemical analysis by glow discharge mass spectrometry and Zeeman corrected graphite furnace atomic absorption effectively showed the levels of impurities introduced into CdZnTe substrate material from the raw materials and the crystal growth processes. A new purification process (in situ distillation zone refining) for raw materials was developed, resulting in improved CdZnTe substrate purity. Substrate copper contamination was found to degrade the LPE layer and device electrical properties, in the case of lightly doped HgCdTe. Anomalous HgCdTe carrier type conversion was correlated to certain CdZnTe and CdTe substrate ingots.

Hydrodynamic Model for Conductivity in Graphene

PubMed Central

Mendoza, M.; Herrmann, H. J.; Succi, S.

2013-01-01

Based on the recently developed picture of an electronic ideal relativistic fluid at the Dirac point, we present an analytical model for the conductivity in graphene that is able to describe the linear dependence on the carrier density and the existence of a minimum conductivity. The model treats impurities as submerged rigid obstacles, forming a disordered medium through which graphene electrons flow, in close analogy with classical fluid dynamics. To describe the minimum conductivity, we take into account the additional carrier density induced by the impurities in the sample. The model, which predicts the conductivity as a function of the impurity fraction of the sample, is supported by extensive simulations for different values of ε, the dimensionless strength of the electric field, and provides excellent agreement with experimental data. PMID:23316277

Neoclassical impurity transport in stellarator geometry

NASA Astrophysics Data System (ADS)

García-Regaña, J. M.; Beidler, C. D.; Kleiber, R.; Turkin, Y.; Maaßberg, H.; Helander, P.; Kauffmann, K.

2012-03-01

The appearance of a (neoclassical) inward radial electric field in stellarators is known to cause, under certain plasma conditions, the accumulation of impurities in the core, and sometimes the subsequent plasma radiative collapse. Quantitatively neoclassical theory has barely covered the impurity transport due to the conventional neglect of the assumed first order electrostatic potential and density, φ1 and n1 respectively, in the drift kinetic ordering. This practice, which ignores the fulfilment of the quasi-neutrality condition, carries intrinsically the assumption Z|e|φ1/kBT1, with Z the atomic number, |e| the unit charge, kB the Boltzmann constant and T the temperature. This inequality, valid for the bulk plasma, is violated by high Z impurities. In this work the δf PIC Monte Carlo code EUTERPE [1] together with the GSRAKE code [2] are used to obtain the first numerical output of neoclassical impurity dynamics retaining φ1 and n1 in the drift kinetic equation. The case of the LHD stellarator is considered.[4pt] [1] V. Kornilov et al, Nucl. Fusion 45 238, 2005.[0pt] [2] D. Beidler and W. D. D'haeseleer, Plasma Phys. Control. Fusion 37 463, 1995.

Stability and magnetic properties of SnSe monolayer doped by transition metal atom (Mn, Fe, and Co): a first-principles study

NASA Astrophysics Data System (ADS)

Tang, Chao; Li, Qinwen; Zhang, Chunxiao; He, Chaoyu; Li, Jin; Ouyang, Tao; Li, Hongxing; Zhong, Jianxin

2018-06-01

Two dimensional (2D) tin selenium (SnSe) is an intriguing material with desired thermal and electric properties in nanoelectronics. In this paper, we carry on a density functional theory study on the stability and dilute magnetism of the 3d TM (Mn, Fe, and Co) doped 2D SnSe. Both the adsorption and substitution are in consideration here. We find that all the defects are electrically active and the cation substitutional doping (TM@Sn) is energetically favorable. The TM@Sn prefers to act as accepters and exhibits high-spin state with nonzero magnetic moment. The magnetic moment is mainly contributed by the spin-polarized charge density of the TM impurities. The magnetism is determined by the arrangement of the TM-3d orbitals, which is the result of the crystal field splitting and spin exchange splitting under specific symmetry. The magnetic and electronic properties of the TM@Sn are effectively modulated by external electric field (Eext) and charge doping. The Eext shifts the TM impurities relative to the SnSe host and then modifies the crystal field splitting. In particular, the magnetic moment is sensitive to the Eext in the Fe@Sn because the Eext induces distinct structure transformation. Based on the formation energy, doping electrons is a viable way to modulate the magnetic moment of TM@Sn. Doping electrons shift the 3d states towards low energy level, which induces the occupation of more 3d states and then the reduction of magnetism. These results render SnSe monolayer a promising 2D material for applications in future spintronics.

Coaxial carbon plasma gun deposition of amorphous carbon films

NASA Technical Reports Server (NTRS)

Sater, D. M.; Gulino, D. A.; Rutledge, S. K.

1984-01-01

A unique plasma gun employing coaxial carbon electrodes was used in an attempt to deposit thin films of amorphous diamond-like carbon. A number of different structural, compositional, and electrical characterization techniques were used to characterize these films. These included scanning electron microscopy, scanning transmission electron microscopy, X ray diffraction and absorption, spectrographic analysis, energy dispersive spectroscopy, and selected area electron diffraction. Optical absorption and electrical resistivity measurements were also performed. The films were determined to be primarily amorphous, with poor adhesion to fused silica substrates. Many inclusions of particulates were found to be present as well. Analysis of these particulates revealed the presence of trace impurities, such as Fe and Cu, which were also found in the graphite electrode material. The electrodes were the source of these impurities. No evidence of diamond-like crystallite structure was found in any of the film samples. Details of the apparatus, experimental procedure, and film characteristics are presented.

Defects in Arsenic Implanted p + -n- and n + -p- Structures Based on MBE Grown CdHgTe Films

NASA Astrophysics Data System (ADS)

Izhnin, I. I.; Fitsych, E. I.; Voitsekhovskii, A. V.; Korotaev, A. G.; Mynbaev, K. D.; Varavin, V. S.; Dvoretsky, S. A.; Mikhailov, N. N.; Yakushev, M. V.; Bonchyk, A. Yu.; Savytskyy, H. V.; Świątek, Z.

2018-02-01

Complex studies of the defect structure of arsenic-implanted (with the energy of 190 keV) Cd x Hg 1-x Te ( x = 0.22) films grown by molecular-beam epitaxy are carried out. The investigations were performed using secondary-ion mass spectroscopy, transmission electron microscopy, optical reflection in the visible region of the spectrum, and electrical measurements. Radiation donor defects were studied in n +- p- and n +- n-structures obtained by implantation and formed on the basis of p-type and n-type materials, respectively, without activation annealing. It is shown that in the layer of the distribution of implanted ions, a layer of large extended defects with low density is formed in the near-surface region followed by a layer of smaller extended defects with larger density. A different character of accumulation of electrically active donor defects in the films with and without a protective graded-gap surface layer has been revealed. It is demonstrated that p +- n- structures are formed on the basis of n-type material upon activation of arsenic in the process of postimplantation thermal annealing with 100% activation of impurity and complete annihilation of radiation donor defects.

Quasiclassical description of the nearest-neighbor hopping dc conduction via hydrogen-like donors in intermediately compensated GaAs crystals

NASA Astrophysics Data System (ADS)

Poklonski, N. A.; Vyrko, S. A.; Zabrodskii, A. G.

2010-08-01

Expressions for the pre-exponential factor σ3 and the thermal activation energy ɛ3 of hopping electric conductivity of electrons via hydrogen-like donors in n-type gallium arsenide are obtained in the quasiclassical approximation. Crystals with the donor concentration N and the acceptor concentration KN at the intermediate compensation ratio K (approximately from 0.25 to 0.75) are considered. We assume that the donors in the charge states (0) and (+1) and the acceptors in the charge state (-1) form a joint nonstoichiometric simple cubic 'sublattice' within the crystalline matrix. In such sublattice the distance between nearest impurity atoms is Rh = [(1 + K)N]-1/3 which is also the length of an electron hop between donors. To take into account orientational disorder of hops we assume that the impurity sublattice randomly and smoothly changes orientation inside a macroscopic sample. Values of σ3(N) and ɛ3(N) calculated for the temperature of 2.5 K agree with known experimental data at the insulator side of the insulator-metal phase transition.

The characteristics of electrical trees in the inner and outer layers of different voltage rating XLPE cable insulation

NASA Astrophysics Data System (ADS)

Xie, Ansheng; Li, Shengtao; Zheng, Xiaoquan; Chen, George

2009-06-01

The statistical initiation and propagation characteristics of electrical trees in cross-linked polyethylene (XLPE) cables with different voltage ratings from 66 to 500 kV were investigated under a constant test voltage of 50 Hz/7 kV (the 66 kV rating cable is from UK, the others from China). It was found that the characteristics of electrical trees in the inner region of 66 kV cable insulation differed considerably from those in the outer region under the same test conditions; however, no significant differences appeared in the 110 kV rating cable and above. The initiation time of electrical trees in both the inner and the outer regions of the 66 kV cable is much shorter than that in higher voltage rating cables; in addition the growth rate of electrical trees in the 66 kV cable is much larger than that in the higher voltage rating cables. By using x-ray diffraction, differential scanning calorimetry and thermogravimetry methods, it was revealed that besides the extrusion process, the molecular weight of base polymer material and its distribution are the prime factors deciding the crystallization state. The crystallization state and the impurity content are responsible for the resistance to electrical trees. Furthermore, it was proposed that big spherulites will cooperate with high impurity content in enhancing the initiation and growth processes of electrical trees via the 'synergetic effect'. Finally, dense and small spherulites, high crystallinity, high purity level of base polymer material and super-clean production processes are desirable for higher voltage rating cables.

Impurity effect of iron(III) on the growth of potassium sulfate crystal in aqueous solution

NASA Astrophysics Data System (ADS)

Kubota, Noriaki; Katagiri, Ken-ichi; Yokota, Masaaki; Sato, Akira; Yashiro, Hitoshi; Itai, Kazuyoshi

1999-01-01

Growth rates of the {1 1 0} faces of a potassium sulfate crystal were measured in a flow cell in the presence of traces of impurity Fe(III) (up to 2 ppm) over the range of pH=2.5-6.0. The growth rate was significantly suppressed by the impurity. The effect became stronger as the impurity concentration was increased and at pH<5. It became weaker with increasing supersaturation. It also became weaker as the pH was increased and at pH>5 it finally disappeared completely. The concentration and supersaturation effects on the impurity action were reasonably explained with a model proposed by Kubota and Mullin [J. Crystal Growth, 152 (1995) 203]. The surface coverage of the active sites by Fe(III) is estimated to increase linearly on increasing its concentration in solution in the range examined by growth experiments. The impurity effectiveness factor is confirmed to increase inversely proportional to the supersaturation as predicted by the model. Apart from the discussion based on the model, the pH effect on the impurity action is qualitatively explained by assuming that the first hydrolysis product of aqua Fe(III) complex compound, [Fe(H 2O) 5(OH)] 2+, is both growth suppression and adsorption active, but the second hydrolysis product, [Fe(H 2O) 4(OH) 2] +, is only adsorption active.

Translations on Environmental Quality, Number 176

DTIC Science & Technology

1978-08-21

impurities, which considerably reduces the production areas occupied by purification installations as a result of the compactness of the flotation ...industrial wastes such as [phosphogin], pyrite gas, ash from thermal electric power stations, slag from nonferrous and ferrous metallurgy and wastes

Trace impurities analysis determined by neutron activation in the PbI 2 crystal semiconductor

NASA Astrophysics Data System (ADS)

Hamada, M. M.; Oliveira, I. B.; Armelin, M. J.; Mesquita, C. H.

2003-06-01

In this work, a methodology for impurity analysis of PbI 2 was studied to investigate the effectiveness of the purification. Commercial salts were purified by the multi passes zone refining and grown by the Bridgman method. To evaluate the purification efficiency, samples from the bottom, middle and upper sections of the ZR ingot were analyzed after 200, 300 and 500 purification passes, by measurements of the impurity concentrations, using the neutron activation analysis (NAA) technique. There was a significant reduction of the impurities according to the purification numbers. The reduction efficiency was different for each element, namely: Au>Mn>Co˜Ag>K˜Br. The impurity concentration of the crystals grown after 200, 300 and 500 passes and the PbI 2 starting material were analyzed by NAA and plasma optical emission spectroscopy.

Characterization of irradiation induced deep and shallow impurities

NASA Astrophysics Data System (ADS)

Treberspurg, Wolfgang; Bergauer, Thomas; Dragicevic, Marko; Krammer, Manfred; Valentan, Manfred

2013-12-01

Silicon Detectors close to the interaction point of the High Luminosity Large Hardron Collider (HL-LHC) have to withstand a harsh irradiation environment. In order to evaluate the behaviour of shallow and deep defects, induced by neutron irradiation, spreading resistance resistivity measurements and capacitance voltage measurements have been performed. These measurements, deliver information about the profile of shallow impurities after irradiation as well as indications of deep defects in the Space Charge Region (SCR) and the Electrical Neutral Bulk (ENB). By considering the theoretical background of the measurement both kinds of defects can be investigated independently from each other.

Stark-shift of impurity fundamental state in a lens shaped quantum dot

NASA Astrophysics Data System (ADS)

Aderras, L.; Bah, A.; Feddi, E.; Dujardin, F.; Duque, C. A.

2017-05-01

We calculate the Stark effect and the polarisability of shallow-donor impurity located in the centre of lens shaped quantum dot by a variational method and in the effective-mass approximation. Our theoretical model assumes an infinite confinement to describe the barriers at the dot boundaries and the electric field is considered to be applied in the z-direction. The systematic theoretical investigation contains results with the quantum dot size and the strength of the external field. Our calculations reveal that the interval wherein the polarisability varies depends strongly on the dot size.

Discrete breathers in an electric lattice with an impurity: Birth, interaction, and death

NASA Astrophysics Data System (ADS)

Gómez-Rojas, A.; Halevi, P.

2018-02-01

We have simulated aspects of intrinsic localized modes or discrete breathers in a modulated lumped transmission line with nonlinear varactors and a defect unit cell. As the inductance or capacitance of this cell is increased, a transition from instability to stability takes place. Namely, there exist threshold values of the inductance or capacitance of a lattice impurity for a breather to be able to attach to. A resistive defect can also anchor a breather. Moreover, by either gradually lowering all the source resistances, or else increasing the modulation frequency, multiple secondary ILMs can be spontaneously generated at host sites (with only a single inductive or capacitive defect). Further, if two impurities are subcritically spaced (the separation increasing with the amplitude of the modulation voltage), a breather can pop up midway, with no breathers at the impurity sites themselves. Finally, an ILM can pull closer its neighbors on both sides, only to perish once these ILMs have gotten sufficiently close. To our knowledge, these effects have not been reported for any discrete nonlinear system.

Discrete breathers in an electric lattice with an impurity: Birth, interaction, and death.

PubMed

Gómez-Rojas, A; Halevi, P

2018-02-01

We have simulated aspects of intrinsic localized modes or discrete breathers in a modulated lumped transmission line with nonlinear varactors and a defect unit cell. As the inductance or capacitance of this cell is increased, a transition from instability to stability takes place. Namely, there exist threshold values of the inductance or capacitance of a lattice impurity for a breather to be able to attach to. A resistive defect can also anchor a breather. Moreover, by either gradually lowering all the source resistances, or else increasing the modulation frequency, multiple secondary ILMs can be spontaneously generated at host sites (with only a single inductive or capacitive defect). Further, if two impurities are subcritically spaced (the separation increasing with the amplitude of the modulation voltage), a breather can pop up midway, with no breathers at the impurity sites themselves. Finally, an ILM can pull closer its neighbors on both sides, only to perish once these ILMs have gotten sufficiently close. To our knowledge, these effects have not been reported for any discrete nonlinear system.

Probing carbon impurities in hexagonal boron nitride epilayers

NASA Astrophysics Data System (ADS)

Uddin, M. R.; Li, J.; Lin, J. Y.; Jiang, H. X.

2017-05-01

Carbon doped hexagonal boron nitride epilayers have been grown by metal organic chemical vapor deposition. Photocurrent excitation spectroscopy has been utilized to probe the energy levels associated with carbon impurities in hexagonal boron nitride (h-BN). The observed transition peaks in photocurrent excitation spectra correspond well to the energy positions of the bandgap, substitutional donors (CB, carbon impurities occupying boron sites), and substitutional acceptors (CN, carbon impurities occupying nitrogen sites). From the observed transition peak positions, the derived energy level of CB donors in h-BN is ED ˜ 0.45 eV, which agrees well with the value deduced from the temperature dependent electrical resistivity. The present study further confirms that the room temperature bandgap of h-BN is about 6.42-6.45 eV, and the CN deep acceptors have an energy level of about 2.2-2.3 eV. The results also infer that carbon doping introduces both shallow donors (CB) and deep acceptors (CN) via self-compensation, and the energy level of carbon donors appears to be too deep to enable carbon as a viable candidate as an n-type dopant in h-BN epilayers.

Oxygen Reduction Reaction Measurements on Platinum Electrocatalysts Utilizing Rotating Disk Electrode Technique: I. Impact of Impurities, Measurement Protocols and Applied Corrections

DOE PAGES

Shinozaki, Kazuma; Zack, Jason W.; Richards, Ryan M.; ...

2015-07-22

The rotating disk electrode (RDE) technique is being extensively used as a screening tool to estimate the activity of novel PEMFC electrocatalysts synthesized in lab-scale (mg) quantities. Discrepancies in measured activity attributable to glassware and electrolyte impurity levels, as well as conditioning, protocols and corrections are prevalent in the literature. Moreover, the electrochemical response to a broad spectrum of commercially sourced perchloric acid and the effect of acid molarity on impurity levels and solution resistance were also assessed. Our findings reveal that an area specific activity (SA) exceeding 2.0 mA/cm 2 (20 mV/s, 25°C, 100 kPa, 0.1 M HClO 4)more » for polished poly-Pt is an indicator of impurity levels that do not impede the accurate measurement of the ORR activity of Pt based catalysts. After exploring various conditioning protocols to approach maximum utilization of the electrochemical area (ECA) and peak ORR activity without introducing catalyst degradation, an investigation of measurement protocols for ECA and ORR activity was conducted. Down-selected protocols were based on the criteria of reproducibility, duration of experiments, impurity effects and magnitude of pseudo-capacitive background correction. In sum, statistical reproducibility of ORR activity for poly-Pt and Pt supported on high surface area carbon was demonstrated.« less

Polarization switching in undoped and La-doped TlInS2 ferroelectric-semiconductors

NASA Astrophysics Data System (ADS)

Seyidov, MirHasan Yu.; Mikailzade, Faik A.; Suleymanov, Rauf A.; Aliyeva, Vafa B.; Mammadov, Tofig G.; Sharifov, Galib M.

2017-12-01

Dielectric hysteresis loops of pure and lanthanum doped TlInS2 ferroelectric-semiconductors were studied at the frequency 50 Hz for different temperatures below the Curie temperature (Tc). It has been revealed that, without any poling procedure, pure TlInS2 exhibits normal single hysteresis loops at T < Tc. After electric field-cooled treatment of TlInS2 the shape of hysteresis loops was strongly affected by corresponding charged deep level defects which were previously activated during the poling process. As a result, an additional defect polarization state from space charges accumulated on the intrinsic deep level defects has been revealed in pure TlInS2 at the temperatures below Tc. Besides, unusual multiple hysteresis loops were observed in La doped TlInS2 at T < Tc after application of different external perturbations (electric field, exposition and memory effect) to the sample. Measurements of the hysteresis loops in TlInS2:La revealed the slim single, double and even triple polarization-electric field (P-E) hysteresis loops. This intriguing phenomenon is attributed to the domain pinning by photo- and electrically active La-impurity centers. The temperature variation of double-hysteresis loop was also investigated. Due to the heat elimination of the random local defect polar moments, the double-hysteresis loops were transformed into a normal single hysteresis loops on increasing the temperature.

Deposition of dopant impurities and pulsed energy drive-in

DOEpatents

Wickboldt, Paul; Carey, Paul G.; Smith, Patrick M.; Ellingboe, Albert R.

2008-01-01

A semiconductor doping process which enhances the dopant incorporation achievable using the Gas Immersion Laser Doping (GILD) technique. The enhanced doping is achieved by first depositing a thin layer of dopant atoms on a semiconductor surface followed by exposure to one or more pulses from either a laser or an ion-beam which melt a portion of the semiconductor to a desired depth, thus causing the dopant atoms to be incorporated into the molten region. After the molten region recrystallizes the dopant atoms are electrically active. The dopant atoms are deposited by plasma enhanced chemical vapor deposition (PECVD) or other known deposition techniques.

Deposition of dopant impurities and pulsed energy drive-in

DOEpatents

Wickboldt, Paul; Carey, Paul G.; Smith, Patrick M.; Ellingboe, Albert R.

1999-01-01

A semiconductor doping process which enhances the dopant incorporation achievable using the Gas Immersion Laser Doping (GILD) technique. The enhanced doping is achieved by first depositing a thin layer of dopant atoms on a semiconductor surface followed by exposure to one or more pulses from either a laser or an ion-beam which melt a portion of the semiconductor to a desired depth, thus causing the dopant atoms to be incorporated into the molten region. After the molten region recrystallizes the dopant atoms are electrically active. The dopant atoms are deposited by plasma enhanced chemical vapor deposition (PECVD) or other known deposition techniques.

Deposition of dopant impurities and pulsed energy drive-in

DOEpatents

Wickboldt, P.; Carey, P.G.; Smith, P.M.; Ellingboe, A.R.

1999-06-29

A semiconductor doping process which enhances the dopant incorporation achievable using the Gas Immersion Laser Doping (GILD) technique is disclosed. The enhanced doping is achieved by first depositing a thin layer of dopant atoms on a semiconductor surface followed by exposure to one or more pulses from either a laser or an ion-beam which melt a portion of the semiconductor to a desired depth, thus causing the dopant atoms to be incorporated into the molten region. After the molten region recrystallizes the dopant atoms are electrically active. The dopant atoms are deposited by plasma enhanced chemical vapor deposition (PECVD) or other known deposition techniques. 2 figs.

Alternating gradient photodetector

NASA Technical Reports Server (NTRS)

Overhauser, Albert W. (Inventor); Maserjian, Joseph (Inventor)

1989-01-01

A far infrared (FIR) range responsive photodetector is disclosed. There is a substrate of degenerate germanium. A plurality of alternating impurity-band and high resistivity layers of germanium are disposed on the substrate. The impurity-band layers have a doping concentration therein sufficiently high to include donor bands which can release electrons upon impingement by FIR photons of energy hv greater than an energy gap epsilon. The high resistivity layers have a doping concentration therein sufficiently low as to not include conducting donor bands and are depleted of electrons. Metal contacts are provided for applying an electrical field across the substrate and the plurality of layers. In the preferred embodiment as shown, the substrate is degenerate n-type (N++) germanium; the impurity-band layers are n+ layers of germanium doped to approximately the low 10(exp 16)/cu cm range; and, the high resistivity layers are n-layers of germanium doped to a maximum of approximately 10(exp)/cu cm. Additionally, the impurity-band layers have a thickness less than a conduction-electron diffusion length in germanium and likely to be in the range of 0.1 to 1.0 micron, the plurality of impurity-bands is of a number such that the flux of FIR photons passing therethrough will be substantially totally absorbed therein, the thickness of the high resistivity layers is such compared to the voltage applied that the voltage drop in each the high resistivity layers controls the occurence of impact ionization in the impurity-band layers to a desired level.

Water Oxidation Catalysis by Co(II) Impurities in Co(III) 4O 4 Cubanes

DOE PAGES

Ullman, Andrew M.; Liu, Yi; Huynh, Michael; ...

2014-11-18

Here, the observed water oxidation activity of the compound class Co 4O 4(OAc) 4(Py–X) 4 emanates from a Co(II) impurity. This impurity is oxidized to produce the well-known Co-OEC heterogeneous cobaltate catalyst, which is an active water oxidation catalyst. We present results from electron paramagnetic resonance spectroscopy, nuclear magnetic resonance line broadening analysis, and electrochemical titrations to establish the existence of the Co(II) impurity as the major source of water oxidation activity that has been reported for Co 4O 4 molecular cubanes. Differential electrochemical mass spectrometry is used to characterize the fate of glassy carbon at water oxidizing potentials andmore » demonstrate that such electrode materials should be used with caution for the study of water oxidation catalysis.« less

Rapid thermal anneal in InP, GaAs and GaAs/GaAlAs

NASA Astrophysics Data System (ADS)

Descouts, B.; Duhamel, N.; Godefroy, S.; Krauz, P.

Ion implantation in semiconductors provides a doping technique with several advantages over more conventional doping methods and is now extensively used for device applications, e.g. field effect transistors (MESFET GaAs, MIS (InP), GaAs/GaAlAs heterojunction bipolar transistors (HBT). Because of the lattice disorder produced by the implantation, the dopant must be made electrically active by a postimplant anneal. As the device performances are very dependent on its electrical characteristics, the anneal is a very important stage of the process. Rapid anneal is known to provide less exodiffusion and less induffusion of impurities compared to conventional furnace anneal, so this technique has been used in this work to activate an n-type dopant (Si) in InP and a p-type dopant (Mg) in GaAs and GaAs/GaAIAs. These two ions have been chosen to realize implanted MIS InP and the base contacts for GaAs/GaAlAs HBTs. The experimental conditions to obtain the maximum electrical activity in these two cases will be detailed. For example, although we have not been able to obtain a flat profile in Mg + implanted GaAs/GaAlAs heterostructure by conventional thermal anneal, rapid thermal anneal gives a flat hole profile over a depth of 0.5 μm with a concentration of 1 x 10 19 cm -3.

Low cost silicon solar array project silicon materials task: Establishment of the feasibility of a process capable of low-cost, high volume production of silane (step 1) and the pyrolysis of silane to semiconductor-grade silicon (step 2)

NASA Technical Reports Server (NTRS)

Breneman, W. C.; Cheung, H.; Farrier, E. G.; Morihara, H.

1977-01-01

A quartz fluid bed reactor capable of operating at temperatures of up to 1000 C was designed, constructed, and successfully operated. During a 30 minute experiment, silane was decomposed within the reactor with no pyrolysis occurring on the reactor wall or on the gas injection system. A hammer mill/roller-crusher system appeared to be the most practical method for producing seed material from bulk silicon. No measurable impurities were detected in the silicon powder produced by the free space reactor, using the cathode layer emission spectroscopic technique. Impurity concentration followed by emission spectroscopic examination of the residue indicated a total impurity level of 2 micrograms/gram. A pellet cast from this powder had an electrical resistivity of 35 to 45 ohm-cm and P-type conductivity.

Low-temperature thermoelectric power factor enhancement by controlling nanoparticle size distribution.

PubMed

Zebarjadi, Mona; Esfarjani, Keivan; Bian, Zhixi; Shakouri, Ali

2011-01-12

Coherent potential approximation is used to study the effect of adding doped spherical nanoparticles inside a host matrix on the thermoelectric properties. This takes into account electron multiple scatterings that are important in samples with relatively high volume fraction of nanoparticles (>1%). We show that with large fraction of uniform small size nanoparticles (∼1 nm), the power factor can be enhanced significantly. The improvement could be large (up to 450% for GaAs) especially at low temperatures when the mobility is limited by impurity or nanoparticle scattering. The advantage of doping via embedded nanoparticles compared to the conventional shallow impurities is quantified. At the optimum thermoelectric power factor, the electrical conductivity of the nanoparticle-doped material is larger than that of impurity-doped one at the studied temperature range (50-500 K) whereas the Seebeck coefficient of the nanoparticle doped material is enhanced only at low temperatures (∼50 K).

Zero bias thermally stimulated currents in synthetic diamond

NASA Astrophysics Data System (ADS)

Mori, R.; Miglio, S.; Bruzzi, M.; Bogani, F.; De Sio, A.; Pace, E.

2009-06-01

Zero bias thermally stimulated currents (ZBTSCs) have been observed in single crystal high pressure high temperature (HPHT) and polycrystalline chemical vapor deposited (pCVD) diamond films. The ZBTSC technique is characterized by an increased sensitivity with respect to a standard TSC analysis. Due to the absence of the thermally activated background current, new TSC peaks have been observed in both HPHT and pCVD diamond films, related to shallow activation energies usually obscured by the emission of the dominant impurities. The ZBTSC peaks are explained in terms of defect discharge in the nonequilibrium potential distribution created by a nonuniform traps filling at the metal-diamond junctions. The electric field due to the charged defects has been estimated in a quasizero bias TSC experiment by applying an external bias.

Projector Augmented-Wave formulation of response to strain and electric field perturbation within the density-functional perturbation theory

NASA Astrophysics Data System (ADS)

Martin, Alexandre; Torrent, Marc; Caracas, Razvan

2015-03-01

A formulation of the response of a system to strain and electric field perturbations in the pseudopotential-based density functional perturbation theory (DFPT) has been proposed by D.R Hamman and co-workers. It uses an elegant formalism based on the expression of DFT total energy in reduced coordinates, the key quantity being the metric tensor and its first and second derivatives. We propose to extend this formulation to the Projector Augmented-Wave approach (PAW). In this context, we express the full elastic tensor including the clamped-atom tensor, the atomic-relaxation contributions (internal stresses) and the response to electric field change (piezoelectric tensor and effective charges). With this we are able to compute the elastic tensor for all materials (metals and insulators) within a fully analytical formulation. The comparison with finite differences calculations on simple systems shows an excellent agreement. This formalism has been implemented in the plane-wave based DFT ABINIT code. We apply it to the computation of elastic properties and seismic-wave velocities of iron with impurity elements. By analogy with the materials contained in meteorites, tested impurities are light elements (H, O, C, S, Si).

Characterization of PVT Grown ZnSe by Low Temperature Photoluminescence

NASA Technical Reports Server (NTRS)

Wang, Ling Jun

1998-01-01

ZnSe, a II-VI semiconductor with a large direct band gap of 2.7 eV at room temperature and 2.82 eV at 10 K, is considered a promising material for optoelectric applications in the blue-green region of the spectrum. Photoemitting devices and diode laser action has been demonstrated as a result of decades of research. A key issue in the development of II-VI semiconductors is the control of the concentration of the various impurities. The II-VI semiconductors seem to defy the effort of high level doping due to the well known self compensation of the donors and the acceptors. A good understanding of roles of the impurities and the behavior of the various intrinsic defects such as vacancies, interstitials and their complexes with impurities is necessary in the development and application of these materials. Persistent impurities such as Li and Cu have long played a central role in the photoelectronic properties of many II-VI compounds, particularly ZnSe. The shallow centers which may promote useful electrical conductivity are of particular interest. They contribute the richly structured near gap edge luminescence, containing weak to moderate phonon coupling and therefore very accessible information about the energy states of the different centers. Significance of those residual impurities which may contribute such centers in II-VI semiconductors must be fully appreciated before improved control of their electrical properties may be possible. Low temperature photoluminescence spectroscopy is an important source of information and a useful tool of characterization of II-VI semiconductors such as ZnSe. The low temperature photoluminescence spectrum of a ZnSe single crystal typically consists of a broad band emission peaking at 2.34 eV, known as the Cu-green band, and some very sharp lines near the band gap. These bands and lines are used to identify the impurity ingredients and the defects. The assessment of the quality of the crystal based on the photoluminescence analysis is then possible. In this report we present the characterization of a ZnSe single crystal as grown by the physical vapor transport method, with special intention paid to the possible effects of the gravitational field to the growth of the crystal.

Classical confinement and outward convection of impurity ions in the MST RFP

NASA Astrophysics Data System (ADS)

Kumar, S. T. A.; Den Hartog, D. J.; Mirnov, V. V.; Caspary, K. J.; Magee, R. M.; Brower, D. L.; Chapman, B. E.; Craig, D.; Ding, W. X.; Eilerman, S.; Fiksel, G.; Lin, L.; Nornberg, M.; Parke, E.; Reusch, J. A.; Sarff, J. S.

2012-05-01

Impurity ion dynamics measured with simultaneously high spatial and temporal resolution reveal classical ion transport in the reversed-field pinch. The boron, carbon, oxygen, and aluminum impurity ion density profiles are obtained in the Madison Symmetric Torus [R. N. Dexter et al., Fusion Technol. 19, 131 (1991)] using a fast, active charge-exchange-recombination-spectroscopy diagnostic. Measurements are made during improved-confinement plasmas obtained using inductive control of tearing instability to mitigate stochastic transport. At the onset of the transition to improved confinement, the impurity ion density profile becomes hollow, with a slow decay in the core region concurrent with an increase in the outer region, implying an outward convection of impurities. Impurity transport from Coulomb collisions in the reversed-field pinch is classical for all collisionality regimes, and analysis shows that the observed hollow profile and outward convection can be explained by the classical temperature screening mechanism. The profile agrees well with classical expectations. Experiments performed with impurity pellet injection provide further evidence for classical impurity ion confinement.

A computational study on tuning the field emission and electronic properties of BN nanocones by impurity atom doping

NASA Astrophysics Data System (ADS)

Ahmadi, S.; Delir Kheirollahi Nezhad, P.; Hosseinian, A.; Vessally, E.

2018-06-01

We have inspected the effect of substituting a boron or nitrogen atom of a BN nanocone (BNNC) by two impurity atoms with lower and higher atomic numbers based on the density functional theory calculations. Our results explain the experimental observations in a molecular level. Orbital and partial density of states analyses show that the doping processes increase the electrical conductivity by creating new states within the gap of BNNC as follows: BeB > ON > CB > CN. The electron emission current from the surface of BNNC is improved after the CB and BeB dopings, and it is decreased by CN and ON dopings. The BeB and CN dopings make the BNNC a p-type semiconductor and the CB and ON dopings make it an n-type one in good agreement with the experimental results. The ON and BeB doping processes are suggested for the field emission current, and electrical conductivity enhancement, respectively.

Laterally coupled circular quantum dots under applied electric field

NASA Astrophysics Data System (ADS)

Duque, C. M.; Correa, J. D.; Morales, A. L.; Mora-Ramos, M. E.; Duque, C. A.

2016-03-01

The optical response of a system of two laterally coupled quantum dots with circular cross-sectional shape is investigated within the effective mass approximation, taking into account the effects of the change in the geometrical configuration, the application of an external static electric field, and the presence of a donor impurity center. The first-order dielectric susceptibility is calculated in order to derive the corresponding light absorption and relative refractive index coefficients. The possibility of tuning these optical properties by means of changes in the quantum dot symmetry and the electric field intensity is particularly discussed.

Nonlinear optical response in a zincblende GaN cylindrical quantum dot with donor impurity center

NASA Astrophysics Data System (ADS)

Hoyos, Jaime H.; Correa, J. D.; Mora-Ramos, M. E.; Duque, C. A.

2016-03-01

We calculate the nonlinear optical absorption coefficient of a cylindrical zincblende GaN-based quantum dot. For this purpose, we consider Coulomb interactions between electrons and an impurity ionized donor atom. The electron-donor-impurity spectrum and the associated quantum states are calculated using the effective mass approximation with a parabolic potential energy model describing both the radial and axial electron confinement. We also include the effects of the hydrostatic pressure and external electrostatic fields. The energy spectrum is obtained through an expansion of the eigenstates as a linear combination of Gaussian-type functions which reduces the computational effort since all the matrix elements are obtained analytically. Therefore, the numerical problem is reduced to the direct diagonalization of the Hamiltonian. The obtained energies are used in the evaluation of the dielectric susceptibility and the nonlinear optical absorption coefficient within a modified two-level approach in a rotating wave approximation. This quantity is investigated as a function of the quantum dot dimensions, the impurity position, the external electric field intensity and the hydrostatic pressure. The results of this research could be important in the design and fabrication of zincblende GaN-quantum-dot-based electro-optical devices.

Synthesis and optical properties of Co2+-doped ZnO Network prepared by new precursors

NASA Astrophysics Data System (ADS)

Akhtari, Fereshteh; Zorriasatein, Suzan; Farahmandjou, Majid; Elahi, Seyed Mohammad

2018-06-01

Pure ZnO nanoparticles (NPs) and Co/ZnO alloy NPs were synthesized with different percentages of cobalt impurity (1%, 3%, 5%, and 25%) with new precursors through the coprecipitation method. The structural results of the XRD analysis indicated that the pure and impure samples have a wurtzite hexagonal structure such that with an elevation of Co impurity up to 1%, the size of the nanocrystals declines by up to 30 nm. Furthermore, the FESEM analysis results suggest the homogeneity of the NPs such that with increased cobalt impurity, its level declines. The TEM analysis results revealed that the NPs with 5% impurity have a mean size of 32 nm in spherical form. The FTIR optical analysis results suggest a very sharp absorption peak within the wavelength ranges of 434–448 cm‑1, belonging to the Zn-O vibration bond. In addition, the absorption peak developed at the wavelength of 3428 cm‑1 is related to the activation of the OH radicals, whose absorption value grows with the addition of an impurity, thereby, causing enhanced photocatalytic activity. The UV-DRS optical analysis indicated that the absorption wavelength grows with increased impurity, causing the development of redshift and a reduction of the energy band gap. In this regard, for the pure sample, the band gap value was 3.18 eV, while for the sample with 5% impurity, the band gap was obtained as 2.68 eV. The VSM magnetic analysis suggests ferromagnetic development in the impure sample, with a saturation magnetism of 16 memu g‑1 and a coercivity field of 342 G.

EXAFS and electrical studies of new narrow-gap semiconductors: InTe1-xSex and In1-xGaxTe

NASA Astrophysics Data System (ADS)

Lebedev, A. I.; Michurin, A. V.; Sluchinskaya, I. A.; Demin, V. N.; Munro, I. H.

2000-12-01

The local environment of Ga, Se and Tl atoms in InTe-based solid solutions was studied by EXAFS technique. It was shown that all investigated atoms are substitutional impurities, which enter the In(1), Te and In(2) positions in the InTe structure, respectively. The electrical measurements revealed that In1-xGaxTe and InTe1-xSex solid solutions become semiconductors at x>0.24 and >0.15, respectively.

Cu1–xFexO: hopping transport and ferromagnetism

PubMed Central

Nasir, Mohd.; Islam, Rakibul; Ahmed, Md. A; Ayaz, Saniya; Kumar, Gautham; Kumar, Sunil; Prajapat, C. L.; Roussel, Frederick; Biring, Sajal

2017-01-01

Single phase, sol–gel prepared Cu1–xFexO (0 ≤ x ≤ 0.125) powders are characterized in terms of structural, electronic and magnetic properties. Using dielectric and magnetic studies we investigate the coupling of electron and spin. The electrical conductivities and activation energies are studied with increasing Fe content. Modelling of experimental conductivity data emphasizes a single hopping mechanism for all samples except x = 0.125, which have two activation energies. Hole doping is confirmed by confirming a majority Fe3+ substitution of Cu2+ in CuO from X-ray photoelectron spectroscopy studies (XPS). Such a substitution results in stabilized ferromagnetism. Fe substitution introduces variation in coercivity as an intrinsic magnetic property in Fe-doped CuO, and not as a secondary impurity phase. PMID:28989741

Silicon materials task of the low cost solar array project. Phase 3: Effect of impurities and processing on silicon solar cells

NASA Technical Reports Server (NTRS)

Hopkins, R. H.; Davis, J. R.; Blais, P. D.; Rohatgi, A.; Campbell, R. B.; Rai-Choudhury, P.; Mollenkopf, H. C.; Mccormick, J. R.

1979-01-01

The 13th quarterly report of a study entitled an Investigation of the Effects of Impurities and Processing on Silicon Solar Cells is given. The objective of the program is to define the effects of impurities, various thermochemical processes and any impurity-process interactions on the performance of terrestrial silicon solar cells. The Phase 3 program effort falls in five areas: (1) cell processing studies; (2) completion of the data base and impurity-performance modeling for n-base cells; (3) extension of p-base studies to include contaminants likely to be introduced during silicon production, refining or crystal growth; (4) anisotropy effects; and (5) a preliminary study of the permanence of impurity effects in silicon solar cells. The quarterly activities for this report focus on tasks (1), (3) and (4).

Identification and Characterization of Asulam Impurities in Self Made Bulk Batch Synthesis and Quantification by RP-HPLC Method.

PubMed

Mahaboob Basha, D; Venkata Reddy, G; Gopi Krishna, Y; Kumara Swamy, B E; Vijay, Rajani

2018-04-19

The first approach of this research paper explores the simultaneous characterization and determination of theAsulam active ingredient and its associated nine impurities in bulk batch production by the gradient reverse-phase high-performance liquid chromatographic (RP-HPLC) method. The best separation from its potential impurities and reproducible method was achieved by selecting the Cosmosil C-18 (250 × 4.6 mm, 5 μm particle size) analytical column with a run time of 40 min. The pumping chromatographic mobile phase was composed of 0.1% formic acid in milli-Q water (pH ~2.72) and methanol (80 + 20, v/v). An ambient column-oven temperature and UV detection at 260 nm were used. For this broad resolution, a gradient program was employed at a flow rate of 1.20 mL/min. All potential related substances in Asulam bulk manufacturing were ascertained by mass, proton nuclear magnetic resonance, and infrared spectroscopy. The developed HPLC method was validated with respect to linearity (25.64-151.83 mg/L for Asulam and 0.71-16.29, 1.02-12.26, 1.01-20.29, 0.60-10.01, 1.04-16.65, 0.94-22.47, 0.93-16.60, 1.00-12.45, 1.00-12.45, and 0.71-12.17 mg/L for Impurities A to I with a correlation coefficient 0.999 for Asulam and all the impurities), precision (RSD, % for active analyte Asulam and impurities were ˂2%), accuracy (percent recovery for Asulam at two levels ranged from 99.28 to 99.35%, and for Impurities A to I, it was 93.44 to 101.41%), and specificity. Hence, this simple and reliable HPLC method was able to determine the purity of Asulam active analyte and the level of impurities in bulk batch synthesis. By using this quantified procedure, five self-made production batches were analyzed simultaneously.

A real-time extension of density matrix embedding theory for non-equilibrium electron dynamics

NASA Astrophysics Data System (ADS)

Kretchmer, Joshua S.; Chan, Garnet Kin-Lic

2018-02-01

We introduce real-time density matrix embedding theory (DMET), a dynamical quantum embedding theory for computing non-equilibrium electron dynamics in strongly correlated systems. As in the previously developed static DMET, real-time DMET partitions the system into an impurity corresponding to the region of interest coupled to the surrounding environment, which is efficiently represented by a quantum bath of the same size as the impurity. In this work, we focus on a simplified single-impurity time-dependent formulation as a first step toward a multi-impurity theory. The equations of motion of the coupled impurity and bath embedding problem are derived using the time-dependent variational principle. The accuracy of real-time DMET is compared to that of time-dependent complete active space self-consistent field (TD-CASSCF) theory and time-dependent Hartree-Fock (TDHF) theory for a variety of quantum quenches in the single impurity Anderson model (SIAM), in which the Hamiltonian is suddenly changed (quenched) to induce a non-equilibrium state. Real-time DMET shows a marked improvement over the mean-field TDHF, converging to the exact answer even in the non-trivial Kondo regime of the SIAM. However, as expected from analogous behavior in static DMET, the constrained structure of the real-time DMET wavefunction leads to a slower convergence with respect to active space size, in the single-impurity formulation, relative to TD-CASSCF. Our initial results suggest that real-time DMET provides a promising framework to simulate non-equilibrium electron dynamics in which strong electron correlation plays an important role, and lays the groundwork for future multi-impurity formulations.

A real-time extension of density matrix embedding theory for non-equilibrium electron dynamics.

PubMed

Kretchmer, Joshua S; Chan, Garnet Kin-Lic

2018-02-07

We introduce real-time density matrix embedding theory (DMET), a dynamical quantum embedding theory for computing non-equilibrium electron dynamics in strongly correlated systems. As in the previously developed static DMET, real-time DMET partitions the system into an impurity corresponding to the region of interest coupled to the surrounding environment, which is efficiently represented by a quantum bath of the same size as the impurity. In this work, we focus on a simplified single-impurity time-dependent formulation as a first step toward a multi-impurity theory. The equations of motion of the coupled impurity and bath embedding problem are derived using the time-dependent variational principle. The accuracy of real-time DMET is compared to that of time-dependent complete active space self-consistent field (TD-CASSCF) theory and time-dependent Hartree-Fock (TDHF) theory for a variety of quantum quenches in the single impurity Anderson model (SIAM), in which the Hamiltonian is suddenly changed (quenched) to induce a non-equilibrium state. Real-time DMET shows a marked improvement over the mean-field TDHF, converging to the exact answer even in the non-trivial Kondo regime of the SIAM. However, as expected from analogous behavior in static DMET, the constrained structure of the real-time DMET wavefunction leads to a slower convergence with respect to active space size, in the single-impurity formulation, relative to TD-CASSCF. Our initial results suggest that real-time DMET provides a promising framework to simulate non-equilibrium electron dynamics in which strong electron correlation plays an important role, and lays the groundwork for future multi-impurity formulations.

Effect of the screened Coulomb disorder on magneto-transport in Weyl semimetals

NASA Astrophysics Data System (ADS)

Ji, Xuan-Ting; Lu, Hai-Zhou; Zhu, Zhen-Gang; Su, Gang

2018-05-01

The observation of negative longitudinal magnetoresistivity (NLMR) in Weyl semimetals has gained strong support in recent experiments. It is believed that charged impurities play an important role in the measurement of NLMR. We thus employ a screened Coulomb disorder to model charged impurities and derive a general screening length depending on the magnetic field, chemical potential and temperature. We study the magneto-transport in a two-node Weyl semimetal in which the intra-valley scattering and the inter-valley scattering can be explored simultaneously. We also calculate the effect of the misalignment of the external electric field and the magnetic field on the longitudinal and transverse magnetoconductivities, recovering the experimental observations. We show that the former (latter) is suppressed (enhanced) sensitively with the density of the impurity. This feature makes it hard to observe the NLMR in experiments in the heavy doping case. These results may be exploited to explain the sample-dependent observation of NLMR and deepen our understanding of magneto-transport in Weyl semimetals.

Temperature dependence of the electrical resistivity of LaxLu1-xAs

NASA Astrophysics Data System (ADS)

Rahimi, S.; Krivoy, E. M.; Lee, J.; Michael, M. E.; Bank, S. R.; Akinwande, D.

2013-08-01

We investigate the temperature-dependent resistivity of single-crystalline films of LaxLu1-xAs over the 5-300 K range. The resistivity was separated into lattice, carrier and impurity scattering regions. The effect of impurity scattering is significant below 20 K, while carrier scattering dominates at 20-80 K and lattice scattering dominates above 80 K. All scattering regions show strong dependence on the La content of the films. While the resistivity of 600 nm LuAs films agree well with the reported bulk resistivity values, 3 nm films possessed significantly higher resistivity, suggesting that interfacial roughness significantly impacts the scattering of carriers at the nanoscale limit.

[The application of inductively coupled plasma atomic emission spectrometry/mass spectrometry to the analysis of advanced ceramic materials].

PubMed

Wang, Zheng; Wang, Shi-Wei; Qiu, De-Ren; Yang, Peng-Yuan

2009-10-01

Advanced ceramics have been applied to various important fields such as information science, aeronautics and astronautics, and life sciences. However, the optics and electric properties of ceramics are significantly affected by the micro and trace impurities existing in the material even at very low concentration level. Thus, the accurate determination of impurities is important for materials preparation and performance. Methodology of the analysis of advanced ceramic materials using ICP-AES/MS was reviewed in the present paper for the past decade. Various techniques of sample introduction, especially advances in the authors' recent work, are described in detail. The developing trend is also presented. Sixty references are cited.

Effect of chemical composition on the electrical conductivity of gneiss at high temperatures and pressures

NASA Astrophysics Data System (ADS)

Dai, Lidong; Sun, Wenqing; Li, Heping; Hu, Haiying; Wu, Lei; Jiang, Jianjun

2018-03-01

The electrical conductivity of gneiss samples with different chemical compositions (WA = Na2O + K2O + CaO = 7.12, 7.27 and 7.64 % weight percent) was measured using a complex impedance spectroscopic technique at 623-1073 K and 1.5 GPa and a frequency range of 10-1 to 106 Hz. Simultaneously, a pressure effect on the electrical conductivity was also determined for the WA = 7.12 % gneiss. The results indicated that the gneiss conductivities markedly increase with total alkali and calcium ion content. The sample conductivity and temperature conform to an Arrhenius relationship within a certain temperature range. The influence of pressure on gneiss conductivity is weaker than temperature, although conductivity still increases with pressure. According to various ranges of activation enthalpy (0.35-0.52 and 0.76-0.87 eV) at 1.5 GPa, two main conduction mechanisms are suggested that dominate the electrical conductivity of gneiss: impurity conduction in the lower-temperature region and ionic conduction (charge carriers are K+, Na+ and Ca2+) in the higher-temperature region. The electrical conductivity of gneiss with various chemical compositions cannot be used to interpret the high conductivity anomalies in the Dabie-Sulu ultrahigh-pressure metamorphic belt. However, the conductivity-depth profiles for gneiss may provide an important constraint on the interpretation of field magnetotelluric conductivity results in the regional metamorphic belt.

Carbon nanotube conditioning: ab initio simulations of the effect of defects and doping on the electronic properties of carbon nanotube systems.

NASA Astrophysics Data System (ADS)

Soto, Matias; Barrera, Enrique

Using carbon nanotubes for electrical conduction applications at the macroscale has proven to be a difficult task, mainly, due to defects and impurities present, and lack of uniform electronic properties in synthesized carbon nanotube bundles. Some researchers have suggested that growing only metallic armchair nanotubes and arranging them with an ideal contact length could lead to the ultimate electrical conductivity; however, such recipe presents too high of a cost to pay. A different route and the topic of this work is to learn to manage the defects, impurities, and the electronic properties of carbon nanotubes present, so that the electrical conduction of a bundle or even wire may be enhanced. We used density functional theory calculations to study the effect of defects and doping on the electronic structure of metallic, semi-metal and semiconducting carbon nanotubes in order to gain a clear picture of their properties. Additionally, using dopants to increase the conductance across a junction between two carbon nanotubes was studied for different configurations. Finally, interaction potentials obtained via first-principles calculations were generalized by developing mathematical models for the purpose of running simulations at a larger length scale using molecular dynamics. Partial funding was received from CONACyT Scholarship 314419.

Noncontact, Electrode-free Capacitance/Voltage Measurement Based on General Theory of Metal-Oxide-Semiconductor (MOS) Structure

NASA Astrophysics Data System (ADS)

Sakai, Takamasa; Kohno, Motohiro; Hirae, Sadao; Nakatani, Ikuyoshi; Kusuda, Tatsufumi

1993-09-01

In this paper, we discussed a novel approach to semiconductor surface inspection, which is analysis using the C--V curve measured in a noncontact method by the metal-air-semiconductor (MAIS) technique. A new gap sensing method using the so-called Goos-Haenchen effect was developed to achieve the noncontact C--V measurement. The MAIS technique exhibited comparable sensitivity and repeatability to those of conventional C--V measurement, and hence, good reproducibility and resolution for quantifying the electrically active impurity on the order of 1× 109/cm2, which is better than most spectrometric techniques, such as secondary ion mass spectroscopy (SIMS), electron spectroscopy for chemical analysis (ESCA) and Auger electron spectrocopy (AES) which are time-consuming and destructive. This measurement without preparation of any electrical contact metal electrode suggested, for the first time, the possibility of measuring an intrinsic characteristic of the semiconductor surface, using the examples of a concrete examination.

Effect of 60Co γ-irradiation on the nature of electronic transport in heavily doped n-type GaN based Schottky photodetectors

NASA Astrophysics Data System (ADS)

Chatterjee, Abhishek; Khamari, Shailesh K.; Porwal, S.; Kher, S.; Sharma, T. K.

2018-04-01

GaN Schottky photodetectors are fabricated on heavily doped n-type GaN epitaxial layers grown by the hydride vapour phase epitaxy technique. The effect of 60Co γ-radiation on the electronic transport in GaN epilayers and Schottky detectors is studied. In contrast to earlier observations, a steady rise in the carrier concentration with increasing irradiation dose is clearly seen. By considering a two layer model, the contribution of interfacial dislocations in carrier transport is isolated from that of the bulk layer for both the pristine and irradiated samples. The bulk carrier concentration is fitted by using the charge balance equation which indicates that no new electrically active defects are generated by γ-radiation even at 500 kGy dose. The irradiation induced rise in the bulk carrier concentration is attributed to the activation of native Si impurities that are already present in an electrically inert form in the pristine sample. Further, the rise in interfacial contribution in the carrier concentration is governed by the enhanced rate of formation of nitrogen vacancies by irradiation, which leads to a larger diffusion of oxygen impurities. A large value of the characteristic tunnelling energy for both the pristine and irradiated Au/Ni/GaN Schottky devices confirms that the dislocation-assisted tunnelling dominates the low temperature current transport even after irradiation. The advantage of higher displacement energy and larger bandgap of GaN as compared to GaAs is evident from the change in leakage current after irradiation. Further, a fast recovery of the photoresponse of GaN photodetectors after irradiation signifies their compatibility to operate in high radiation zones. The results presented here are found to be crucial in understanding the interaction of 60Co γ-irradiation with n+-GaN epilayers.

Colloidal Synthesis of Te-Doped Bi Nanoparticles: Low-Temperature Charge Transport and Thermoelectric Properties.

PubMed

Gu, Da Hwi; Jo, Seungki; Jeong, Hyewon; Ban, Hyeong Woo; Park, Sung Hoon; Heo, Seung Hwae; Kim, Fredrick; Jang, Jeong In; Lee, Ji Eun; Son, Jae Sung

2017-06-07

Electronically doped nanoparticles formed by incorporation of impurities have been of great interest because of their controllable electrical properties. However, the development of a strategy for n-type or p-type doping on sub-10 nm-sized nanoparticles under the quantum confinement regime is very challenging using conventional processes, owing to the difficulty in synthesis. Herein, we report the colloidal chemical synthesis of sub-10 nm-sized tellurium (Te)-doped Bismuth (Bi) nanoparticles with precisely controlled Te content from 0 to 5% and systematically investigate their low-temperature charge transport and thermoelectric properties. Microstructural characterization of nanoparticles demonstrates that Te ions are successfully incorporated into Bi nanoparticles rather than remaining on the nanoparticle surfaces. Low-temperature Hall measurement results of the hot-pressed Te-doped Bi-nanostructured materials, with grain sizes ranging from 30 to 60 nm, show that the charge transport properties are governed by the doping content and the related impurity and nanoscale grain boundary scatterings. Furthermore, the low-temperature thermoelectric properties reveal that the electrical conductivity and Seebeck coefficient expectedly change with the Te content, whereas the thermal conductivity is significantly reduced by Te doping because of phonon scattering at the sites arising from impurities and nanoscale grain boundaries. Accordingly, the 1% Te-doped Bi sample exhibits a higher figure-of-merit ZT by ∼10% than that of the undoped sample. The synthetic strategy demonstrated in this study offers the possibility of electronic doping of various quantum-confined nanoparticles for diverse applications.

Single-site properties of U impurities doped in La2Zn17 (abstract)

NASA Astrophysics Data System (ADS)

Suzuki, H.; Anzai, K.; Takagi, S.

1997-04-01

Thermodynamic and transport properties of heavy Fermion (HF) U compounds show similar behavior to HF Ce compounds. Although most of the magnetic properties of HF Ce compounds can be qualitatively understood on the basis of the impurity Kondo model, no such consensus for HF U compounds has been reached. In addition to this, the single-site properties of U impurities are not understood so well, in contrast to the case of Ce impurities. Recent works for dilute U systems reported new features as are not seen in dilute Ce systems. We have investigated a dilute-U2Zn17 system of (La1-zUz)2Zn17 in order to reveal the single U ion site properties of this system by preparing single crystals. The impurity contributions to various physical quantities such as ρimp(T), χimp(T), and Cimp(T) can be scaled by the U concentration between z=0.025 and 0.05, and the system is considered as in the dilute limit still for z=0.05. The electrical resistivity shows the typical impurity-Kondo upturn at low temperatures. The electronic specific-heat coefficient is strongly enhanced (γimp≈1.5 J/K2 mole U) and about 4 times as large as that for dense U2Zn17. Suppressions of the Kondo effect by the magnetic field are seen in γimp(H) and magnetoresistance. The relatively large anisotropy in χimp(T) indicates an existence of the crystal field. These features of this system will be explained in terms of the Kondo effect in the presence of the crystal field.

One-Step Synthesis of B/N Co-doped Graphene as Highly Efficient Electrocatalyst for the Oxygen Reduction Reaction: Synergistic Effect of Impurities.

PubMed

Mazánek, Vlastimil; Matějková, Stanislava; Sedmidubský, David; Pumera, Martin; Sofer, Zdeněk

2018-01-19

In the last decade, numerous studies of graphene doping by various metal and nonmetal elements have been done in order to obtain tailored properties, such as non-zero band gap, electrocatalytic activity, or controlled optical properties. From nonmetal elements, boron and nitrogen were the most studied dopants. Recently, it has been shown that in some cases the enhanced electrocatalytic activity of graphene and its derivatives can be attributed to metal impurities rather than to nonmetal elements. In this paper, we investigated the electrocatalytical properties of B/N co-doped graphene with respect to the content of metallic impurities introduced by the synthesis procedures. For this purpose, a permanganate (Hummers) and a chlorate (Hofmann) route were used for the preparation of the starting graphene oxides (GO). The GO used for the synthesis of B/N co-doped graphene had significantly difference compositions of oxygen functionalities as well as metallic impurities introduced by the different synthetic procedures. We performed a detailed structural and chemical analysis of the doped graphene samples to correlate their electrocatalytic activity with the concentration of incorporated boron and nitrogen as well as metallic impurities. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

The application of structure-based assessment to support safety and chemistry diligence to manage genotoxic impurities in active pharmaceutical ingredients during drug development.

PubMed

Dobo, Krista L; Greene, Nigel; Cyr, Michelle O; Caron, Stéphane; Ku, Warren W

2006-04-01

Starting materials and intermediates used to synthesize pharmaceuticals are reactive in nature and may be present as impurities in the active pharmaceutical ingredient (API) used for preclinical safety studies and clinical trials. Furthermore, starting materials and intermediates may be known or suspected mutagens and/or carcinogens. Therefore, during drug development due diligence need be applied from two perspectives (1) to understand potential mutagenic and carcinogenic risks associated with compounds used for synthesis and (2) to understand the capability of synthetic processes to control genotoxic impurities in the API. Recently, a task force comprised of experts from pharmaceutical industry proposed guidance, with recommendations for classification, testing, qualification and assessing risk of genotoxic impurities. In our experience the proposed structure-based classification, has differentiated 75% of starting materials and intermediates as mutagenic and non-mutagenic with high concordance (92%) when compared with Ames results. Structure-based assessment has been used to identify genotoxic hazards, and prompted evaluation of fate of genotoxic impurities in API. These two assessments (safety and chemistry) culminate in identification of genotoxic impurities known or suspected to exceed acceptable levels in API, thereby triggering actions needed to assure appropriate control and measurement methods are in place. Hypothetical case studies are presented demonstrating this multi-disciplinary approach.

Stability-indicating HPLC-DAD/UV-ESI/MS impurity profiling of the anti-malarial drug lumefantrine.

PubMed

Verbeken, Mathieu; Suleman, Sultan; Baert, Bram; Vangheluwe, Elien; Van Dorpe, Sylvia; Burvenich, Christian; Duchateau, Luc; Jansen, Frans H; De Spiegeleer, Bart

2011-02-28

Lumefantrine (benflumetol) is a fluorene derivative belonging to the aryl amino alcohol class of anti-malarial drugs and is commercially available in fixed combination products with β-artemether. Impurity characterization of such drugs, which are widely consumed in tropical countries for malaria control programmes, is of paramount importance. However, until now, no exhaustive impurity profile of lumefantrine has been established, encompassing process-related and degradation impurities in active pharmaceutical ingredients (APIs) and finished pharmaceutical products (FPPs). Using HPLC-DAD/UV-ESI/ion trap/MS, a comprehensive impurity profile was established based upon analysis of market samples as well as stress, accelerated and long-term stability results. In-silico toxicological predictions for these lumefantrine related impurities were made using Toxtree® and Derek®. Several new impurities are identified, of which the desbenzylketo derivative (DBK) is proposed as a new specified degradant. DBK and the remaining unspecified lumefantrine related impurities are predicted, using Toxtree® and Derek®, to have a toxicity risk comparable to the toxicity risk of the API lumefantrine itself. From unstressed, stressed and accelerated stability samples of lumefantrine API and FPPs, nine compounds were detected and characterized to be lumefantrine related impurities. One new lumefantrine related compound, DBK, was identified and characterized as a specified degradation impurity of lumefantrine in real market samples (FPPs). The in-silico toxicological investigation (Toxtree® and Derek®) indicated overall a toxicity risk for lumefantrine related impurities comparable to that of the API lumefantrine itself.

A pharmacology guided approach for setting limits on product-related impurities for bispecific antibody manufacturing.

PubMed

Rajan, Sharmila; Sonoda, Junichiro; Tully, Timothy; Williams, Ambrose J; Yang, Feng; Macchi, Frank; Hudson, Terry; Chen, Mark Z; Liu, Shannon; Valle, Nicole; Cowan, Kyra; Gelzleichter, Thomas

2018-04-13

bFKB1 is a humanized bispecific IgG1 antibody, created by conjoining an anti-Fibroblast Growth Factor Receptor 1 (FGFR1) half-antibody to an anti-Klothoβ (KLB) half-antibody, using the knobs-into-holes strategy. bFKB1 acts as a highly selective agonist for the FGFR1/KLB receptor complex and is intended to ameliorate obesity-associated metabolic defects by mimicking the activity of the hormone FGF21. An important aspect of the biologics product manufacturing process is to establish meaningful product specifications regarding the tolerable levels of impurities that copurify with the drug product. The aim of the current study was to determine acceptable levels of product-related impurities for bFKB1. To determine the tolerable levels of these impurities, we dosed obese mice with bFKB1 enriched with various levels of either HMW impurities or anti-FGFR1-related impurities, and measured biomarkers for KLB-independent FGFR1 signaling. Here, we show that product-related impurities of bFKB1, in particular, high molecular weight (HMW) impurities and anti-FGFR1-related impurities, when purposefully enriched, stimulate FGFR1 in a KLB-independent manner. By taking this approach, the tolerable levels of product-related impurities were successfully determined. Our study demonstrates a general pharmacology-guided approach to setting a product specification for a bispecific antibody whose homomultimer-related impurities could lead to undesired biological effects. Copyright © 2018. Published by Elsevier Inc.

Characterization and performance of a field aligned ion cyclotron range of frequency antenna in Alcator C-Mod

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wukitch, S. J.; Garrett, M. L.; Ochoukov, R.

Ion cyclotron range of frequency (ICRF) heating is expected to provide auxiliary heating for ITER and future fusion reactors where high Z metallic plasma facing components (PFCs) are being considered. Impurity contamination linked to ICRF antenna operation remains a major challenge particularly for devices with high Z metallic PFCs. Here, we report on an experimental investigation to test whether a field aligned (FA) antenna can reduce impurity contamination and impurity sources. We compare the modification of the scrape of layer (SOL) plasma potential of the FA antenna to a conventional, toroidally aligned (TA) antenna, in order to explore the underlyingmore » physics governing impurity contamination linked to ICRF heating. The FA antenna is a 4-strap ICRF antenna where the current straps and antenna enclosure sides are perpendicular to the total magnetic field while the Faraday screen rods are parallel to the total magnetic field. In principle, alignment with respect to the total magnetic field minimizes integrated E|| (electric field along a magnetic field line) via symmetry. A finite element method RF antenna model coupled to a cold plasma model verifies that the integrated E|| should be reduced for all antenna phases. Monopole phasing in particular is expected to have the lowest integrated E||. Consistent with expectations, we observed that the impurity contamination and impurity source at the FA antenna are reduced compared to the TA antenna. In both L and H-mode discharges, the radiated power is 20%–30% lower for a FA-antenna heated discharge than a discharge heated with the TA-antennas. However, inconsistent with expectations, we observe RF induced plasma potentials (via gas-puff imaging and emissive probes to be nearly identical for FA and TA antennas when operated in dipole phasing). Moreover, the highest levels of RF-induced plasma potentials are observed using monopole phasing with the FA antenna. Thus, while impurity contamination and sources are indeed reduced with the FA antenna configuration, the mechanism determining the SOL plasma potential in the presence of ICRF and its impact on impurity contamination and sources remains to be understood.« less

Kinetic neoclassical transport in the H-mode pedestal

DOE PAGES

Battaglia, D. J.; Burrell, K. H.; Chang, C. S.; ...

2014-07-16

Multi-species kinetic neoclassical transport through the QH-mode pedestal and scrapeoff layer on DIII-D is calculated using XGC0, a 5D full-f particle-in-cell drift-kinetic solver with self-consistent neutral recycling and sheath potentials. We achieved quantitative agreement between the fluxdriven simulation and the experimental electron density, impurity density and orthogonal measurements of impurity temperature and flow profiles by adding random-walk particle diffusion to the guiding-center drift motion. Furthermore, we computed the radial electric field (Er) that maintains ambipolar transport across flux surfaces and to the wall self-consistently on closed and open magnetic field lines, and is in excellent agreement with experiment. The Ermore » inside the separatrix is the unique solution that balances the outward flux of thermal tail deuterium ions against the outward neoclassical electron flux and inward pinch of impurity and colder deuterium ions. Particle transport in the pedestal is primarily due to anomalous transport, while the ion heat and momentum transport is primarily due to the neoclassical transport. The full-f treatment quantifies the non-Maxwellian energy distributions that describe a number of experimental observations in low-collisionallity pedestals on DIII-D, including intrinsic co-Ip parallel flows in the pedestal, ion temperature anisotropy and large impurity temperatures in the scrape-off layer.« less

Chemical vapor deposition of fluorine-doped zinc oxide

DOEpatents

Gordon, Roy G.; Kramer, Keith; Liang, Haifan

2000-06-06

Fims of fluorine-doped zinc oxide are deposited from vaporized precursor compounds comprising a chelate of a dialkylzinc, such as an amine chelate, an oxygen source, and a fluorine source. The coatings are highly electrically conductive, transparent to visible light, reflective to infrared radiation, absorbing to ultraviolet light, and free of carbon impurity.

Photo-ionization cross-section of donor-related in (In,Ga)N/GaN core/shell under hydrostatic pressure and electric field effects

NASA Astrophysics Data System (ADS)

El Ghazi, Haddou; John Peter, A.

2017-04-01

Hydrogenic-like donor-impurity related self and induced polarizations, bending energy and photo-ionization cross section in spherical core/shell zinc blende (In,Ga)N/GaN are computed. Based on the variational approach and within effective-mass and one parabolic approximations, the calculations are made under finite potential barrier taking into account of the discontinuity of the effective-mass and the constant dielectric. The photo-ionization cross section is studied according to the photon incident energy considering the effects of hydrostatic pressure, applied electric field, structure's radius, impurity's position and indium composition in the core. It is obtained that the influences mentioned above lead to either blue shifts or redshifts of the resonant peak of the photo-ionization cross section spectrum. The unusual behavior related to the structure radius is discussed which is as a consequence of the finite potential confinement. We have shown that the photo-ionization cross section can be controlled with adjusting the internal and external factors. These properties can be useful for producing some device applications such as quantum dot infrared photodetectors.

A Robust and Fast Method to Compute Shallow States without Adjustable Parameters: Simulations for a Silicon-Based Qubit

NASA Astrophysics Data System (ADS)

Debernardi, Alberto; Fanciulli, Marco

Within the framework of the envelope function approximation we have computed - without adjustable parameters and with a reduced computational effort due to analytical expression of relevant Hamiltonian terms - the energy levels of the shallow P impurity in silicon and the hyperfine and superhyperfine splitting of the ground state. We have studied the dependence of these quantities on the applied external electric field along the [001] direction. Our results reproduce correctly the experimental splitting of the impurity ground states detected at zero electric field and provide reliable predictions for values of the field where experimental data are lacking. Further, we have studied the effect of confinement of a shallow state of a P atom at the center of a spherical Si-nanocrystal embedded in a SiO2 matrix. In our simulations the valley-orbit interaction of a realistically screened Coulomb potential and of the core potential are included exactly, within the numerical accuracy due to the use of a finite basis set, while band-anisotropy effects are taken into account within the effective-mass approximation.

Electrical resistivity of liquid iron with high concentration of light element impurities

NASA Astrophysics Data System (ADS)

Wagle, F.; Steinle-Neumann, G.

2017-12-01

The Earth's outer core mainly consists of liquid iron, enriched with several weight percent of lighter elements, such as silicon, oxygen, sulfur or carbon. Electrical resistivities of alloys of this type determine the stability of the geodynamo. Both computational and experimental results show that resistivites of Fe-based alloys deviate significantly from values of pure Fe. Using optical conductivity values computed with the Kubo-Greenwood formalism for DFT-based molecular dynamics results, we analyze the high-P and T behavior of resitivities for Fe-alloys containing various concentrations of sulfur, oxygen and silicon. As the electron mean free path length in amorphous and liquid material becomes comparable to interatomic distances at high P and T, electron scattering is expected to be dominated by the short-range order, rather than T-dependent vibrational contributions, and we describe such correlations in our results. In analogy to macroscopic porous media, we further show that resistivity of a liquid metal-nonmetal alloy is determined to first order by the resistivity of the metallic matrix and the volume fraction of non-metallic impurities.

Reversed Hall effect and plasma conductivity in the presence of charged impurities

NASA Astrophysics Data System (ADS)

Yaroshenko, V. V.; Lühr, H.

2018-01-01

The Hall conductivity of magnetized plasma can be strongly suppressed by the contribution of negatively charged particulates (referred further as "dust"). Once the charge density accumulated by the dust exceeds a certain threshold, the Hall component becomes negative, providing a reversal in the Hall current. Such an effect is unique for dust-loaded plasmas, and it can hardly be achieved in electronegative plasmas. Further growth of the dust density leads to an increase in both the absolute value of the Hall and Pedersen conductivities, while the field-aligned component is decreased. These modifications enhance the role of transverse electric currents and reduce the anisotropy of a magnetized plasma when loaded with charged impurities. The findings provide an important basis for studying the generation of electric currents and transport phenomena in magnetized plasma systems containing small charged particulates. They can be relevant for a wide range of applications from naturally occurring space plasmas in planetary magnetospheres and astrophysical objects to laboratory dusty plasmas (Magnetized Dusty Plasma Experiment) and to technological and fusion plasmas.

Investigation of new semiinsulating behavior of III-V compounds

NASA Technical Reports Server (NTRS)

Lagowski, Jacek

1990-01-01

The investigation of defect interactions and properties related to semiinsulating behavior of III-V semiconductors resulted in about twenty original publications, six doctoral thesis, one masters thesis and numerous conference presentations. The studies of new compensation mechanisms involving transition metal impurities have defined direct effects associated with deep donor/acceptor levels acting as compensating centers. Electrical and optical properties of vanadium and titanium levels were determined in GaAs, InP and also in ternary compounds InGaAs. The experimental data provided basis for the verification of chemical trends and the VRBE method. They also defined compositional range for III-V mixed crystals whereby semiinsulating behavior can be achieved using transition elements deep levels and a suitable codoping with shallow donor/acceptor impurities.

Levothyroxine sodium revisited: A wholistic structural elucidation approach of new impurities via HPLC-HRMS/MS, on-line H/D exchange, NMR spectroscopy and chemical synthesis.

PubMed

Ruggenthaler, M; Grass, J; Schuh, W; Huber, C G; Reischl, R J

2017-02-20

The structural elucidation of unknown pharmaceutical impurities plays an important role in the quality control of newly developed and well-established active pharmaceutical ingredients (APIs). The United States Pharmacopeia (USP) monograph for the API Levothyroxine Sodium, a synthetic thyroid hormone, features two high pressure liquid chromatography (HPLC) methods using UV-VIS absorption detection to determine organic impurities in the drug substance. The impurity profile of the first USP method ("Procedure 1") has already been extensively studied, however for the second method ("Procedure 2"), which exhibits a significantly different impurity profile, no wholistic structural elucidation of impurities has been performed yet. Applying minor modifications to the chromatographic parameters of USP "Procedure 2" and using various comprehensive structural elucidation methods such as high resolution tandem mass spectrometry with on-line hydrogen-deuterium (H/D) exchange or two-dimensional nuclear magnetic resonance spectroscopy (NMR) we gained new insights about the complex impurity profile of the synthetic thyroid hormone. This resulted in the characterization of 24 compounds previously unknown to literature and the introduction of two new classes of Levothyroxine Sodium impurities. Five novel compounds were unambiguously identified via isolation or synthesis of reference substances and subsequent NMR spectroscopic investigation. Additionally, Collision-Induced Dissociation (CID)-type fragmentation of identified major impurities as well as neutral loss fragmentation patterns of many characterized impurities were discussed. Copyright © 2016 Elsevier B.V. All rights reserved.

Impurity profiling of liothyronine sodium by means of reversed phase HPLC, high resolution mass spectrometry, on-line H/D exchange and UV/Vis absorption.

PubMed

Ruggenthaler, M; Grass, J; Schuh, W; Huber, C G; Reischl, R J

2017-09-05

For the first time, a comprehensive investigation of the impurity profile of the synthetic thyroid API (active pharmaceutical ingredient) liothyronine sodium (LT 3 Na) was performed by using reversed phase HPLC and advanced structural elucidation techniques including high resolution tandem mass spectrometry (HRMS/MS) and on-line hydrogen-deuterium (H/D) exchange. Overall, 39 compounds were characterized and 25 of these related substances were previously unknown to literature. The impurity classification system recently developed for the closely related API levothyroxine sodium (LT 4 Na) could be applied to the newly characterized liothyronine sodium impurities resulting in a wholistic thyroid API impurity classification system. Furthermore, the mass-spectrometric CID-fragmentation of specific related substances was discussed and rationalized by detailed fragmentation pathways. Moreover, the UV/Vis absorption characteristics of the API and selected impurities were investigated to corroborate chemical structure assignments derived from MS data. Copyright © 2017 Elsevier B.V. All rights reserved.

Kinetics of CO/CO2 and H2/H2O reactions at Ni-based and ceria-based solid-oxide-cell electrodes.

PubMed

Graves, Christopher; Chatzichristodoulou, Christodoulos; Mogensen, Mogens B

2015-01-01

The solid oxide electrochemical cell (SOC) is an energy conversion technology that can be operated reversibly, to efficiently convert chemical fuels to electricity (fuel cell mode) as well as to store electricity as chemical fuels (electrolysis mode). The SOC fuel-electrode carries out the electrochemical reactions CO2 + 2e(-) ↔ CO + O(2-) and H2O + 2e(-) ↔ H2 + O(2-), for which the electrocatalytic activities of different electrodes differ considerably. The relative activities in CO/CO2 and H2/H2O and the nature of the differences are not well studied, even for the most common fuel-electrode material, a composite of nickel and yttria/scandia stabilized zirconia (Ni-SZ). Ni-SZ is known to be more active for H2/H2O than for CO/CO2 reactions, but the reported relative activity varies widely. Here we compare AC impedance and DC current-overpotential data measured in the two gas environments for several different electrodes comprised of Ni-SZ, Gd-doped CeO2 (CGO), and CGO nanoparticles coating Nb-doped SrTiO3 backbones (CGOn/STN). 2D model and 3D porous electrode geometries are employed to investigate the influence of microstructure, gas diffusion and impurities.Comparing model and porous Ni-SZ electrodes, the ratio of electrode polarization resistance in CO/CO2vs. H2/H2O decreases from 33 to 2. Experiments and modelling suggest that the ratio decreases due to a lower concentration of impurities blocking the three phase boundary and due to the nature of the reaction zone extension into the porous electrode thickness. Besides showing higher activity for H2/H2O reactions than CO/CO2 reactions, the Ni/SZ interface is more active for oxidation than reduction. On the other hand, we find the opposite behaviour in both cases for CGOn/STN model electrodes, reporting for the first time a higher electrocatalytic activity of CGO nanoparticles for CO/CO2 than for H2/H2O reactions in the absence of gas diffusion limitations. We propose that enhanced surface reduction at the CGOn/gas two phase boundary in CO/CO2 and in cathodic polarization can explain why the highest reaction rate is obtained for CO2 electrolysis. Large differences observed between model electrode kinetics and porous electrode kinetics are discussed.

An intense lithium ion beam source using vacuum baking and discharge cleaning techniques

DOE Office of Scientific and Technical Information (OSTI.GOV)

Moschella, J.J.; Kusse, B.R.; Longfellow, J.P.

We have developed a high-purity, intense, lithium ion beam source which operates at 500 kV and 120 A/cm{sup 2} with pulse widths of 125 ns full width half maximum. The beams were generated using a lithium chloride anode in planar magnetically insulated geometry. We have found that the combination of vacuum baking of the anode at 250 {degree}C followed by the application of 100 W of pure argon, steady-state, glow discharge cleaning reduced the impurity concentration in the beam to approximately 10% (components other than chlorine or lithium were considered impurities). Although the impurities were low, the concentration of chlorinemore » in the 1+ and 2+ charge states was significant ({similar to}25%). The remaining 65% of the beam consisted of Li{sup +} ions. Without the special cleaning process, over half the beam particles were impurities. It was determined that these impurities entered the beam at the anode surface but came originally from material in the vacuum chamber. After the cleaning process, recontamination was observed to occur in approximately 6 min. This long recontamination time, which was much greater than the expected monolayer formation time, was attributed to the elevated temperature of the anode. We also compared the electrical characteristics of the beams produced by LiCl anodes to those generated by a standard polyethylene proton source. In contrast to the polyethylene anode, the LiCl source exhibited a higher impedance, produced beams of lower ion current efficiency and had longer turn on times.« less

Spin-state responses to light impurity substitution in low-spin perovskite LaCoO3

NASA Astrophysics Data System (ADS)

Tomiyasu, Keisuke; Kubota, Yuuki; Shimomura, Saya; Onodera, Mitsugi; Koyama, Syun-Ichi; Nojima, Tsutomu; Ishihara, Sumio; Nakao, Hironori; Murakami, Youichi

2013-06-01

We studied the spin-state responses to light impurity substitution in low-spin perovskite LaCoO3 (Co3+: d6) through magnetization, x-ray fluorescence, and electrical resistivity measurements of single-crystal LaCo0.99M0.01O3 (M = Cr, Mn, Fe, Ni). In the magnetization curves measured at 1.8 K, a change in the spin-state was not observed for Cr, Mn, or Fe substitution but was observed for Ni substitution. Strong magnetic anisotropy was also found in the Ni-substituted sample. The fluorescence measurements revealed that the valences were roughly estimated to be Cr3+, Mn(4-δ)+, Fe(3+δ')+, and Ni3+. From the observed chemical trends, we propose that the chemical potential is a key factor in inducing the change of the low-spin state. By expanding a model of the ferromagnetic spin-state heptamer generated by hole doping [Podlesnyak , Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.101.247603 101, 247603 (2008)], the emergence of highly anisotropic spin-state molecular ferromagnets induced by low-spin Ni3+ with Jahn-Teller activity is suggested. We also discuss applicability of the present results to other materials with Fe (d6).

Systematic study of electronic and magnetic properties for Cu{sub 12–x}TM{sub x}Sb{sub 4}S{sub 13} (TM = Mn, Fe, Co, Ni, and Zn) tetrahedrite

DOE Office of Scientific and Technical Information (OSTI.GOV)

Suekuni, K., E-mail: ksuekuni@hiroshima-u.ac.jp; Tomizawa, Y.; Ozaki, T.

2014-04-14

Substitution effects of 3d transition metal (TM) impurities on electronic and magnetic properties for Cu{sub 12}Sb{sub 4}S{sub 13} tetrahedrite are investigated by the combination of low-temperature experiments and first-principles electronic-structure calculations. The electrical resistivity for the cubic phase of Cu{sub 12}Sb{sub 4}S{sub 13} exhibits metallic behavior due to an electron-deficient character of the compound. Whereas that for 0.5 ≤ x ≤ 2.0 of Cu{sub 12−x}Ni{sub x}Sb{sub 4}S{sub 13} exhibits semiconducting behavior. The substituted Ni for Cu is in the divalent ionic state with a spin magnetic moment and creates impurity bands just above the Fermi level at the top of the valence band. Therefore,more » the semiconducting behavior of the electrical resistivity is attributed to the thermal excitation of electrons from the valence band to the impurity band. The substitution effect of TM on the electronic structure and the valency of TM for Cu{sub 11.0}TM{sub 1.0}Sb{sub 4}S{sub 13} are systematically studied by the calculation. The substituted Mn, Fe, and Co for Cu are found to be in the ionic states with the spin magnetic moments due to the large exchange splitting of the 3d bands between the minority- and majority-spin states.« less

Recent trends in the impurity profile of pharmaceuticals

PubMed Central

Pilaniya, Kavita; Chandrawanshi, Harish K.; Pilaniya, Urmila; Manchandani, Pooja; Jain, Pratishtha; Singh, Nitin

2010-01-01

Various regulatory authorities such as the International Conference on Harmonization (ICH), the United States Food and Drug administration (FDA), and the Canadian Drug and Health Agency (CDHA) are emphasizing on the purity requirements and the identification of impurities in Active Pharmaceutical Ingredients (APIs). The various sources of impurity in pharmaceutical products are — reagents, heavy metals, ligands, catalysts, other materials like filter aids, charcoal, and the like, degraded end products obtained during \\ after manufacturing of bulk drugs from hydrolysis, photolytic cleavage, oxidative degradation, decarboxylation, enantiomeric impurity, and so on. The different pharmacopoeias such as the British Pharmacopoeia, United State Pharmacopoeia, and Indian Pharmacopoeia are slowly incorporating limits to allowable levels of impurities present in APIs or formulations. Various methods are used to isolate and characterize impurities in pharmaceuticals, such as, capillary electrophoresis, electron paramagnetic resonance, gas–liquid chromatography, gravimetric analysis, high performance liquid chromatography, solid-phase extraction methods, liquid–liquid extraction method, Ultraviolet Spectrometry, infrared spectroscopy, supercritical fluid extraction column chromatography, mass spectrometry, Nuclear magnetic resonance (NMR) spectroscopy, and RAMAN spectroscopy. Among all hyphenated techniques, the most exploited techniques for impurity profiling of drugs are Liquid Chromatography (LC)-Mass Spectroscopy (MS), LC-NMR, LC-NMR-MS, GC-MS, and LC-MS. This reveals the need and scope of impurity profiling of drugs in pharmaceutical research. PMID:22247862

Modification of energy band alignment and electric properties of Pt/Ba{sub 0.6}Sr{sub 0.4}TiO{sub 3}/Pt thin-film ferroelectric varactors by Ag impurities at interfaces

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hirsch, S.; Komissinskiy, P., E-mail: komissinskiy@oxide.tu-darmstadt.de; Flege, S.

2014-06-28

We report on the effects of Ag impurities at interfaces of parallel-plate Pt/Ba{sub 0.6}Sr{sub 0.4}TiO{sub 3}/Pt thin film ferroelectric varactors. Ag impurities occur at the interfaces due to diffusion of Ag from colloidal silver paint used to attach the varactor samples with their back side to the plate heated at 600–750 °C during deposition of Ba{sub 0.6}Sr{sub 0.4}TiO{sub 3}. X-ray photoelectron spectroscopy and secondary ion mass spectrometry suggest that amount and distribution of Ag adsorbed at the interfaces depend strongly on the adsorbent surface layer. In particular, Ag preferentially accumulates on top of the Pt bottom electrode. The presence of Agmore » significantly reduces the barrier height between Pt and Ba{sub 0.6}Sr{sub 0.4}TiO{sub 3} leading to an increased leakage current density and, thus, to a severe degradation of the varactor performance.« less

Stability-indicating HPLC Method for Simultaneous Determination of Terbutaline Sulphate, Bromhexine Hydrochloride and Guaifenesin

PubMed Central

Porel, A.; Haty, Sanjukta; Kundu, A.

2011-01-01

The aim of the present study was the development and subsequent validation of a simple, precise and stability-indicating reversed phase HPLC method for the simultaneous determination of guaifenesin, terbutaline sulphate and bromhexine hydrochloride in the presence of their potential impurities in a single run. The photolytic as well as hydrolytic impurities were detected as 3,5-dihydroxybenzoic acid, 3,5-dihydroxybenzaldehyde, 1-(3,5-dihydroxyphenyl)-2-[(1,1-dimethylethyl) amino]-ethanone from terbutaline, 2-methoxyphenol and an unknown impurity identified as (2RS)-3-(2-hydroxyphenoxy)-propane-1,2-diol from guaifenesin. The chromatographic separation of all the three active components and their impurities was achieved on Wakosil II column, using phosphate buffer (pH 3.0) and acetonitrile as mobile phase which was delivered initially in the ratio of 80:20 (v/v) for 18 min, then changed to 60:40 (v/v) for next 12 min, and finally equilibrated back to 80:20 (v/v) for 10 min. Other HPLC parameters were: Flow rate at 1.0 ml/min, detection wavelengths 248 and 280 nm, injection volume 10 μl. The calibration graphs plotted with five concentrations of each component were linear with a regression coefficient R2 >0.9999. The limit of detection and limit of quantitation were estimated for all the five impurities. The established method was then validated for linearity, precision, accuracy, and specificity and demonstrated to be applicable to the determination of the active ingredients in commercial and model cough syrup. No interference from the formulation excipients was observed. These results suggest that this LC method can be used for the determination of multiple active ingredients and their impurities in a cough and cold syrup. PMID:22131621

Stability-indicating HPLC Method for Simultaneous Determination of Terbutaline Sulphate, Bromhexine Hydrochloride and Guaifenesin.

PubMed

Porel, A; Haty, Sanjukta; Kundu, A

2011-01-01

The aim of the present study was the development and subsequent validation of a simple, precise and stability-indicating reversed phase HPLC method for the simultaneous determination of guaifenesin, terbutaline sulphate and bromhexine hydrochloride in the presence of their potential impurities in a single run. The photolytic as well as hydrolytic impurities were detected as 3,5-dihydroxybenzoic acid, 3,5-dihydroxybenzaldehyde, 1-(3,5-dihydroxyphenyl)-2-[(1,1-dimethylethyl) amino]-ethanone from terbutaline, 2-methoxyphenol and an unknown impurity identified as (2RS)-3-(2-hydroxyphenoxy)-propane-1,2-diol from guaifenesin. The chromatographic separation of all the three active components and their impurities was achieved on Wakosil II column, using phosphate buffer (pH 3.0) and acetonitrile as mobile phase which was delivered initially in the ratio of 80:20 (v/v) for 18 min, then changed to 60:40 (v/v) for next 12 min, and finally equilibrated back to 80:20 (v/v) for 10 min. Other HPLC parameters were: Flow rate at 1.0 ml/min, detection wavelengths 248 and 280 nm, injection volume 10 μl. The calibration graphs plotted with five concentrations of each component were linear with a regression coefficient R(2) >0.9999. The limit of detection and limit of quantitation were estimated for all the five impurities. The established method was then validated for linearity, precision, accuracy, and specificity and demonstrated to be applicable to the determination of the active ingredients in commercial and model cough syrup. No interference from the formulation excipients was observed. These results suggest that this LC method can be used for the determination of multiple active ingredients and their impurities in a cough and cold syrup.

The sensitized luminescence of manganese-activated calcite

USGS Publications Warehouse

Schulman, J.H.; Evans, L.W.; Ginther, R.J.; Murata, K.J.

1947-01-01

Synthetic manganese-activated calcites are shown to be practically inert to ultraviolet excitation in the range 2000-3500A, while they are luminescent under cathode-ray excitation. The incorporation of small amounts of an auxiliary impurity along with the manganese produces the strong response to ultraviolet radiation hitherto ascribed to CaCO3:Mn itself. Three such impurities have been studied: lead, thallium, and cerium. The first two induce excitation in the neighborhood of the mercury resonance line, while the cerium introduces a response principally to longer wave ultraviolet. The strong response to 2537A excitation shown by some natural calcites is likewise found to be due to the presence of lead along with the manganese, rather than to the manganese alone. The data do not warrant ascribing the longer wave-length ultraviolet-excited luminescence of all natural calcites to the action of an auxiliary impurity. The essential identity of the cathode-ray excited luminescence spectra of CaCO 3:Mn, CaCO3: (Pb+Mn), CaCO3:(Tl+Mn), and CaCO3:(Ce+Mn) with the 2537A-excited spectra of the latter three is evidence that the luminescent center in all cases is the manganese ion or the MnO6 group. It is shown that a "cascade" mechanism for the action of the auxiliary impurities, lead, thallium, and cerium, is incorrect; and that the phenomenon must be considered as a case of sensitized luminescence. Owing to the nature of cathode-ray excitation, the manganese activator can be excited by this agent even in the absence of a second impurity. For optical excitation, however, an absorption band for the ultraviolet must be established by building into the CaCO3:Mn a second impurity or "sensitizer.".

Detection and removal of impurities in nitric oxide generated from air by pulsed electrical discharge.

PubMed

Yu, Binglan; Blaesi, Aron H; Casey, Noel; Raykhtsaum, Grigory; Zazzeron, Luca; Jones, Rosemary; Morrese, Alexander; Dobrynin, Danil; Malhotra, Rajeev; Bloch, Donald B; Goldstein, Lee E; Zapol, Warren M

2016-11-30

Inhalation of nitric oxide (NO) produces selective pulmonary vasodilation without dilating the systemic circulation. However, the current NO/N 2 cylinder delivery system is cumbersome and expensive. We developed a lightweight, portable, and economical device to generate NO from air by pulsed electrical discharge. The objective of this study was to investigate and optimize the purity and safety of NO generated by this device. By using low temperature streamer discharges in the plasma generator, we produced therapeutic levels of NO with very low levels of nitrogen dioxide (NO 2 ) and ozone. Despite the low temperature, spark generation eroded the surface of the electrodes, contaminating the gas stream with metal particles. During prolonged NO generation there was gradual loss of the iridium high-voltage tip (-90 μg/day) and the platinum-nickel ground electrode (-55 μg/day). Metal particles released from the electrodes were trapped by a high-efficiency particulate air (HEPA) filter. Quadrupole mass spectroscopy measurements of effluent gas during plasma NO generation showed that a single HEPA filter removed all of the metal particles. Mice were exposed to breathing 50 parts per million of electrically generated NO in air for 28 days with only a scavenger and no HEPA filter; the mice did not develop pulmonary inflammation or structural changes and iridium and platinum particles were not detected in the lungs of these mice. In conclusion, an electric plasma generator produced therapeutic levels of NO from air; scavenging and filtration effectively eliminated metallic impurities from the effluent gas. Copyright © 2016 Elsevier Inc. All rights reserved.

Detection and Removal of Impurities in Nitric Oxide Generated from Air by Pulsed Electrical Discharge

PubMed Central

Yu, Binglan; Blaesi, Aron H.; Casey, Noel; Raykhtsaum, Grigory; Zazzeron, Luca; Jones, Rosemary; Morrese, Alexander; Dobrynin, Danil; Malhotra, Rajeev; Bloch, Donald B.; Goldstein, Lee E.; Zapol, Warren M.

2016-01-01

Inhalation of nitric oxide (NO) produces selective pulmonary vasodilation without dilating the systemic circulation. However, the current NO/N2 cylinder delivery system is cumbersome and expensive. We developed a lightweight, portable, and economical device to generate NO from air by pulsed electrical discharge. The objective of this study was to investigate and optimize the purity and safety of NO generated by this device. By using low temperature streamer discharges in the plasma generator, we produced therapeutic levels of NO with very low levels of nitrogen dioxide (NO2) and ozone. Despite the low temperature, spark generation eroded the surface of the electrodes, contaminating the gas stream with metal particles. During prolonged NO generation there was gradual loss of the iridium high-voltage tip (−90 µg/day) and the platinum-nickel ground electrode (−55 µg/day). Metal particles released from the electrodes were trapped by a high-efficiency particulate air (HEPA) filter. Quadrupole mass spectroscopy measurements of effluent gas during plasma NO generation showed that a single HEPA filter removed all of the metal particles. Mice were exposed to breathing 50 parts per million of electrically generated NO in air for 28 days with only a scavenger and no HEPA filter; the mice did not develop pulmonary inflammation or structural changes and iridium and platinum particles were not detected in the lungs of these mice. In conclusion, an electric plasma generator produced therapeutic levels of NO from air; scavenging and filtration effectively eliminated metallic impurities from the effluent gas. PMID:27592386

Use of accelerated helium-3 ions for determining oxygen and carbon impurities in some pure materials

NASA Technical Reports Server (NTRS)

Aleksandrova, G. I.; Borisov, G. I.; Demidov, A. M.; Zakharov, Y. A.; Sukhov, G. V.; Shmanenkova, G. I.; Shchelkova, V. P.

1978-01-01

Methods are developed for the determination of O impurity in Be and Si carbide and concurrent determination of C and O impurities in Si and W by irradiation with accelerated He-3 ions and subsequent activity measurements of C-11 and F-18 formed from C and O with the aid of a gamma-gamma coincidence spectrometer. Techniques for determining O in Ge and Ga arsenide with radiochemical separation of F-18 are also described.

Nucleation and convection effects in protein crystal growth

NASA Technical Reports Server (NTRS)

Rosenberger, Franz (Principal Investigator)

1996-01-01

The following activities are reported on: repartitioning of NaCl and protein impurities in lysozyme crystallization; dependence of lysozyme growth kinetics on step sources and impurities; facet morphology response to nonuniformities in nutrient and impurity supply; interactions in undersaturated and supersaturated lysozyme solutions; heterogeneity determination and purification of commercial hen egg white lysozyme; nonlinear response of layer growth dynamics in the mixed kinetics-bulk transport regime; development of a simultaneous multiangle light scattering technique; and x-ray topography of tetragonal lysozyme grown by the temperature-control technique.

Forced degradation and impurity profiling: recent trends in analytical perspectives.

PubMed

Jain, Deepti; Basniwal, Pawan Kumar

2013-12-01

This review describes an epigrammatic impression of the recent trends in analytical perspectives of degradation and impurities profiling of pharmaceuticals including active pharmaceutical ingredient (API) as well as drug products during 2008-2012. These recent trends in forced degradation and impurity profiling were discussed on the head of year of publication; columns, matrix (API and dosage forms) and type of elution in chromatography (isocratic and gradient); therapeutic categories of the drug which were used for analysis. It focuses distinctly on comprehensive update of various analytical methods including hyphenated techniques for the identification and quantification of thresholds of impurities and degradants in different pharmaceutical matrices. © 2013 Elsevier B.V. All rights reserved.

Method of treating intermetallic alloy hydrogenation/oxidation catalysts for improved impurity poisoning resistance, regeneration and increased activity

DOEpatents

Wright, Randy B.

1992-01-01

Alternate, successive high temperature oxidation and reduction treatments, in either order, of intermetallic alloy hydrogenation and intermetallic alloy oxidation catalysts unexpectedly improves the impurity poisoning resistance, regeneration capacity and/or activity of the catalysts. The particular alloy, and the final high temperature treatment given alloy (oxidation or reduction) will be chosen to correspond to the function of the catalyst (oxidation or hydrogenation).

Improvements to active material for VRLA batteries

NASA Astrophysics Data System (ADS)

Prengaman, R. David

In the past several years, there have been many developments in the materials for lead-acid batteries. Silver in grid alloys for high temperature climates in SLI batteries has increased the silver content of the recycled lead stream. Concern about silver and other contaminants in lead for the active material for VRLA batteries led to the initiation of a study by ALABC at CSIRO. The study evaluated the effects of many different impurities on the hydrogen and oxygen evolution currents in float service for flooded and VRLA batteries at different temperatures and potentials. The study results increased the understanding about the effects of various impurities in lead for use in active material, as well as possible performance and life improvements in VRLA batteries. Some elements thought to be detrimental have been found to be beneficial. Studies have now uncovered the effects of the beneficial elements as well as additives to both the positive and negative active material in increasing battery capacity, extending life and improving recharge. Glass separator materials have also been re-examined in light of the impurities study. Old glass compositions may be revived to give improved battery performance via compositional changes to the glass chemistry. This paper reviews these new developments and outline suggestions for improved battery performance based on unique impurities and additives.

Impurity migration pattern under RF sheath potential in tokamak and the response of Plasma to RMP

NASA Astrophysics Data System (ADS)

Xiao, Xiaotao; Gui, Bin; Xia, Tianyang; Xu, Xueqiao; Sun, Youwen

2017-10-01

The migration pattern of impurity sputtered from RF guarder limiter, is simulated by a test particle module. The electric potential with RF sheath boundary condition on the guard limiter and the thermal sheath boundary condition on the divertor surface are used. The turbulence transport is implemented by random walk model. It is found the RF sheath potential enhances the impurity percentage lost at low filed side middle plane, and decreases impurity percentage drifting into core region. This beneficial effect is stronger when sheath potential is large. When turbulence transport is strong enough, their migration pattern will be dominated by transport, not by sheath potential. The Resonant Magnetic field Perturbation (RMP) is successfully applied in EAST experiment and the suppression and mitigation effect on ELM is obtained. A two field fluid model is used to simulate the plasma response to RMP in EAST geometry. The current sheet on the resonance surface is obtained initially and the resonant component of radial magnetic field is suppressed there. With plasma rotation, the Alfven resonance occurs and the current is separated into two current sheets. The simulation result will be integrated with the ELM simulations to study the effects of RMP on ELM. Prepared by LLNL under Contract DE-AC52-07NA27344 and the China Natural Science Foundation under Contract No. 11405215, 11505236 and 11675217.

Development and validation of an ICP-MS method for the determination of elemental impurities in TP-6076 active pharmaceutical ingredient (API) according to USP 〈232〉/〈233〉.

PubMed

Chahrour, Osama; Malone, John; Collins, Mark; Salmon, Vrushali; Greenan, Catherine; Bombardier, Amy; Ma, Zhongze; Dunwoody, Nick

2017-10-25

The new guidelines of the United States pharmacopeia (USP), European pharmacopeia (EP) and international conference on harmonization (ICH) regulating elemental impurities limits in pharmaceuticals signify the end of unspecific analysis of metals as outlined in USP 〈231〉. The new guidelines specify both daily doses and concentration/limits of elemental impurities in pharmaceutical final products, active pharmaceutical ingredients (API) and excipients. In chapter USP 〈233〉 method implementation, validation and quality control during the analytical process are described. We herein report the use of a stabilising matrix that overcomes low spike recovery problem encountered with Os and allows the determination of all USP required elemental impurities (As, Cd, Hg, Pb, V, Cr, Ni, Mo, Cu, Pt, Pd, Ru, Rh, Os and Ir) in a single analysis. The matrix was used in the validation of a method to determine elemental impurities in TP-6076 active pharmaceutical ingredient (API) by ICP-MS according to the procedures defined in USP〈233〉 and to GMP requirements. This validation will support the regulatory submission of TP-6076 which is a novel tetracycline analogue effective against the most urgent multidrug-resistant gram-negative bacteria. Evaluation of TP-6076 in IND-enabling toxicology studies has led to the initiation of a phase 1 clinical trial. Copyright © 2017 Elsevier B.V. All rights reserved.

Direct evidence of recombination between electrons in InGaN quantum discs and holes in p-type GaN.

PubMed

Sun, Xiaoxiao; Wang, Xinqiang; Wang, Ping; Wang, Tao; Sheng, Bowen; Zheng, Xiantong; Li, Mo; Zhang, Jian; Yang, Xuelin; Xu, Fujun; Ge, Weikun; Shen, Bo

2017-11-27

Intense emission from an InGaN quantum disc (QDisc) embedded in a GaN nanowire p-n junction is directly resolved by performing cathodoluminescence spectroscopy. The luminescence observed from the p-type GaN region is exclusively dominated by the emission at 380 nm, which has been usually reported as the emission from Mg induced impurity bands. Here, we confirm that the robust emission from 380 nm is actually not due to the Mg induced impurity bands, but rather due to being the recombination between electrons in the QDisc and holes in the p-type GaN. This identification helps to get a better understanding of the confused luminescence from nanowires with thin QDiscs embedded for fabricating electrically driven single photon emitters.

Quantification of active pharmaceutical ingredient and impurities in sildenafil citrate obtained from the Internet.

PubMed

Veronin, Michael A; Nutan, Mohammad T; Dodla, Uday Krishna Reddy

2014-10-01

The accessibility of prescription drugs produced outside of the United States, most notably sildenafil citrate (innovator product, Viagra®), has been made much easier by the Internet. Of greatest concern to clinicians and policymakers is product quality and patient safety. The US Food and Drug Administration (FDA) has issued warnings to potential buyers that the safety of drugs purchased from the Internet cannot be guaranteed, and may present a health risk to consumers from substandard products. The objective of this study was to determine whether generic sildenafil citrate tablets from international markets obtained via the Internet are equivalent to the US innovator product regarding major aspects of pharmaceutical quality: potency, accuracy of labeling, and presence and level of impurities. This will help identify aspects of drug quality that may impact public health risks. A total of 15 sildenafil citrate tablets were obtained for pharmaceutical analysis: 14 generic samples from international Internet pharmacy websites and the US innovator product. According to US Pharmacopeial guidelines, tablet samples were tested using high-performance liquid chromatography for potency of active pharmaceutical ingredient (API) and levels of impurities (impurities A, B, C, and D). Impurity levels were compared with International Conference on Harmonisation (ICH) limits. Among the 15 samples, 4 samples possessed higher impurity B levels than the ICH qualification threshold, 8 samples possessed higher impurity C levels than the ICH qualification threshold, and 4 samples possessed more than 1% impurity quantity of maximum daily dose (MDD). For API, 6 of the samples failed to fall within the 5% assay limit. Quality assurance tests are often used to detect formulation defects of drug products during the manufacturing and/or storage process. Results suggest that manufacturing standards for sildenafil citrate generic drug products compared with the US innovator product are not equivalent with regards to potency and levels of impurities. These findings have implications for safety and effectiveness that should be addressed by clinicians to safeguard consumers who choose to purchase sildenafil citrate and foreign-manufactured drugs, in general, via the Internet.

Quantification of active pharmaceutical ingredient and impurities in sildenafil citrate obtained from the Internet

PubMed Central

Nutan, Mohammad T.; Dodla, Uday Krishna Reddy

2014-01-01

Background: The accessibility of prescription drugs produced outside of the United States, most notably sildenafil citrate (innovator product, Viagra®), has been made much easier by the Internet. Of greatest concern to clinicians and policymakers is product quality and patient safety. The US Food and Drug Administration (FDA) has issued warnings to potential buyers that the safety of drugs purchased from the Internet cannot be guaranteed, and may present a health risk to consumers from substandard products. Objective: The objective of this study was to determine whether generic sildenafil citrate tablets from international markets obtained via the Internet are equivalent to the US innovator product regarding major aspects of pharmaceutical quality: potency, accuracy of labeling, and presence and level of impurities. This will help identify aspects of drug quality that may impact public health risks. Methods: A total of 15 sildenafil citrate tablets were obtained for pharmaceutical analysis: 14 generic samples from international Internet pharmacy websites and the US innovator product. According to US Pharmacopeial guidelines, tablet samples were tested using high-performance liquid chromatography for potency of active pharmaceutical ingredient (API) and levels of impurities (impurities A, B, C, and D). Impurity levels were compared with International Conference on Harmonisation (ICH) limits. Results: Among the 15 samples, 4 samples possessed higher impurity B levels than the ICH qualification threshold, 8 samples possessed higher impurity C levels than the ICH qualification threshold, and 4 samples possessed more than 1% impurity quantity of maximum daily dose (MDD). For API, 6 of the samples failed to fall within the 5% assay limit. Conclusions: Quality assurance tests are often used to detect formulation defects of drug products during the manufacturing and/or storage process. Results suggest that manufacturing standards for sildenafil citrate generic drug products compared with the US innovator product are not equivalent with regards to potency and levels of impurities. These findings have implications for safety and effectiveness that should be addressed by clinicians to safeguard consumers who choose to purchase sildenafil citrate and foreign-manufactured drugs, in general, via the Internet. PMID:25360239

Bond-center hydrogen in dilute Si1-xGex alloys: Laplace deep-level transient spectroscopy

NASA Astrophysics Data System (ADS)

Bonde Nielsen, K.; Dobaczewski, L.; Peaker, A. R.; Abrosimov, N. V.

2003-07-01

We apply Laplace deep-level transient spectroscopy in situ after low-temperature proton implantation into dilute Si1-xGex alloys and identify the deep donor state of hydrogen occupying a strained Si-Si bond-center site next to Ge. The activation energy of the electron emission from the donor is ˜158 meV when extrapolated to zero electrical field. We construct a configuration diagram of the Ge-strained site from formation and annealing data and deduce that alloying with ˜1% Ge does not significantly influence the low-temperature migration of hydrogen as compared to elemental Si. We observe two bond-center-type carbon-hydrogen centers and conclude that carbon impurities act as much stronger traps for hydrogen than the alloy Ge atoms.

Structural and electrical properties of Se-hyperdoped Si via ion implantation and flash lamp annealing

NASA Astrophysics Data System (ADS)

Liu, Fang; Prucnal, S.; Yuan, Ye; Heller, R.; Berencén, Y.; Böttger, R.; Rebohle, L.; Skorupa, W.; Helm, M.; Zhou, S.

2018-06-01

We report on the hyperdoping of silicon with selenium obtained by ion implantation followed by flash lamp annealing. It is shown that the degree of crystalline lattice recovery of the implanted layers and the Se substitutional fraction depend on the pulse duration and energy density of the flash. While the annealing at low energy densities leads to an incomplete recrystallization, annealing at high energy densities results in a decrease of the substitutional fraction of impurities. The electrical properties of the implanted layers are well-correlated with the structural properties resulting from different annealing processing.

Method of treating intermetallic alloy hydrogenation/oxidation catalysts for improved impurity poisoning resistance, regeneration and increased activity

DOEpatents

Wright, R.B.

1992-01-14

Alternate, successive high temperature oxidation and reduction treatments, in either order, of intermetallic alloy hydrogenation and intermetallic alloy oxidation catalysts unexpectedly improves the impurity poisoning resistance, regeneration capacity and/or activity of the catalysts. The particular alloy, and the final high temperature treatment given alloy (oxidation or reduction) will be chosen to correspond to the function of the catalyst (oxidation or hydrogenation). 23 figs.

Deep-level transient spectroscopy of Pd-H complexes in silicon

NASA Astrophysics Data System (ADS)

Sachse, J.-U.; Weber, J.; Lemke, H.

2000-01-01

The interaction of atomic hydrogen with substitutional palladium impurities is studied in n- and p-type Si by deep-level transient spectroscopy. After wet-chemical etching, we determine seven different electrically active and at least one passive palladium hydrogen complex. The levels belong to Pd complexes with different number of hydrogen atoms. The PdH1 complex exhibits one level E(200) at EC-0.43 eV. PdH2 has two levels E(60) at EC-0.10 eV and H(280) at EV+0.55 eV. Four levels are assigned to the PdH3 complex E(160) at EC-0.29 eV, H(140) at EV+0.23 eV, H(55) at EV+0.08 eV, and H(45) at EV+0.07 eV. An electrically passive complex is associated with a PdH4 complex. There is great similarity with the correspondent complexes in Pt-doped Si. Annealing above 650 K destroys all hydrogen related complexes and restores the original substitutional Pd concentration.

International Conference on Defects in Semiconductors (16th) Held in Bethlehem, Pennsylvania on 22-26 July 1991

DTIC Science & Technology

1992-04-30

SILICON S.J.SFERCO-, M.C.G.PASSEGGI" and M.A.CARAVACA*" "INTEC, Casilla de Correo 91, 8000-Santa Fe, ARGENTINA. "Facultad e Ciencias Ezactas y... Naturales y Agrimenaura, 94,00- Corrientes, ARGENTINA. Electronic Structure and Electric Field Gradient (EFG) calculations for the single Cd impurity in

Theory of copper impurities in ZnO

NASA Astrophysics Data System (ADS)

Lyons, John; Alkauskas, Audrius; Janotti, Anderson; van de Walle, Chris G.

Due to its connection to deep luminescence signals and its potential use as an acceptor dopant, copper has been one the most studied impurities in ZnO. From experiment, copper incorporating on the Zn site (CuZn) is known to lead to an acceptor level residing near the conduction band of ZnO, making CuZn an exceedingly deep acceptor. CuZn in ZnO has also long been linked with broad 2.4 eV green luminescence (GL) signals. In this work we explore the electrical and optical properties of Cu in ZnO using density functional theory (DFT). Due to the limitations of traditional forms of DFT, an accurate theoretical description of the electrical and optical properties of such deep centers has been difficult to achieve. Here we employ a screened hybrid density functional (HSE) to calculate the properties of Cu in ZnO. We determine the thermodynamic transition levels associated with CuZn in ZnO as well as the associated luminescence lineshapes of characteristic optical transitions. We find that HSE-calculated optical transitions are in close agreement with experimental studies. This work was supported in part by NSF and by ARO.

76 FR 67746 - Revised Guidance for Industry on Impurities: Residual Solvents in New Veterinary Medicinal...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-11-02

... DEPARTMENT OF HEALTH AND HUMAN SERVICES Food and Drug Administration [Docket No. FDA-1999-D-2955] Revised Guidance for Industry on Impurities: Residual Solvents in New Veterinary Medicinal Products... Veterinary Medicinal Products, Active Substances and Excipients (Revision)'' VICH GL18(R). This revised...

High-efficiency impurity activation by precise control of cooling rate during atmospheric pressure thermal plasma jet annealing of 4H-SiC wafer

NASA Astrophysics Data System (ADS)

Maruyama, Keisuke; Hanafusa, Hiroaki; Ashihara, Ryuhei; Hayashi, Shohei; Murakami, Hideki; Higashi, Seiichiro

2015-06-01

We have investigated high-temperature and rapid annealing of a silicon carbide (SiC) wafer by atmospheric pressure thermal plasma jet (TPJ) irradiation for impurity activation. To reduce the temperature gradient in the SiC wafer, a DC current preheating system and the lateral back-and-forth motion of the wafer were introduced. A maximum surface temperature of 1835 °C within 2.4 s without sample breakage was achieved, and aluminum (Al), phosphorus (P), and arsenic (As) activations in SiC were demonstrated. We have investigated precise control of heating rate (Rh) and cooling rate (Rc) during rapid annealing of P+-implanted 4H-SiC and its impact on impurity activation. No dependence of resistivity on Rh was observed, while increasing Rc significantly decreased resistivity. A minimum resistivity of 0.0025 Ω·cm and a maximum carrier concentration of 2.9 × 1020 cm-3 were obtained at Rc = 568 °C/s.

Synthesis of compounds related to the anti-migraine drug eletriptan hydrobromide.

PubMed

Madasu, Suri Babu; Vekariya, Nagaji Ambabhai; Kiran, M N V D Hari; Gupta, Badarinadh; Islam, Aminul; Douglas, Paul S; Babu, Korupolu Raghu

2012-01-01

Eletriptan hydrobromide (1) is a selective serotonin (5-HT(1)) agonist, used for the acute treatment of the headache phase of migraine attacks. During the manufacture of eletriptan hydrobromide the formation of various impurities were observed and identified by LC-MS. To control the formation of these impurities during the preparation of active pharmaceutical ingredients, the structure of the impurities must be known. Major impurities of the eletriptan hydrobromide synthesis were prepared and characterized by using various spectroscopic techniques, i.e., mass spectroscopy, FTIR , (1)H NMR, (13)C NMR/DEPT, and further confirmed by co-injection in HPLC. The present study will be of great help in the synthesis of highly pure eletriptan hydrobromide related compounds.

Synthesis of compounds related to the anti-migraine drug eletriptan hydrobromide

PubMed Central

Madasu, Suri Babu; Kiran, M N V D Hari; Gupta, Badarinadh; Islam, Aminul; Douglas, Paul S; Babu, Korupolu Raghu

2012-01-01

Summary Eletriptan hydrobromide (1) is a selective serotonin (5-HT1) agonist, used for the acute treatment of the headache phase of migraine attacks. During the manufacture of eletriptan hydrobromide the formation of various impurities were observed and identified by LC–MS. To control the formation of these impurities during the preparation of active pharmaceutical ingredients, the structure of the impurities must be known. Major impurities of the eletriptan hydrobromide synthesis were prepared and characterized by using various spectroscopic techniques, i.e., mass spectroscopy, FTIR , 1H NMR, 13C NMR/DEPT, and further confirmed by co-injection in HPLC. The present study will be of great help in the synthesis of highly pure eletriptan hydrobromide related compounds. PMID:23019477

Dynamics of Defects and Dopants in Complex Systems: Si and Oxide Surfaces and Interfaces

NASA Astrophysics Data System (ADS)

Kirichenko, Taras; Yu, Decai; Banarjee, Sanjay; Hwang, Gyeong

2004-10-01

Fabrication of forthcoming nanometer scale electronic devices faces many difficulties including formation of extremely shallow and highly doped junctions. At present, ultra-low-energy ion implantation followed by high-temperature thermal annealing is most widely used to fabricate such ultra-shallow junctions. In the process, a great challenge lies in achieving precise control of redistribution and electrical activation of dopant impurities. Native defects (such as vacancies and interstitials) generated during implantation are known to be mainly responsible for the TED and also influence significantly the electrical activation/deactivation. Defect-dopant dynamics is rather well understood in crystalline Si and SiO2. However, little is known about their diffusion and annihilation (or precipitation) at the surfaces and interfaces, despite its growing importance in determining junction profiles as device dimensions get smaller. In this talk, we will present our density functional theory calculation results on the atomic and electronic structure and dynamical behavior of native defects and dopant-defect complexes in disordered/strained Si and oxide systems, such as i) clean and absorbent-modified Si(100) surface and subsurface layers, ii) amorphous-crystalline Si interfaces and iii) amorphous SiO2/Si interfaces. The fundamental understanding and data is essential in developing a comprehensive kinetic model for junction formation, which would contribute greatly in improving current process technologies.

Density functional theory determination of structural and electronic properties of struvite.

PubMed

Romanowski, Zbigniew; Kempisty, Paweł; Prywer, Jolanta; Krukowski, Stanisław; Torzewska, Agnieszka

2010-07-29

Crystallographic structure, total energy, electronic structure, and the most important elastic properties of struvite, NH(4)MgPO(4).6H(2)O, the main component of infectious urinary stones, are presented. The calculations were performed using ab initio full-electron calculations within the density functional theory-generalized gradient approximation (DFT-GGA) framework. The obtained crystallographic symmetry and the calculated lattice parameters and also the elastic constants are in good agreement with the experimental data. The elastic properties are essential for establishing an optimal response of urinary stones during shock-wave lithotripsy. The calculated electronic charge distribution confirms the layered structure of the struvite crystals. The polar character of the crystal, well-known from crystal growth experiments, was also confirmed by the magnitude of spontaneous polarization which was obtained from direct determination of the electrical dipole density. The calculated value of spontaneous polarization is equal to -8.8 microC cm(-2). This feature may play a key role in struvite crystallization, electrically binding the charged active impurities and other active species, and consequently determining urinary stone formation. We also present the results of our own experiment of the mineralization of struvite induced to growth by Proteus bacteria which are mainly isolated from infectious urinary stones.

Local gas injection as a scrape-off layer diagnostic on the Alcator C-Mod tokamak

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jablonski, David F.

1996-05-01

A capillary puffing array has been installed on Alcator C-Mod which allows localized introduction of gaseous species in the scrape-off layer. This system has been utilized in experiments to elucidate both global and local properties of edge transport. Deuterium fueling and recycling impurity screening are observed to be characterized by non-dimensional screening efficiencies which are independent of the location of introduction. In contrast, the behavior of non-recycling impurities is seen to be characterized by a screening time which is dependent on puff location. The work of this thesis has focused on the use of the capillary array with a cameramore » system which can view impurity line emission plumes formed in the region of an injection location. The ionic plumes observed extend along the magnetic field line with a comet-like asymmetry, indicative of background plasma ion flow. The flow is observed to be towards the nearest strike-point, independent of x-point location, magnetic field direction, and other plasma parameters. While the axes of the plumes are generally along the field line, deviations are seen which indicate cross-field ion drifts. A quasi-two dimensional fluid model has been constructed to use the plume shapes of the first charge state impurity ions to extract information about the local background plasma, specifically the temperature, parallel flow velocity, and radial electric field. Through comparisons of model results with those of a three dimensional Monte Carlo code, and comparisons of plume extracted parameters with scanning probe measurements, the efficacy of the model is demonstrated. Plume analysis not only leads to understandings of local edge impurity transport, but also presents a novel diagnostic technique.« less

Understanding of impurity poloidal distribution in the edge pedestal by modelling

NASA Astrophysics Data System (ADS)

Rozhansky, V.; Kaveeva, E.; Molchanov, P.; Veselova, I.; Voskoboynikov, S.; Coster, D.; Fable, E.; Puetterich, T.; Viezzer, E.; Kukushkin, A. S.; Kirk, A.; the ASDEX Upgrade Team

2015-07-01

Simulation of an H-mode ASDEX Upgrade shot with boron impurity was done with the B2SOLPS5.2 transport code. Simulation results were compared with the unique experimental data available for the chosen shot: radial density, electron and ion temperature profiles in the equatorial midplanes, radial electric field profile, radial profiles of the parallel velocity of impurities at the low-field side (LFS) and high-field side (HFS), radial density profiles of impurity ions at LHS and HFS. Simulation results reproduce all available experimental data simultaneously. In particular strong poloidal HFS-LFS asymmetry of B5+ ions was predicted in accordance with the experiment. The simulated HFS B5+ density inside the edge transport barrier is twice larger than that at LFS. This is consistent with the experimental observations where even larger impurity density asymmetry was observed. A similar effect was predicted in the simulation done for the MAST H-mode. Here the HFS density of He2+ is predicted to be 4 times larger than that at LHS. Such a large predicted asymmetry is connected with a larger ratio of HFS and LFS magnetic fields which is typical for spherical tokamaks. The HFS/LFS asymmetry was not measured in the experiment, however modelling qualitatively reproduces the observed change of sign of He+parallel velocity to the counter-current direction at LFS. The understanding of the asymmetry is based on neoclassical effects in plasma with strong gradients. It is demonstrated that simulation results obtained with account of sources of ionization, realistic geometry and turbulent transport are consistent with the simplified analytical approach. Difference from the standard neoclassical theory is emphasized.

Accurate determination of non-metallic impurities in high purity tetramethylammonium hydroxide using inductively coupled plasma tandem mass spectrometry

NASA Astrophysics Data System (ADS)

Fu, Liang; Xie, Hualin; Shi, Shuyun; Chen, Xiaoqing

2018-06-01

The content of non-metallic impurities in high-purity tetramethylammonium hydroxide (HPTMAH) aqueous solution has an important influence on the yield, electrical properties and reliability of the integrated circuit during the process of chip etching and cleaning. Therefore, an efficient analytical method to directly quantify the content of non-metallic impurities in HPTMAH aqueous solutions is necessary. The present study was aimed to develop a novel method that can accurately determine seven non-metallic impurities (B, Si, P, S, Cl, As, and Se) in an aqueous solution of HPTMAH by inductively coupled plasma tandem mass spectrometry (ICP-MS/MS). The samples were measured using a direct injection method. In the MS/MS mode, oxygen and hydrogen were used as reaction gases in the octopole reaction system (ORS) to eliminate mass spectral interferences during the analytical process. The detection limits of B, Si, P, S, Cl, As, and Se were 0.31, 0.48, 0.051, 0.27, 3.10, 0.008, and 0.005 μg L-1, respectively. The samples were analyzed by the developed method and the sector field inductively coupled plasma mass spectrometry (SF-ICP-MS) was used for contrastive analysis. The values of these seven elements measured using ICP-MS/MS were consistent with those measured by SF-ICP-MS. The proposed method can be utilized to analyze non-metallic impurities in HPTMAH aqueous solution. Table S2 Multiple potential interferences on the analytes. Table S3 Parameters of calibration curve and the detection limit (DL). Table S4 Results obtained for 25% concentration high-purity grade TMAH aqueous solution samples (μg L-1, mean ± standard deviation, n = 10).

Polydispersity-driven topological defects as order-restoring excitations.

PubMed

Yao, Zhenwei; Olvera de la Cruz, Monica

2014-04-08

The engineering of defects in crystalline matter has been extensively exploited to modify the mechanical and electrical properties of many materials. Recent experiments on manipulating extended defects in graphene, for example, show that defects direct the flow of electric charges. The fascinating possibilities offered by defects in two dimensions, known as topological defects, to control material properties provide great motivation to perform fundamental investigations to uncover their role in various systems. Previous studies mostly focus on topological defects in 2D crystals on curved surfaces. On flat geometries, topological defects can be introduced via density inhomogeneities. We investigate here topological defects due to size polydispersity on flat surfaces. Size polydispersity is usually an inevitable feature of a large variety of systems. In this work, simulations show well-organized induced topological defects around an impurity particle of a wrong size. These patterns are not found in systems of identical particles. Our work demonstrates that in polydispersed systems topological defects play the role of restoring order. The simulations show a perfect hexagonal lattice beyond a small defective region around the impurity particle. Elasticity theory has demonstrated an analogy between the elementary topological defects named disclinations to electric charges by associating a charge to a disclination, whose sign depends on the number of its nearest neighbors. Size polydispersity is shown numerically here to be an essential ingredient to understand short-range attractions between like-charge disclinations. Our study suggests that size polydispersity has a promising potential to engineer defects in various systems including nanoparticles and colloidal crystals.

Method for Determination of Less Than 5 ppm Oxygen in Sodium Samples

NASA Technical Reports Server (NTRS)

Reid, R. S.; Martin, J. J.; Schmidt, G. L.

2005-01-01

Alkali metals used in pumped loops or heat pipes must be sufficiently free of nonmetallic impurities to ensure long heat rejection system life. Life issues are well established for alkali metal systems. Impurities can form ternary compounds between the container and working fluid, leading to corrosion. This Technical Memorandum discusses the consequences of impurities and candidate measurement techniques to determine whether impurities have been reduced to suf.ciently low levels within a single-phase liquid metal loop or a closed two-phase heat transfer system, such as a heat pipe. These techniques include the vanadium wire equilibration, neutron activation analysis, plug traps, distillation, and chemical analysis. Conceptual procedures for performing vanadium wire equilibration purity measurements on sodium contained in a heat pipe are discussed in detail.

Electrometallurgy of Silicon

DTIC Science & Technology

1988-01-01

wind, plants, and water impounded in elevated reservoirs. Photovoltaic or solar cells, which convert sunlight directly to electricity, belongs tc, the...on record is that of St. Claire DeVille, who claimed that silicon was produced by electrolysing an impure melt of NaAlC14, but his material did not...this composition and purified melts were electrolysed at about 14500C in graphite crucible and using graphite electrodes. Applied potentials were

REACTOR

DOEpatents

Spitzer, L. Jr.

1962-01-01

The system conteraplates ohmically heating a gas to high temperatures such as are useful in thermonuclear reactors of the stellarator class. To this end the gas is ionized and an electric current is applied to the ionized gas ohmically to heat the gas while the ionized gas is confined to a central portion of a reaction chamber. Additionally, means are provided for pumping impurities from the gas and for further heating the gas. (AEC)

Segregation of impurities at γ' (L12) / γ (fcc) interfaces in a Ni-based superalloy

NASA Astrophysics Data System (ADS)

Tafen, De Nyago; Gao, Michael

2011-03-01

One of the most technologically advanced energy conversion devices is the gas turbine used in aerospace jet engines and gas- fired land-based turbines for electricity generation, fabricated from Ni-based superalloys. However, these materials lack of long- term mechanical and microstructure stability, which is largely due to an excessive coarsening of γ ' that can cause substantial loss of creep resistance and mechanical instability at high temperatures. Theoretical prediction of the creep rate of these important compounds is very imperative, but yet is extremely challenging. Interfacial energy is one of the most important factors that control the coarsening kinetics of these important phases. It indirectly determines the creep resistance of the alloy through the coarsening rate of the strengthening precipitate phase. In this talk, we will present the results of various γ ' / γ interfaces of a Ni-based superalloy obtained using DFT calculations. Then, we will discuss the segregation of impurities at these interfaces. Minor alloying elements in superalloys can alter the interfacial energy between γ and γ ' , and change the strength behavior of the alloy. Alloying elements or impurity species can segregate to interfaces. A favorable segregation would result in enhancing the interfacial cohesion and thus lower the energy.

A first-principles study of impurity effects on monolayer MoS2: bandgap dominated by donor impurities

NASA Astrophysics Data System (ADS)

Zhang, Hua; Zhou, Wenzhe; Yang, Zhixiong; Wu, Shoujian; Ouyang, Fangping; Xu, Hui

2017-12-01

Based on the first principles calculation, the electrical properties and optical properties of monolayer molybdenum disulfide (MoS2) substitutionally doped by the VB and VIIB transition metal atoms (V, Nb, Ta, Mn, Tc, Re) were investigated. It is found that n-type doping or p-type doping tunes the Fermi level into the conduction band or the valence band respectively, leading to the degenerate semiconductor, while the compensatorily doped systems where the number of valence electrons is not alerted remain direct band gap ranging from 0.958 eV to 1.414 eV. According to the analysis on densities of states, the LUMO orbitals of donor impurities play the crucial role in band gap tuning. Hence, the band gap and optical properties of doped MoS2 are dominated by the species of the donor. Due to the reduction of the band gap, doped MoS2 have a lower threshold energy of photon absorption and an enhanced absorption in near infrared region. These results provide a significant guidance for the design of new 2D optoelectronic materials based on transition metal disulfide.

Above room temperature ferromagnetism in Si:Mn and TiO(2-delta)Co.

PubMed

Granovsky, A; Orlov, A; Perov, N; Gan'shina, E; Semisalova, A; Balagurov, L; Kulemanov, I; Sapelkin, A; Rogalev, A; Smekhova, A

2012-09-01

We present recent experimental results on the structural, electrical, magnetic, and magneto-optical properties of Mn-implanted Si and Co-doped TiO(2-delta) magnetic oxides. Si wafers, both n- and p-type, with high and low resistivity, were used as the starting materials for implantation with Mn ions at the fluencies up to 5 x 10(16) cm(-2). The saturation magnetization was found to show the lack of any regular dependence on the Si conductivity type, type of impurity and the short post-implantation annealing. According to XMCD Mn impurity in Si does not bear any appreciable magnetic moment at room temperature. The obtained results indicate that above room temperature ferromagnetism in Mn-implanted Si originates not from Mn impurity but rather from structural defects in Si. The TiO(2-delta):Co thin films were deposited on LaAlO3 (001) substrates by magnetron sputtering in the argon-oxygen atmosphere at oxygen partial pressure of 2 x 10(-6)-2 x 10(-4) Torr. The obtained transverse Kerr effect spectra at the visible and XMCD spectra indicate on intrinsic room temperature ferromagnetism in TiO(2-delta):Co thin films at low (< 1%) volume fraction of Co.

Recovery of V(V) from complex vanadium solution using capacitive deionization (CDI) with resin/carbon composite electrode.

PubMed

Bao, Shenxu; Duan, Jihua; Zhang, Yimin

2018-05-25

The resin-activated carbon composite (RAC) electrodes were fabricated and applied in capacitive deionization for recovery of V(V) from complex vanadium solution. The adsorption capacity of the RAC electrode for V(V) is extremely low and the reduction of V(V) is significant in low pH solution, but the adsorbed V(V) on the electrode increases obviously and the reduction of V(V) gradually diminishes with the rise of pH. However, as the pH is increased to 10, the adsorbed V(V) on the RAC electrode declines. The higher applied potential is beneficial to the adsorption of V(V) and 1.0 V is appropriate for the adsorption. The impurities ions (Al, P and Si) are mainly adsorbed in the electric double layers on the RAC electrode and V(V) is dominantly adsorbed by the resins in the electrode. The adsorbed impurity ions can be easily removed by diluted H 2 SO 4 and V(V) can be effectively eluted by 10% NaOH solution. The vanadium-bearing eluent can be recycled to recover and enrich vanadium from the complex solution. The performance of the RAC electrode keeps stable during the cyclic operation. This study may provide a promising and novel method for the recovery and separation of metals from aqueous solution. Copyright © 2018 Elsevier Ltd. All rights reserved.

Identification of process related trace level impurities in the actinide decorporation agent 3,4,3-LI(1,2-HOPO): Nozzle–skimmer fragmentation via ESI LC–QTOFMS

DOE PAGES

Panyala, Nagender R.; Sturzbecher-Hoehne, Manuel; Abergel, Rebecca J.

2014-08-12

We report that 3,4,3-LI(1,2-HOPO) is a chelating ligand and decorporation agent that can remove radioactive lanthanides and actinides from the body. Identification of trace impurities in drug samples is gaining much interest due to their significant influence on drug activity. In this study, trace impurities were detected in manufactured lots of 3,4,3-LI(1,2-HOPO) by a developed method of Liquid Chromatography coupled with photo-diode array UV detection and Electrospray Ionization-Quadrupole Time of Flight Mass spectrometry (LC-QTOFMS), via induced-in-source or collision-induced mass fragmentation (Nozzle-Skimmer Fragmentation). Molecular ions were fragmented within the nozzle-skimmer region of electrospray ionization (ESI) mass spectrometer equipped with a Timemore » of Flight detector. Eight major (detected at levels higher than a 0.1% threshold) and seven minor trace impurities were identified. The respective structures of these impurities were elucidated via analysis of the generated fragment ions using mass fragmentation and elemental composition software. Proposed structures of impurities were further confirmed via isotopic modeling.« less

Ion Heating During Local Helicity Injection Plasma Startup in the Pegasus ST

NASA Astrophysics Data System (ADS)

Burke, M. G.; Barr, J. L.; Bongard, M. W.; Fonck, R. J.; Hinson, E. T.; Perry, J. M.; Reusch, J. A.

2015-11-01

Plasmas in the Pegasus ST are initiated either through standard, MHD stable, inductive current drive or non-solenoidal local helicity injection (LHI) current drive with strong reconnection activity, providing a rich environment to study ion dynamics. During LHI discharges, a large amount of impurity ion heating has been observed, with the passively measured impurity Ti as high as 800 eV compared to Ti ~ 60 eV and Te ~ 175 eV during standard inductive current drive discharges. In addition, non-thermal ion velocity distributions are observed and appear to be strongest near the helicity injectors. The ion heating is hypothesized to be a result of large-scale magnetic reconnection activity, as the amount of heating scales with increasing fluctuation amplitude of the dominant, edge localized, n =1 MHD mode. An approximate temporal scaling of the heating with the amplitude of higher frequency magnetic fluctuations has also been observed, with large amounts of power spectral density present at several impurity ion cyclotron frequencies. Recent experiments have focused on investigating the impurity ion heating scaling with the ion charge to mass ratio as well as the reconnecting field strength. The ion charge to mass ratio was modified by observing different impurity charge states in similar LHI plasmas while the reconnecting field strength was modified by changing the amount of injected edge current. Work supported by US DOE grant DE-FG02-96ER54375.

Chemometrically assisted development and validation of LC-MS/MS method for the analysis of potential genotoxic impurities in meropenem active pharmaceutical ingredient.

PubMed

Grigori, Katerina; Loukas, Yannis L; Malenović, Anđelija; Samara, Vicky; Kalaskani, Anastasia; Dimovasili, Efi; Kalovidouri, Magda; Dotsikas, Yannis

2017-10-25

A sensitive Liquid Chromatography tandem mass spectrometry (LC-MS/MS) method was developed and validated for the quantitative analysis of three potential genotoxic impurities (318BP, M9, S5) in meropenem Active Pharmaceutical Ingredient (API). Due to the requirement for LOD values in ppb range, a high concentration of meropenem API (30mg/mL) had to be injected. Therefore, efficient determination of meropenem from its impurities became a critical aim of this study, in order to divert meropenem to waste, via a switching valve. ‎ After the selection of the important factors affecting analytes' elution, a Box-Behnken design was utilized to set the plan of experiments conducted with UV detector. As responses, the separation factor s between the last eluting impurity and meropenem, as well as meropenem retention factor k were used. Grid point search methodology was implemented aiming to obtain the optimal conditions that simultaneously comply to the conflicted criteria. Optimal mobile phase consisted of ACN, methanol and 0.09% HCOOH at a ratio 71/3.5/15.5v/v. All impurities and internal standard omeprazole were eluted before 7.5min and at 8.0min the eluents were directed to waste. The protocol was transferred to LC-MS/MS and validated according to ICH guidelines. Copyright © 2017 Elsevier B.V. All rights reserved.

Measurement of poloidal velocity on the National Spherical Torus Experiment (invited).

PubMed

Bell, Ronald E; Feder, Russell

2010-10-01

A diagnostic suite has been developed to measure the impurity poloidal flow using charge exchange recombination spectroscopy on the National Spherical Torus Experiment. Toroidal and poloidal viewing systems measure all the quantities required to determine the radial electric field. Two sets of up/down symmetric poloidal views are used to measure both the active emission in the plane of the neutral heating beams and the background emission in a radial plane away from the neutral beams. Differential velocity measurements isolate the line-integrated poloidal velocity from apparent flows due to the energy-dependent charge exchange cross section. Six f/1.8 spectrometers measure 276 spectra to obtain 75 active and 63 background channels every 10 ms. The local measurements from a similar midplane toroidal viewing system are mapped into two dimensions to allow the inversion of poloidal line-integrated measurements to obtain local poloidal velocity profiles. The radial resolution after inversion is 0.6-1.8 cm from the plasma edge to the center.

The effects of deep level traps on the electrical properties of semi-insulating CdZnTe

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zha, Gangqiang; Yang, Jian; Xu, Lingyan

2014-01-28

Deep level traps have considerable effects on the electrical properties and radiation detection performance of high resistivity CdZnTe. A deep-trap model for high resistivity CdZnTe was proposed in this paper. The high resistivity mechanism and the electrical properties were analyzed based on this model. High resistivity CdZnTe with high trap ionization energy E{sub t} can withstand high bias voltages. The leakage current is dependent on both the deep traps and the shallow impurities. The performance of a CdZnTe radiation detector will deteriorate at low temperatures, and the way in which sub-bandgap light excitation could improve the low temperature performance canmore » be explained using the deep trap model.« less

Concrete Embedded Dye-Synthesized Photovoltaic Solar Cell

PubMed Central

Hosseini, T.; Flores-Vivian, I.; Sobolev, K.; Kouklin, N.

2013-01-01

This work presents the concept of a monolithic concrete-integrated dye-synthesized photovoltaic solar cell for optical-to-electrical energy conversion and on-site power generation. The transport measurements carried out in the dark revealed the presence of VOC of ~190 mV and ISC of ~9 μA, induced by the electrochemical conversion of concrete-supplied ionic impurities at the electrodes. The current-voltage measurements performed under illumination at incident optical powers of ~46 mW confirmed the generation of electrical power of ~0.64 μW with almost half generated via battery effect. This work presents a first step towards realizing the additional pathways to low-cost electrical power production in urban environments based on a combined use of organic dyes, nanotitania and concrete technology. PMID:24067664

Disordered Nuclear Pasta, Magnetic Field Decay, and Crust Cooling in Neutron Stars

NASA Astrophysics Data System (ADS)

Horowitz, C. J.; Berry, D. K.; Briggs, C. M.; Caplan, M. E.; Cumming, A.; Schneider, A. S.

2015-01-01

Nuclear pasta, with nonspherical shapes, is expected near the base of the crust in neutron stars. Large-scale molecular dynamics simulations of pasta show long lived topological defects that could increase electron scattering and reduce both the thermal and electrical conductivities. We model a possible low-conductivity pasta layer by increasing an impurity parameter Qimp . Predictions of light curves for the low-mass x-ray binary MXB 1659-29, assuming a large Qimp, find continued late time cooling that is consistent with Chandra observations. The electrical and thermal conductivities are likely related. Therefore, observations of late time crust cooling can provide insight on the electrical conductivity and the possible decay of neutron star magnetic fields (assuming these are supported by currents in the crust).

Disordered nuclear pasta, magnetic field decay, and crust cooling in neutron stars.

PubMed

Horowitz, C J; Berry, D K; Briggs, C M; Caplan, M E; Cumming, A; Schneider, A S

2015-01-23

Nuclear pasta, with nonspherical shapes, is expected near the base of the crust in neutron stars. Large-scale molecular dynamics simulations of pasta show long lived topological defects that could increase electron scattering and reduce both the thermal and electrical conductivities. We model a possible low-conductivity pasta layer by increasing an impurity parameter Q_{imp}. Predictions of light curves for the low-mass x-ray binary MXB 1659-29, assuming a large Q_{imp}, find continued late time cooling that is consistent with Chandra observations. The electrical and thermal conductivities are likely related. Therefore, observations of late time crust cooling can provide insight on the electrical conductivity and the possible decay of neutron star magnetic fields (assuming these are supported by currents in the crust).

Thermoelectric Properties and Thermal Tolerance of Indium Tin Oxide Nanowires.

PubMed

Hernandez, Jose A; Carpena Nunez, Jennifer; Fonseca, Luis F; Pettes, Michael Thompson; Yacaman, Miguel Jose; Benitez, Alfredo

2018-06-14

Single-crystalline indium tin oxide (ITO) nanowires were grown via a vapor-liquid-solid (VLS) method, with thermal tolerance up to ~1300°C. We report the electric and thermoelectric properties of the ITO nanowires before and after heat treatments and draw conclusions about their applicability as thermoelectric building blocks in nanodevices that can operate in high temperature conditions. The Seebeck coefficient and the thermal and electrical conductivities were measured in each individual nanowire by means of specialized micro-bridge thermometry devices. Measured data was analyzed and explained in terms of changes in charge carrier density, impurities and vacancies due to the thermal treatments. © 2018 IOP Publishing Ltd.

Electrical properties of palladium-doped CaCu3Ti4O12 ceramics

NASA Astrophysics Data System (ADS)

Singh, Arashdeep; Md Mursalin, Sk.; Rana, P.; Sen, Shrabanee

2015-09-01

The effect of doping palladium (Pd) at the Cu site of CaCu3Ti4O12 powders (CCPTO) synthesized by sol-gel technique on electrical properties was studied. XRD analysis revealed the formation of CCTO and CCPTO ceramics with some minor quantities of impurities. SEM micrographs revealed that the grain size decreased with Pd doping. TEM micrographs of CCPTO powder showed the formation of irregular-shaped particles of ~40 nm. The dielectric constant and dielectric loss showed a significant enhancement with Pd doping. A significant decrease in grain-boundary resistance with Pd doping was ascertained by impedance spectroscopy study.

Electrical and magnetic properties of nano-sized magnesium ferrite

NASA Astrophysics Data System (ADS)

T, Smitha; X, Sheena; J, Binu P.; Mohammed, E. M.

2015-02-01

Nano-sized magnesium ferrite was synthesized using sol-gel techniques. Structural characterization was done using X-ray diffractometer and Fourier Transform Infrared Spectrometer. Vibration Sample Magnetometer was used to record the magnetic measurements. XRD analysis reveals the prepared sample is single phasic without any impurity. Particle size calculation shows the average crystallite size of the sample is 19nm. FTIR analysis confirmed spinel structure of the prepared samples. Magnetic measurement study shows that the sample is ferromagnetic with high degree of isotropy. Hysterisis loop was traced at temperatures 100K and 300K. DC electrical resistivity measurements show semiconducting nature of the sample.

Directed motion of vortices and annihilation of vortex-antivortex pairs in finite-gap superconductors via hot-lattice routes

NASA Astrophysics Data System (ADS)

Gulian, Ellen D.; Melkonyan, Gurgen G.; Gulian, Armen M.

2017-07-01

Using finite gap, time-dependent Ginzburg-Landau equations, generalized to include non-thermal phonons, we report numerical simulations of vortex nucleation, propagation, and annihilation in thin, finite strips of magnetic-impurity free, perfectly homogeneous superconductors. When a steady electric current passes through the strip with either surface defects or nonequilibrium phonon sources (e.g., local ;hotspots;), periodic vortex generation and annihilation is observed even in the absence of external magnetic fields. Local pulses of electric field are produced upon annihilation. The injected phonon lines steer the vortices during their motion within the strip, potentially allowing control of the annihilation site.

Influence of the type of electric discharge on the properties of the produced aluminium nanoparticles

NASA Astrophysics Data System (ADS)

Shiyan, L. N.; Yavorovskii, N. A.; Pustovalov, A. V.; Gryaznova, E. N.

2015-04-01

The effect of the method of aluminum nanopowder production on the aluminum products with water reaction is described. It has been established that the interaction of aluminum nanopowder prepared by the electric wire explosion, the phase composition of the reaction products mainly consists of boehmite (AlOOH) and has a fibrous structure. Therefore, that boehmite (AlOOH) can be used for modification of polymer membranes. The modified membranes can be used as water treatment from the impurity of formed true solutions according to adsorptive mechanism, and from colloidal nanometer and micron particles according to the mechanism of mechanical separation of particles depending on sizes.

Thermogravimetric feasibility study of argon purification using powders of titanium alloys with molybdenum and vanadium

DOE Office of Scientific and Technical Information (OSTI.GOV)

Eremeev, A.P.; Veselovskii, P.F.

1987-10-20

The high adsorption and chemical activity of titanium alloy powders (TiMo > TiV) having specific size and chemical compositions, and the nature of the surface and its specific energy characteristics permit one to use them effectively for the purification of argon and other inert gases from impurities such as water vapor, carbon dioxide gas, oxygen, and nitrogen. In agreement with the developed activity series the irreversible adsorption of impurities (1 vol. %) by the indicated powders can be controlled using powders or filters pressed from these powders by heating to temperatures of 500-700/sup 0/. The thickness of the filters canmore » be established on the basis of the rate constants of the chemical reactions of the impurities with the TiMo and TiV powders obtained in this study.« less

The structural and electrical properties of polycrystalline La0.8Ca0.17Ag0.03MnO3 manganites

NASA Astrophysics Data System (ADS)

Ruli, F.; Kurniawan, B.; Imaduddin, A.

2018-04-01

In this paper, the authors report the electrical properties of polycrystalline La0.8Ca0.17Ag0.03MnO3 manganites synthesized using sol-gel method. The X-ray diffraction (XRD) patterns of polycrystalline La0.8Ca0.17Ag0.03MnO3 samples reveal an orthorhombic perovskite structure with Pnma space group. Analysis using energy dispersive X-ray (EDX) confirms that the sample contains all expected chemical elements without any additional impurity. The measurement of resistivity versus temperature using cryogenic magnetometer was performed to investigate the electrical properties. The results show that the electrical resistivity of polycrystalline La0.8Ca0.17Ag0.03MnO3 exhibits metalic behavior below 244 K. The temperature dependence of electrical resistivity dominantly emanates from electron-electron scattering and the grain/domain boundary play a important role in conduction mechanism in polycrystalline La0.8Ca0.17Ag0.03MnO3.

B 12P 2: Improved Epitaxial Growth and Evaluation of Alpha Irradiation on its Electrical Transport Properties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Frye, Clint D.

The wide bandgap (3.35 eV) semiconductor icosahedral boron phosphide (B 12P 2) has been reported to self-heal from radiation damage from β particles (electrons) with energies up to 400 keV by demonstrating no lattice damage using transmission electron microscopy. This property could be exploited to create radioisotope batteries–semiconductor devices that directly convert the decay energy from a radioisotope to electricity. Such devices potentially have enormous power densities and decades-long lifetimes. To date, the radiation hardness of B 12P 2 has not been characterized by electrical measurements nor have B 12P 2 radioisotope batteries been realized. Therefore, this study was undertakenmore » to evaluate the radiation hardness of B 12P 2 after improving its epitaxial growth, developing ohmic electrical contacts, and reducing the residual impurities. Subsequently, the effects of radiation from a radioisotope on the electrical transport properties of B 12P 2 were tested.« less

Characterization and validation of an in silico toxicology model to predict the mutagenic potential of drug impurities*

DOE Office of Scientific and Technical Information (OSTI.GOV)

Valerio, Luis G., E-mail: luis.valerio@fda.hhs.gov; Cross, Kevin P.

Control and minimization of human exposure to potential genotoxic impurities found in drug substances and products is an important part of preclinical safety assessments of new drug products. The FDA's 2008 draft guidance on genotoxic and carcinogenic impurities in drug substances and products allows use of computational quantitative structure–activity relationships (QSAR) to identify structural alerts for known and expected impurities present at levels below qualified thresholds. This study provides the information necessary to establish the practical use of a new in silico toxicology model for predicting Salmonella t. mutagenicity (Ames assay outcome) of drug impurities and other chemicals. We describemore » the model's chemical content and toxicity fingerprint in terms of compound space, molecular and structural toxicophores, and have rigorously tested its predictive power using both cross-validation and external validation experiments, as well as case studies. Consistent with desired regulatory use, the model performs with high sensitivity (81%) and high negative predictivity (81%) based on external validation with 2368 compounds foreign to the model and having known mutagenicity. A database of drug impurities was created from proprietary FDA submissions and the public literature which found significant overlap between the structural features of drug impurities and training set chemicals in the QSAR model. Overall, the model's predictive performance was found to be acceptable for screening drug impurities for Salmonella mutagenicity. -- Highlights: ► We characterize a new in silico model to predict mutagenicity of drug impurities. ► The model predicts Salmonella mutagenicity and will be useful for safety assessment. ► We examine toxicity fingerprints and toxicophores of this Ames assay model. ► We compare these attributes to those found in drug impurities known to FDA/CDER. ► We validate the model and find it has a desired predictive performance.« less

Silicon Materials Task of the Low Cost Solar Array Project, Phase 3. Effect of Impurities and Processing on Silicon Solar Cells

NASA Technical Reports Server (NTRS)

Hopkins, R. H.; Davis, J. R.; Blais, P. D.; Rohatgi, A.; Campbell, R. B.; Rai-Choudhury, P.; Stapleton, R. E.; Mollenkopf, H. C.; Mccormick, J. R.

1979-01-01

The effects of impurities, various thermochemical processes, and any impurity process interactions on the performance of terrestrial silicon solar cells are defined. Determinations of the segregation coefficients of tungsten, tantalum, and cobalt for the Czochralski pulling of silicon single crystals are reported. Sensitive neutron activation analysis was used to determine the metal impurity content of the silicon while atomic absorption was used to measure the metal content of the residual liquid from which the doped crystals were grown. Gettering of Ti doped silicon wafers improved cell performance by one to two percent for the highest temperatures and longest times. The HCl is more effective than POCl3 treatments for deactivating Ti but POCl3 and HCl produced essentially identical results for Mo or Fe.

Comparative study on the copper activation and xanthate adsorption on sphalerite and marmatite surfaces

NASA Astrophysics Data System (ADS)

Liu, Jian; Wang, Yu; Luo, Deqiang; Chen, Luzheng; Deng, Jiushuai

2018-05-01

The copper activation and potassium butyl xanthate (PBX) adsorption on sphalerite and marmatite surfaces were comparatively investigated using in situ local electrochemical impedance spectroscopy (LEIS), time-of-flight secondary ion mass spectrometry (ToF-SIMS) and surface adsorption tests. Comparing the LEIS and surface adsorption results, it was found that the activation time is a key factor influencing the copper activation and PBX adsorption on marmatite surface, but it has a negligible influence on sphalerite. For a short activation time within 10 min, the Fe impurity in marmatite shows an adverse influence on the speed of Cu adsorption and ion exchange as well as on the subsequent PBX adsorption. For a long activation time of 30 min, the LEIS, ToF-SIMS and surface adsorption results suggested that the Fe impurity in marmatite enhances the copper adsorption, whereas such enhanced copper adsorption of marmatite cannot result in corresponding enhancing of PBX adsorption. DFT result showed that the Fe impurity in marmatite has harmful influence on the PBX interaction with the Cu-activated surface by increasing the interaction energy. ToF-SIMS result further indicated that the Cu distribution in the outermost surface of marmatite is less than that of the sphalerite, which also results in the less PBX adsorption for the marmatite.

Nitridation of SiO2 for surface passivation

NASA Technical Reports Server (NTRS)

Lai, S. K. C.

1985-01-01

An attempt is made to relate the electrical properties of silicon dioxide film to the process history. A model is proposed to explain some of the observed results. It is shown that with our present knowledge of the dielectric, silicon dioxide film shows a lot of promise for its use in surface passivation, both for its resistance to impurity diffusion and for its resistance to radiation damage effects.

Photovoltaic Cell Having A P-Type Polycrystalline Layer With Large Crystals

DOEpatents

Albright, Scot P.; Chamberlin, Rhodes R.

1996-03-26

A photovoltaic cell has an n-type polycrystalline layer and a p-type polycrystalline layer adjoining the n-type polycrystalline layer to form a photovoltaic junction. The p-type polycrystalline layer comprises a substantially planar layer portion having relatively large crystals adjoining the n-type polycrystalline layer. The planar layer portion includes oxidized impurities which contribute to obtainment of p-type electrical properties in the planar layer portion.

Optical and Electrical Characterization of Multiply Doped Silicon: A Study of the Si:(In, A1) System.

DTIC Science & Technology

1984-02-01

RFWAL-TR-83-4108 UNCLASSIFIED F33 5-8i--50 5 S F/ 2/12 NL Lmmhhhhml 1.2 11. . .4 ’sqo ItI -.9 .9 D’ ’-3.,= 1111 III1 ,1 MICROCOP REOUTO TES3 AR...is compatible with conventional charge-coupled device (CCD) signal processing, dopant and impurity uniformity is inherently superior to compound

Electron Scattering and Doping Mechanisms in Solid-Phase-Crystallized In2O3:H Prepared by Atomic Layer Deposition.

PubMed

Macco, Bart; Knoops, Harm C M; Kessels, Wilhelmus M M

2015-08-05

Hydrogen-doped indium oxide (In2O3:H) has recently emerged as an enabling transparent conductive oxide for solar cells, in particular for silicon heterojunction solar cells because its high electron mobility (>100 cm(2)/(V s)) allows for a simultaneously high electrical conductivity and optical transparency. Here, we report on high-quality In2O3:H prepared by a low-temperature atomic layer deposition (ALD) process and present insights into the doping mechanism and the electron scattering processes that limit the carrier mobility in such films. The process consists of ALD of amorphous In2O3:H at 100 °C and subsequent solid-phase crystallization at 150-200 °C to obtain large-grained polycrystalline In2O3:H films. The changes in optoelectronic properties upon crystallization have been monitored both electrically by Hall measurements and optically by analysis of the Drude response. After crystallization, an excellent carrier mobility of 128 ± 4 cm(2)/(V s) can be obtained at a carrier density of 1.8 × 10(20) cm(-3), irrespective of the annealing temperature. Temperature-dependent Hall measurements have revealed that electron scattering is dominated by unavoidable phonon and ionized impurity scattering from singly charged H-donors. Extrinsic defect scattering related to material quality such as grain boundary and neutral impurity scattering was found to be negligible in crystallized films indicating that the carrier mobility is maximized. Furthermore, by comparison of the absolute H-concentration and the carrier density in crystallized films, it is deduced that <4% of the incorporated H is an active dopant in crystallized films. Therefore, it can be concluded that inactive H atoms do not (significantly) contribute to defect scattering, which potentially explains why In2O3:H films are capable of achieving a much higher carrier mobility than conventional In2O3:Sn (ITO).

Effects of Density and Impurity on Edge Localized Modes in Tokamaks

NASA Astrophysics Data System (ADS)

Zhu, Ping

2017-10-01

Plasma density and impurity concentration are believed to be two of the key elements governing the edge tokamak plasma conditions. Optimal levels of plasma density and impurity concentration in the edge region have been searched for in order to achieve the desired fusion gain and divertor heat/particle load mitigation. However, how plasma density or impurity would affect the edge pedestal stability may have not been well known. Our recent MHD theory modeling and simulations using the NIMROD code have found novel effects of density and impurity on the dynamics of edge-localized modes (ELMs) in tokamaks. First, previous MHD analyses often predict merely a weak stabilizing effect of toroidal flow on ELMs in experimentally relevant regimes. We find that the stabilizing effects on the high- n ELMs from toroidal flow can be significantly enhanced with the increased edge plasma density. Here n denotes the toroidal mode number. Second, the stabilizing effects of the enhanced edge resistivity due to lithium-conditioning on the low- n ELMs in the high confinement (H-mode) discharges in NSTX have been identified. Linear stability analysis of the experimentally constrained equilibrium suggests that the change in the equilibrium plasma density and pressure profiles alone due to lithium-conditioning may not be sufficient for a complete suppression of the low- n ELMs. The enhanced resistivity due to the increased effective electric charge number Zeff after lithium-conditioning provides additional stabilization of the low- n ELMs. These new effects revealed in our theory analyses may help further understand recent ELM experiments and suggest new control schemes for ELM suppression and mitigation in future experiments. They may also pose additional constraints on the optimal levels of plasma density and impurity concentration in the edge region for H-mode tokamak operation. Supported by National Magnetic Confinement Fusion Science Program of China Grants 2014GB124002 and 2015GB101004, the 100 Talent Program of the Chinese Academy of Sciences, and U.S. Department of Energy Grants DE-FG02-86ER53218 and DE-FC02-08ER54975.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ganguly, Jayanta; Ghosh, Manas, E-mail: pcmg77@rediffmail.com

We investigate the profiles of diagonal components of frequency-dependent first nonlinear (β{sub xxx} and β{sub yyy}) optical response of repulsive impurity doped quantum dots. We have assumed a Gaussian function to represent the dopant impurity potential. This study primarily addresses the role of noise on the polarizability components. We have invoked Gaussian white noise consisting of additive and multiplicative characteristics (in Stratonovich sense). The doped system has been subjected to an oscillating electric field of given intensity, and the frequency-dependent first nonlinear polarizabilities are computed. The noise characteristics are manifested in an interesting way in the nonlinear polarizability components. Inmore » case of additive noise, the noise strength remains practically ineffective in influencing the optical responses. The situation completely changes with the replacement of additive noise by its multiplicative analog. The replacement enhances the nonlinear optical response dramatically and also causes their maximization at some typical value of noise strength that depends on oscillation frequency.« less

Spatial Distortion of Vibration Modes via Magnetic Correlation of Impurities

NASA Astrophysics Data System (ADS)

Krasniqi, F. S.; Zhong, Y.; Epp, S. W.; Foucar, L.; Trigo, M.; Chen, J.; Reis, D. A.; Wang, H. L.; Zhao, J. H.; Lemke, H. T.; Zhu, D.; Chollet, M.; Fritz, D. M.; Hartmann, R.; Englert, L.; Strüder, L.; Schlichting, I.; Ullrich, J.

2018-03-01

Long wavelength vibrational modes in the ferromagnetic semiconductor Ga0.91 Mn0.09 As are investigated using time resolved x-ray diffraction. At room temperature, we measure oscillations in the x-ray diffraction intensity corresponding to coherent vibrational modes with well-defined wavelengths. When the correlation of magnetic impurities sets in, we observe the transition of the lattice into a disordered state that does not support coherent modes at large wavelengths. Our measurements point toward a magnetically induced broadening of long wavelength vibrational modes in momentum space and their quasilocalization in the real space. More specifically, long wavelength vibrational modes cannot be assigned to a single wavelength but rather should be represented as a superposition of plane waves with different wavelengths. Our findings have strong implications for the phonon-related processes, especially carrier-phonon and phonon-phonon scattering, which govern the electrical conductivity and thermal management of semiconductor-based devices.

Features of changes in electrophysical properties of silicon under the influence of thermal treatment

NASA Astrophysics Data System (ADS)

Gaidar, G. P.; Baranskii, P. I.

2018-06-01

The influence of the annealing temperatures and cooling rates of n-silicon crystals, grown by the Czochralski method and doped with phosphorus impurity, on their electric and thermoelectric properties was studied. In the region of predominantly impurity scattering a more essential dependence of the charge carrier mobility on the cooling conditions of crystals was established in comparison with the dependence on the annealing temperature. The analysis of the measurement results of tensoresistance and tenso-thermo-emf was carried out, on the basis of which the dependence of the anisotropy parameter of drag thermo-emf on the cooling rate was obtained. The feature of the anisotropy parameter of thermo-emf M in the form of its maximal deviation from the linear dependence M = M(lg(υcl)) was revealed in the region of cooling rates from 8 to 15 K/min.

Time-implicit fluid/particle hybrid simulations of the anode plasma dynamics in ion diodes

NASA Astrophysics Data System (ADS)

Pointon, T. D.; Boine-Frankenheim, O.; Mehlhorn, T. A.

1997-04-01

Applied-B ion diode experiments with Li+1 ion sources on the PBFA II and SABRE ion accelerators show that early in the pulse the beam is essentially pure Li+1, but is rapidly overwhelmed by impurity ions, called the `parasitic load'. Furthermore, the increasing parasitic current rapidly drops the diode voltage, limiting the accelerator power that can be coupled into the beam. This `impedance collapse' is believed to arise from the desorption of impurity neutrals from the anode surface. These neutrals charge-exchange with the ions, rapidly expanding into the anode-cathode gap where they are ionized by beam ions or secondary electrons. In order to model these processes we are developing a 1 1/2 D electrostatic multifluid/PIC (hybrid) code, designed to self-consistently simulate collisional plasma/neutral systems with an arbitrary number of interacting species, over greatly varying density regimes and together with applied electric and magnetic fields.

A study of beryllium and beryllium-lithium complexes in single crystal silicon

NASA Technical Reports Server (NTRS)

Crouch, R. K.; Robertson, J. B.; Gilmer, T. E., Jr.

1972-01-01

When beryllium is thermally diffused into silicon, it gives rise to acceptor levels 191 MeV and 145 meV above the valence band. Quenching and annealing studies indicate that the 145-MeV level is due to a more complex beryllium configuration than the 191-MeV level. When lithium is thermally diffused into a beryllium-doped silicon sample, it produces two acceptor levels at 106 MeV and 81 MeV. Quenching and annealing studies indicate that these levels are due to lithium forming a complex with the defects responsible for the 191-MeV and 145-MeV beryllium levels, respectively. Electrical measurements imply that the lithium impurity ions are physically close to the beryllium impurity atoms. The ground state of the 106-MeV beryllium level is split into two levels, presumably by internal strains. Tentative models are proposed.

Two-color Fermi-liquid theory for transport through a multilevel Kondo impurity

NASA Astrophysics Data System (ADS)

Karki, D. B.; Mora, Christophe; von Delft, Jan; Kiselev, Mikhail N.

2018-05-01

We consider a quantum dot with K ≥2 orbital levels occupied by two electrons connected to two electric terminals. The generic model is given by a multilevel Anderson Hamiltonian. The weak-coupling theory at the particle-hole symmetric point is governed by a two-channel S =1 Kondo model characterized by intrinsic channels asymmetry. Based on a conformal field theory approach we derived an effective Hamiltonian at a strong-coupling fixed point. The Hamiltonian capturing the low-energy physics of a two-stage Kondo screening represents the quantum impurity by a two-color local Fermi liquid. Using nonequilibrium (Keldysh) perturbation theory around the strong-coupling fixed point we analyze the transport properties of the model at finite temperature, Zeeman magnetic field, and source-drain voltage applied across the quantum dot. We compute the Fermi-liquid transport constants and discuss different universality classes associated with emergent symmetries.

Influence of damping on the frequency-dependent polarizabilities of doped quantum dot

NASA Astrophysics Data System (ADS)

Pal, Suvajit; Ghosh, Manas

2014-09-01

We investigate the profiles of diagonal components of frequency-dependent linear (αxx and αyy), and first nonlinear (βxxx and βyyy) optical response of repulsive impurity doped quantum dots. The dopant impurity potential chosen assumes Gaussian form. The study principally focuses on investigating the role of damping on the polarizability components. In view of this the dopant is considered to be propagating under damped condition which is otherwise linear inherently. The frequency-dependent polarizabilities are then analyzed by placing the doped dot to a periodically oscillating external electric field of given intensity. The damping strength, in conjunction with external oscillation frequency and confinement potentials, fabricate the polarizability components in a fascinating manner which is adorned with emergence of maximization, minimization, and saturation. The discrimination in the values of the polarizability components in x and y-directions has also been addressed in the present context.

Tomonaga-Luttinger physics in electronic quantum circuits.

PubMed

Jezouin, S; Albert, M; Parmentier, F D; Anthore, A; Gennser, U; Cavanna, A; Safi, I; Pierre, F

2013-01-01

In one-dimensional conductors, interactions result in correlated electronic systems. At low energy, a hallmark signature of the so-called Tomonaga-Luttinger liquids is the universal conductance curve predicted in presence of an impurity. A seemingly different topic is the quantum laws of electricity, when distinct quantum conductors are assembled in a circuit. In particular, the conductances are suppressed at low energy, a phenomenon called dynamical Coulomb blockade. Here we investigate the conductance of mesoscopic circuits constituted by a short single-channel quantum conductor in series with a resistance, and demonstrate a proposed link to Tomonaga-Luttinger physics. We reformulate and establish experimentally a recently derived phenomenological expression for the conductance using a wide range of circuits, including carbon nanotube data obtained elsewhere. By confronting both conductance data and phenomenological expression with the universal Tomonaga-Luttinger conductance curve, we demonstrate experimentally the predicted mapping between dynamical Coulomb blockade and the transport across a Tomonaga-Luttinger liquid with an impurity.

Carrier Injection and Scattering in Atomically Thin Chalcogenides

NASA Astrophysics Data System (ADS)

Li, Song-Lin; Tsukagoshi, Kazuhito

2015-12-01

Atomically thin two-dimensional chalcogenides such as MoS2 monolayers are structurally ideal channel materials for the ultimate atomic electronics. However, a heavy thickness dependence of electrical performance is shown in these ultrathin materials, and the device performance normally degrades while exhibiting a low carrier mobility as compared with corresponding bulks, constituting a main hurdle for application in electronics. In this brief review, we summarize our recent work on electrode/channel contacts and carrier scattering mechanisms to address the origins of this adverse thickness dependence. Extrinsically, the Schottky barrier height increases at the electrode/channel contact area in thin channels owing to bandgap expansion caused by quantum confinement, which hinders carrier injection and degrades device performance. Intrinsically, thin channels tend to suffer from intensified Coulomb impurity scattering, resulting from the reduced interaction distance between interfacial impurities and channel carriers. Both factors are responsible for the adverse dependence of carrier mobility on channel thickness in two-dimensional semiconductors.

A survey of acceptor dopants for β-Ga2O3

NASA Astrophysics Data System (ADS)

Lyons, John L.

2018-05-01

With a wide band gap, high critical breakdown voltage and commercially available substrates, Ga2O3 is a promising material for next-generation power electronics. Like most wide-band-gap semiconductors, obtaining better control over its electrical conductivity is critically important, but has proven difficult to achieve. Although efficient p-type doping in Ga2O3 is not expected, since theory and experiment indicate the self-trapping of holes, the full development of this material will require a better understanding of acceptor dopants. Here the properties of group 2, group 5 and group 12 acceptor impurities in β-Ga2O3 are explored using hybrid density functional calculations. All impurities are found to exhibit acceptor transition levels above 1.3 eV. After examining formation energies as a function of chemical potential, Mg (followed closely by Be) is determined to be the most stable acceptor species.

Luminescence characteristics of impurities-activated ZnS nanocrystals prepared in microemulsion with hydrothermal treatment

NASA Astrophysics Data System (ADS)

Xu, S. J.; Chua, S. J.; Liu, B.; Gan, L. M.; Chew, C. H.; Xu, G. Q.

1998-07-01

Cu-, Eu-, or Mn-doped ZnS nanocrystalline phosphors were prepared at room temperature using a chemical synthesis method. Transmission electron microscopy observation shows that the size of the ZnS clusters is in the 3-18 nm range. New luminescence characteristics such as strong and stable visible-light emissions with different colors were observed from the doped ZnS nanocrystals at room temperature. These results strongly suggest that impurities, especially transition metals and rare-earth metals-activated ZnS nanoclusters form a new class of luminescent materials.

Destruction of humic substances by pulsed electrical discharge

NASA Astrophysics Data System (ADS)

Lobanova, G. L.; Yurmazova, T. A.; Shiyan, L. N.; Machekhina, K. I.; Davidenko, M. A.

2017-01-01

Currently, the water recourses in the territory of Tomsk region are groundwater which is limited to the high concentration of iron and manganese ions and organic substances. These impurities present in water in different forms such as soluble salts ant the colloid forms. Therefore, the present work is a part of a continuations researcher of the processes in natural waters containing humic substances at the influence of pulsed electrical discharges in a layer of iron pellets. It is shown that the main stage of water purification process of humic substances during treatment by pulsed electric discharge in the layer of iron granules is a difficult process including several stages such as formation of iron oxyhydroxide colloid particles, sorption and coagulation with humic macromolecules substances, growth of particle dispersed phase and precipitation. The reason for the formation and coagulation of the dispersed phase is a different state of charge of the colloid particles (zeta potentials of (Fe (OH)3) is +8 mV, zeta potentials of (Humic substances) is -70 mV. The most intense permanganate oxidation reduction to the maximum permissible concentration occurs at the processing time equal to 10 seconds. The contact time of active erosion products with sodium humate is established and it equals to 1 hour. The value of permanganate oxidation achieves maximum permissible concentration during this time and iron concentration in solution achieves maximum permissible concentration after filtration.

Novel Application of Carbonate Fuel Cell for Capturing Carbon Dioxide from Flue Gas Streams

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jolly, Stephen; Ghezel-Ayagh, Hossein; Willman, Carl

To address concerns about climate change resulting from emission of CO2 by coal-fueled power plants, FuelCell Energy, Inc. has developed the Combined Electric Power and Carbon-dioxide Separation (CEPACS) system concept. The CEPACS system utilizes Electrochemical Membrane (ECM) technology derived from the Company’s Direct FuelCell® products. The system separates the CO2 from the flue gas of other plants and produces electric power using a supplementary fuel. FCE is currently evaluating the use of ECM to cost effectively separate CO2 from the flue gas of Pulverized Coal (PC) power plants under a U.S. Department of Energy contract. The overarching objective of themore » project is to verify that the ECM can achieve at least 90% CO2 capture from the flue gas with no more than 35% increase in the cost of electricity. The project activities include: 1) laboratory scale operational and performance tests of a membrane assembly, 2) performance tests of the membrane to evaluate the effects of impurities present in the coal plant flue gas, in collaboration with Pacific Northwest National Laboratory, 3) techno-economic analysis for an ECM-based CO2 capture system applied to a 550 MW existing PC plant, in partnership with URS Corporation, and 4) bench scale (11.7 m2 area) testing of an ECM-based CO2 separation and purification system.« less

Excimer laser annealing for low-voltage power MOSFET

NASA Astrophysics Data System (ADS)

Chen, Yi; Okada, Tatsuya; Noguchi, Takashi; Mazzamuto, Fulvio; Huet, Karim

2016-08-01

Excimer laser annealing of lumped beam was performed to form the P-base junction for high-performance low-voltage-power MOSFET. An equivalent shallow-junction structure for the P-base junction with a uniform impurity distribution is realized by adopting excimer laser annealing (ELA). The impurity distribution in the P-base junction can be controlled precisely by the irradiated pulse energy density and the number of shots of excimer laser. High impurity activation for the shallow junction has been confirmed in the melted phase. The application of the laser annealing technology in the fabrication process of a practical low-voltage trench gate MOSFET was also examined.

Development of a sensitive and rapid method for rifampicin impurity analysis using supercritical fluid chromatography.

PubMed

Li, Wei; Wang, Jun; Yan, Zheng-Yu

2015-10-10

A novel simple, fast and efficient supercritical fluid chromatography (SFC) method was developed and compared with RPLC method for the separation and determination of impurities in rifampicin. The separation was performed using a packed diol column and a mobile phase B (modifier) consisting of methanol with 0.1% ammonium formate (w/v) and 2% water (v/v). Overall satisfactory resolutions and peak shapes for rifampicin quinone (RQ), rifampicin (RF), rifamycin SV (RSV), rifampicin N-oxide (RNO) and 3-formylrifamycinSV (3-FR) were obtained by optimization of the chromatography system. With gradient elution of mobile phase, all of the impurities and the active were separated within 4 min. Taking full advantage of features of SFC (such as particular selectivity, non-sloping baseline in gradient elution, and without injection solvent effects), the method was successfully used for determination of impurities in rifampicin, with more impurity peaks detected, better resolution achieved and much less analysis time needed compared with conventional reversed-phase liquid chromatography (RPLC) methods. Copyright © 2015 Elsevier B.V. All rights reserved.

Empirical correlations between the arrhenius' parameters of impurities' diffusion coefficients in CdTe crystals

DOE PAGES

Shcherbak, L.; Kopach, O.; Fochuk, P.; ...

2015-01-21

Understanding of self- and dopant-diffusion in semiconductor devices is essential to our being able to assure the formation of well-defined doped regions. In this paper, we compare obtained in the literature up to date the Arrhenius’ parameters (D=D 0exp(–ΔE a/kT)) of point-defect diffusion coefficients and the I-VII groups impurities in CdTe crystals and films. We found that in the diffusion process there was a linear dependence between the pre-exponential factor, D 0, and the activation energy, ΔE a, of different species: This was evident in the self-diffusivity and isovalent impurity Hg diffusivity as well as for the dominant IIIA andmore » IVA groups impurities and Chlorine, except for the fast diffusing elements (e.g., Cu and Ag), chalcogens O, S, and Se, halogens I and Br as well as the transit impurities Mn, Co, Fe. As a result, reasons of the lack of correspondence of the data to compensative dependence are discussed.« less

Application of HPLC with ELSD Detection for the Assessment of Azelaic Acid Impurities in Liposomal Formulation

PubMed Central

Han, Stanislaw; Karlowicz-Bodalska, Katarzyna; Ozimek, Lukasz

2013-01-01

In the course of research and development of a new pharmaceutical formulation of azelaic acid in the liposomal form, we developed a rapid and accurate method for the detection of impurities using high-performance liquid chromatography. A chromatographic column from Merck (Purospher Star RP C18, 250–4 mm (5 μm) was used in the assay, and the mobile phase gradient consisted of three phases: A—methanol : water (5 : 95) + 1.5% (v/v) acetic acid; B—water : methanol (5 : 95) + 1.5% (v/v) acetic acid; and C—chloroform. Detection of the impurities and the active substance was performed by an evaporative light-scattering detector. The method was validated for selectivity, system precision, method precision, limit of detection, and response rates. The proposed method can be used to detect impurities in the liposomal formulation of azelaic acid. The method enables separation of azelaic acid from the identified and unidentified impurities and from the excipients used in the drug form. PMID:24228008

Application of HPLC with ELSD detection for the assessment of azelaic acid impurities in liposomal formulation.

PubMed

Han, Stanislaw; Karlowicz-Bodalska, Katarzyna; Szura, Dorota; Ozimek, Lukasz; Musial, Witold

2013-01-01

In the course of research and development of a new pharmaceutical formulation of azelaic acid in the liposomal form, we developed a rapid and accurate method for the detection of impurities using high-performance liquid chromatography. A chromatographic column from Merck (Purospher Star RP C18, 250-4 mm (5 μm) was used in the assay, and the mobile phase gradient consisted of three phases: A--methanol : water (5 : 95) + 1.5% (v/v) acetic acid; B--water : methanol (5 : 95) + 1.5% (v/v) acetic acid; and C--chloroform. Detection of the impurities and the active substance was performed by an evaporative light-scattering detector. The method was validated for selectivity, system precision, method precision, limit of detection, and response rates. The proposed method can be used to detect impurities in the liposomal formulation of azelaic acid. The method enables separation of azelaic acid from the identified and unidentified impurities and from the excipients used in the drug form.

Unsteady-state transfer of impurities during crystal growth of sucrose in sugarcane solutions

NASA Astrophysics Data System (ADS)

Martins, P. M.; Ferreira, A.; Polanco, S.; Rocha, F.; Damas, A. M.; Rein, P.

2009-07-01

In this work, we present growth rate data of sucrose crystals in the presence of impurities that can be used by both sugar technologists and crystal growth scientists. Growth rate curves measured in a pilot-scale evaporative crystallizer suggest a period of slow growth that follows the seeding of crystals into supersaturated technical solutions. The observed trend was enhanced by adding typical sugarcane impurities such as starch, fructose or dextran to the industrial syrups. Maximum growth rates of sucrose resulted at intermediate rather than high supersaturation levels in the presence of the additives. The effects of the additives on the sucrose solubility and sucrose mass transfer in solution were taken into account to explain the observed crystal growth kinetics. A novel mechanism was identified of unsteady-state adsorption of impurities at the crystal surface and their gradual replacement by the crystallizing solute towards the equilibrium occupation of the active sites for growth. Specifically designed crystallization experiments at controlled supersaturation confirmed this mechanism by showing increasing crystal growth rates with time until reaching a steady-state value for a given supersaturation level and impurity content.

Effect of ferromagnetic exchange field on band gap and spin polarisation of graphene on a TMD substrate

NASA Astrophysics Data System (ADS)

Goswami, Partha

2018-03-01

We calculate the electronic band dispersion of graphene monolayer on a two-dimensional transition metal dichalcogenide substrate (GrTMD) around K and K^' } points by taking into account the interplay of the ferromagnetic impurities and the substrate-induced interactions. The latter are (strongly enhanced) intrinsic spin-orbit interaction (SOI), the extrinsic Rashba spin-orbit interaction (RSOI) and the one related to the transfer of the electronic charge from graphene to substrate. We introduce exchange field ( M) in the Hamiltonian to take into account the deposition of magnetic impurities on the graphene surface. The cavalcade of the perturbations yield particle-hole symmetric band dispersion with an effective Zeeman field due to the interplay of the substrate-induced interactions with RSOI as the prime player. Our graphical analysis with extremely low-lying states strongly suggests the following: The GrTMDs, such as graphene on WY2, exhibit (direct) band-gap narrowing / widening (Moss-Burstein (MB) gap shift) including the increase in spin polarisation ( P) at low temperature due to the increase in the exchange field ( M) at the Dirac points. The polarisation is found to be electric field tunable as well. Finally, there is anticrossing of non-parabolic bands with opposite spins, the gap closing with same spins, etc. around the Dirac points. A direct electric field control of magnetism at the nanoscale is needed here. The magnetic multiferroics, like BiFeO3 (BFO), are useful for this purpose due to the coupling between the magnetic and electric order parameters.

Tentative anatomy of ZnS-type electroluminescence

NASA Astrophysics Data System (ADS)

Bringuier, E.

1994-05-01

The paper reviews the electrical and optical mechanisms at work in sulfide-based thin-film electroluminescence display devices within the framework of general semiconductor physics. The electrical problem is twofold: (i) charge carriers are sourced at high electric field in a nominally insulating material, the carrier density increasing by almost eight orders of magnitude; (ii) the carriers are transported at high field, with an average energy largely exceeding the thermal one. (i) Carrier sourcing is best understood from direct-current-driven ZnS films, and is ascribed to partly filled deep donors transferring electrons to the conduction band by Fowler-Nordheim tunneling. The deep donors also act as carrier sinkers, and evidence for space charge is afforded by small-signal impedance analysis disclosing a markedly inductive behavior. The conduction picture obtained from dc-driven films is then used to clarify the operation of alternating-current electroluminescence structures where the sulfide is sandwiched between two blocking oxide layers. The electrostatics of the ac structure is investigated in detail including space charge and field nonuniformity, and external observables are related to internal quantities. The simple model of interfacial carrier sourcing and sinking is examined. (ii) High-field electronic transport is controlled by the electron-phonon interaction, and the modeling resorts to numerical simulations or the lucky-drift concept. At low electron energies the interaction with phonons is predominantly polar, while at optical energies it proceeds via deformation potential scattering. In spite of the uncertainties in transport models in that range, it is likely that ˜50% of the electrons overtake 2 eV at the usual operating fields in ZnS. Light emission is associated with impurity luminescence centers embedded in the sulfide host. They are excited while current is flowing, and the ensuing relaxation is partly radiative. We describe the two ways in which an impurity may be excited electrically, namely, impact excitation (internal promotion of the center to a state of higher energy) or impact ionization (with an electron released to the host conduction band). The actual excitation mechanism depends on the position of the impurity excited level relative to the host energy bands. A calculation of the excitation yield (number of excited centers per transferred electron) is detailed in the case of impact excitation. Lastly, a phenomenological description of the various relaxation channels is given in terms of formal kinetics, and the relative importance of radiative relaxation is assessed by means of the deexcitation yield (fraction of centers decaying radiatively), which is defined in the case of the impulse response.

Effect of gamma ray and high-energy oxygen ion radiation on electrical and optical properties of MCT epitaxial layers

NASA Astrophysics Data System (ADS)

Sitharaman, S.; Kanjilal, D.; Arora, S. K.; Ganguly, S. K.; Nagpal, Anjana; Gautam, Madhukar; Raman, R.; Kumar, Shiv; Prakash, V. R.; Gupta, S. C.

1999-11-01

Hg1-xCdxTe epitaxial layers grown from Te-rich solution have been exposed to Gamma ray radiation up to 650 Grey using Co60 and high energy oxygen radiation at 100Mev. The electrical resistivity, carrier density and Hall mobility values at 77K and IR transmission at 300K have been measured in n,p and compensated epilayers both before and after irradiation. These properties are very much affected by these radiations. In the uncompensated p-type epitaxial layers both types of radiation produced an increase in extrinsic carrier density and a corresponding decrease in Hall mobility. It is observed that both types of radiation have significant effect on the compensated layers and the degree of compensation is greatly reduced by the oxygen irradiation. The 100 Mev oxygen irradiation produced an apparent shift in the bandgap towards shorter wavelength and the absorption below the energy gap is reduced as shown by FTIR measurements, whereas Gamma ray radiation up to the dose 650 Grey did not have any effect on optical properties. These results show the ability of oxygen radiation to passivate the activity of residual impurities or defects.

Anomalous Hall effect in semiconductor quantum wells in proximity to chiral p -wave superconductors

NASA Astrophysics Data System (ADS)

Yang, F.; Yu, T.; Wu, M. W.

2018-05-01

By using the gauge-invariant optical Bloch equation, we perform a microscopic kinetic investigation on the anomalous Hall effect in chiral p -wave superconducting states. Specifically, the intrinsic anomalous Hall conductivity in the absence of the magnetic field is zero as a consequence of Galilean invariance in our description. As for the extrinsic channel, a finite anomalous Hall current is obtained from the impurity scattering with the optically excited normal quasiparticle current even at zero temperature. From our kinetic description, it can be clearly seen that the excited normal quasiparticle current is due to an induced center-of-mass momentum of Cooper pairs through the acceleration driven by ac electric field. For the induced anomalous Hall current, we show that the conventional skew-scattering channel in the linear response makes the dominant contribution in the strong impurity interaction. In this case, our kinetic description as a supplementary viewpoint mostly confirms the results of Kubo formalism in the literature. Nevertheless, in the weak impurity interaction, this skew-scattering channel becomes marginal and we reveal that an induction channel from the Born contribution dominates the anomalous Hall current. This channel, which has long been overlooked in the literature, is due to the particle-hole asymmetry by nonlinear optical excitation. Finally, we study the case in the chiral p -wave superconducting state with a transverse conical magnetization, which breaks the Galilean invariance. In this situation, the intrinsic anomalous Hall conductivity is no longer zero. Comparison of this intrinsic channel with the extrinsic one from impurity scattering is addressed.

Removal of fluoride impurities from UF/sub 6/ gas

DOEpatents

Beitz, J.V.

1984-01-06

A method of purifying a UF/sub 6/ gas stream containing one or more metal fluoride impurities composed of a transuranic metal, transition metal or mixtures thereof, is carried out by contacting the gas stream with a bed of UF/sub 5/ in a reaction vessel under conditions where at least one impurity reacts with the UF/sub 5/ to form a nongaseous product and a treated gas stream, and removing the treated gas stream from contact with the bed. The nongaseous products are subsequently removed in a reaction with an active fluorine affording agent to form a gaseous impurity which is removed from the reaction vessel. The bed of UF/sub 5/ is formed by the reduction of UF/sub 6/ in the presence of uv light. One embodiment of the reaction vessel includes a plurality of uv light sources as tubes on which UF/sub 5/ is formed. 2 figures.

Removal of fluoride impurities from UF.sub.6 gas

DOEpatents

Beitz, James V.

1985-01-01

A method of purifying a UF.sub.6 gas stream containing one or more metal fluoride impurities composed of a transuranic metal, transition metal or mixtures thereof, is carried out by contacting the gas stream with a bed of UF.sub.5 in a reaction vessel under conditions where at least one impurity reacts with the UF.sub.5 to form a nongaseous product and a treated gas stream, and removing the treated gas stream from contact with the bed. The nongaseous products are subsequently removed in a reaction with an active fluorine affording agent to form a gaseous impurity which is removed from the reaction vessel. The bed of UF.sub.5 is formed by the reduction of UF.sub.6 in the presence of UV light. One embodiment of the reaction vessel includes a plurality of UV light sources as tubes on which UF.sub.5 is formed.

Structural Characterization of AgGaS2-type Photocatalysts for Hydrogen Production from Water Under Visible Light

DOE Office of Scientific and Technical Information (OSTI.GOV)

Choi, Sun Hee; Shin, Namsoo; Jang, Jum Suk

Bulky AgGaS2 was synthesized as a p-type semiconductor photocatalyst by a conventional solid state reaction under N2 flow for hydrogen production under visible light. To remove the impurity phase involved in the synthesized material and improve its crystallinity, the material was treated at various temperatures of 873-1123 K under H2S flow. Impurity phases were identified as {beta}-Ga2O3 and Ag9GaS6 with Rietveld analysis of XRD, and the local coordination structure around gallium atom in AgGaS2 was investigated by EXAFS. As the H2S-treatment temperature increased, the contribution from impurity phase was diminished. When the temperature reached 1123 K, the impurity phases weremore » completely removed and the material showed the highest photocatalytic activity.« less

Effect of polymer residues on the electrical properties of large-area graphene–hexagonal boron nitride planar heterostructures

DOE PAGES

Voyloy, Dimitry; Lassiter, Matthew G.; Sokolov, Alexei P.; ...

2017-06-19

Polymer residue plays an important role in the performance of 2D heterostructured materials. Herein, we study the effect of polymer residual impurities on the electrical properties of graphene–boron nitride planar heterostructures. Large-area graphene (Gr) and hexagonal boron nitride (h-BN) monolayers were synthesized using chemical vapor deposition techniques. Atomic van-der-Waals heterostructure layers based on varied configurations of Gr and h-BN layers were assembled. The average interlayer resistance of the heterojunctions over a 1 cm 2 area for several planar heterostructure configurations was assessed by impedance spectroscopy and modeled by equivalent electrical circuits. As a result, conductive AFM measurements showed that themore » presence of polymer residues on the surface of the Gr and h-BN monolayers resulted in significant resistance deviations over nanoscale regions.« less

All-electrical production of spin-polarized currents in carbon nanotubes: Rashba spin-orbit interaction

NASA Astrophysics Data System (ADS)

Santos, Hernán; Latgé, A.; Alvarellos, J. E.; Chico, Leonor

2016-04-01

We study the effect of the Rashba spin-orbit interaction in the quantum transport of carbon nanotubes with arbitrary chiralities. For certain spin directions, we find a strong spin-polarized electrical current that depends on the diameter of the tube, the length of the Rashba region, and on the tube chirality. Predictions for the spin-dependent conductances are presented for different families of achiral and chiral tubes. We have found that different symmetries acting on spatial and spin variables have to be considered in order to explain the relations between spin-resolved conductances in carbon nanotubes. These symmetries are more general than those employed in planar graphene systems. Our results indicate the possibility of having stable spin-polarized electrical currents in absence of external magnetic fields or magnetic impurities in carbon nanotubes.

Effect of polymer residues on the electrical properties of large-area graphene–hexagonal boron nitride planar heterostructures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Voyloy, Dimitry; Lassiter, Matthew G.; Sokolov, Alexei P.

Polymer residue plays an important role in the performance of 2D heterostructured materials. Herein, we study the effect of polymer residual impurities on the electrical properties of graphene–boron nitride planar heterostructures. Large-area graphene (Gr) and hexagonal boron nitride (h-BN) monolayers were synthesized using chemical vapor deposition techniques. Atomic van-der-Waals heterostructure layers based on varied configurations of Gr and h-BN layers were assembled. The average interlayer resistance of the heterojunctions over a 1 cm 2 area for several planar heterostructure configurations was assessed by impedance spectroscopy and modeled by equivalent electrical circuits. As a result, conductive AFM measurements showed that themore » presence of polymer residues on the surface of the Gr and h-BN monolayers resulted in significant resistance deviations over nanoscale regions.« less

Hyperspectral, photogrammetric and morphological characterization of surface impurities over the Greenland ice sheet from remote sensing observations

NASA Astrophysics Data System (ADS)

Tedesco, M.; Alexander, P. M.; Briggs, K.; Linares, M.; Mote, T. L.

2016-12-01

The spatial and temporal evolution of surface impurities over the Greenland ice sheet plays a crucial role in modulating the meltwater production in view of the associated feedback on albedo. Recent studies have pointed to a `darkening' of the west portion of the ice sheet with this reduction in albedo likely associated with the increasing presence of surface impurities (e.g., soot, dust) and biological activity (e.g., cryoconite holes, algae, bacteria). Regional climate models currently do not account for the presence, evolution and impact on albedo of such impurities, mostly because the underlying processes driving the spectral and morphological evolution of impurities are poorly known. One for the reasons for this is the lack of hyperspectral and high-spatial resolution data over specific regions of the Greenland ice sheet. To put things in perspective: there is more hyperspectral data at high spatial resolution for the planet Mars than for the Greenland ice sheet. In this presentation, we report the results of an analysis using the few available hyperspectral data collected over Greenland by the HYPERION and AVIRIS sensors, in conjunction with visible (RGB) helicopter-based high resolution images and LANDSAT/WorldView data for characterizing the spectral and morphological evolution of surface impurities and cryoconite holes over western Greenland. The hyperspectral data is used to characterize the abundance of different `endmembers' and the temporal evolution (inter-seasonal and intra-seasonal) of surface impurities composition and concentration. Digital photographs from helicopter are used to characterize the size and distribution of cryoconite holes as a function of elevation and, lastly, LANDSAT/WV images are used to study the evolution of `mysterious' shapes that form as a consequence of the accumulation of impurities and the ice flow.

Characterization of low-abundance species in the active pharmaceutical ingredient of CIGB-300: A clinical-grade anticancer synthetic peptide.

PubMed

Garay, Hilda; Espinosa, Luis Ariel; Perera, Yasser; Sánchez, Aniel; Diago, David; Perea, Silvio E; Besada, Vladimir; Reyes, Osvaldo; González, Luis Javier

2018-04-20

CIGB-300 is a first-in-class synthetic peptide-based drug of 25 amino acids currently undergoing clinical trials in cancer patients. It contains an amidated disulfide cyclic undecapeptide fused to the TAT cell-penetrating peptide through a beta-alanine spacer. CIGB-300 inhibits the CK2-mediated phosphorylation leading to apoptosis of tumor cells in vitro, and in vivo in cancer patients. Despite the clinical development of CIGB-300, the characterization of peptide-related impurities present in the active pharmaceutical ingredient has not been reported earlier. In the decision tree of ICHQ3A(R2) guidelines, the daily doses intake, the abundance, and the identity of the peptide-related species are pivotal nodes that define actions to be taken (reporting, identification, and qualification). For this, purity was first assessed by reverse-phase chromatography (>97%) and low-abundance impurities (≤0.27%) were collected and identified by mass spectrometry. Most of the impurities were generated during peptide synthesis, the spontaneous air oxidation of the reduced peptide, and the lyophilization step. The most abundant impurity, with no biological activity, was the full-length peptide containing Met 17 transformed into a sulfoxide residue. Interestingly, parallel and antiparallel dimers of CIGB-300 linked by 2 intermolecular disulfide bonds exhibited a higher antiproliferative activity than the CIGB-300 monomer. Likewise, very low abundance trimers and tetramers of CIGB-300 linked by disulfide bonds (≤0.01%) were also detected. Here we describe for the first time the presence of active dimeric species whose feasibility as novel CIGB-300 derived entities merits further investigation. Copyright © 2018 European Peptide Society and John Wiley & Sons, Ltd.

Electronic, optical and photocatalytic behavior of Mn, N doped and co-doped TiO{sub 2}: Experiment and simulation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhao, Ya Fei; Li, Can, E-mail: canli1983@gmail.com; Lu, Song

2016-03-15

The crystal phase structure, surface morphology, chemical states and optical properties of Mn, N mono-doped and co-doped TiO{sub 2} nanoparticles were investigated by X-ray powder diffractometry, Raman spectra, scanning electron microscopy, X-ray photoelectron spectroscopy and UV–vis diffuse reflectance spectroscopy. Meanwhile, geometry structures, formation energies, electronic and optical properties of all systems have been also analyzed by density functional theory. The results showed that the band gap values and the carrier mobility in the valence band, conduction band and impurity levels have a synergetic influence on the visible-light absorption and photocatalytic activity of the doped TiO{sub 2}. The number and themore » carrier mobility of impurity level jointly influence the photocatalytic activity of catalyst under visible-light. Especially, the photocatalytic activity of Mn-2N co-doped TiO{sub 2} beyond three-fold than that of pure TiO{sub 2} under visible-light. - Graphical abstract: The ILs formed by N-2p orbital in N single doped specimen lie above the VB, while the ILs formed by Mn-3d orbital in Mn single doped specimen appear below the CB. However, a large amount of ILs formed by N-2p orbital and Mn-3d orbital in N and Mn codoped specimens. The band gap values and the carrier mobility in the valence band, conduction band and impurity levels have a synergetic influence on the visible-light absorption and photocatalytic activity of the doped TiO{sub 2}. The number and the carrier mobility of impurity level jointly influence the photocatalytic activity of catalyst under visible-light.« less

PROCESS FOR PURIFYING CRUDE PERFLUOROCARBONS

DOEpatents

Holeton, R.E.

1959-03-24

A method is described for refining organic perfluoro compounds. In the manufacture of perfluorinated compounds by the fluorination of hydrocarbons, the product frequently is contaminated ny incompletely fluorimated hydrogen containing impurities. These impurities can be removed by contacting the products in a fluid conditions with an active adsorbents such as silica gel or alumina gel. The patent claims are restricted to this refining of crude perfluorinated lubricating oil.

Development of a 1.5D plasma transport code for coupling to full orbit runaway electron simulations

NASA Astrophysics Data System (ADS)

Lore, J. D.; Del Castillo-Negrete, D.; Baylor, L.; Carbajal, L.

2017-10-01

A 1.5D (1D radial transport + 2D equilibrium geometry) plasma transport code is being developed to simulate runaway electron generation, mitigation, and avoidance by coupling to the full-orbit kinetic electron transport code KORC. The 1.5D code solves the time-dependent 1D flux surface averaged transport equations with sources for plasma density, pressure, and poloidal magnetic flux, along with the Grad-Shafranov equilibrium equation for the 2D flux surface geometry. Disruption mitigation is simulated by introducing an impurity neutral gas `pellet', with impurity densities and electron cooling calculated from ionization, recombination, and line emission rate coefficients. Rapid cooling of the electrons increases the resistivity, inducing an electric field which can be used as an input to KORC. The runaway electron current is then included in the parallel Ohm's law in the transport equations. The 1.5D solver will act as a driver for coupled simulations to model effects such as timescales for thermal quench, runaway electron generation, and pellet impurity mixtures for runaway avoidance. Current progress on the code and details of the numerical algorithms will be presented. Work supported by the US DOE under DE-AC05-00OR22725.

Helium defectoscopy of cerium gadolinium ceramics Ce0.8Gd0.2O1.9 with a submicrocrystalline structure in the impurity disorder region

NASA Astrophysics Data System (ADS)

Koromyslov, A. V.; Zhiganov, A. N.; Kovalenko, M. A.; Kupryazhkin, A. Ya.

2013-12-01

The concentration of impurity anion vacancies formed upon the dissociation of gadolinium-vacancy complexes has been determined using helium defectoscopy of the cerium gadolinium ceramics Ce0.8Gd0.2O1.9 with a submicrocrystalline structure in the temperature range T = 740-1123 K and at saturation pressures ranging from 0.05 to 15 MPa. It has been found that the energy of dissociation of gadoliniumvacancy complexes is E {eff/ D }= 0.26 ± 0.06 eV, and the energy of dissolution of helium in anion vacancies in the impurity disorder region is E P = -0.31 ± 0.09 eV. The proposed mechanism of dissolution has been confirmed by the investigation of the electrical conductivity of the cerium gadolinium ceramics, as well as by the high-speed molecular dynamics simulation of the dissociation of gadolinium-vacancy complexes. It has been assumed that a decrease in the effective dissolution energy in comparison with the results of the previously performed low-temperature investigations is caused by the mutual repulsion of vacancies formed upon the dissociation of gadolinium-vacancy complexes in highly concentrated solutions of gadolinium in CeO2 with increasing temperature.

Plasma Chemistry Processes in the Closed Cycle EDL.

DTIC Science & Technology

1979-07-01

chemistry. The present study is mainly concerned with plasma by-products and, to some degree, with initial impurities and their influence on laser...performance. The plasma chemistry important in the formation of these by-products has been studied in greatest detail for He/N 2 /C0 2 mixtures loaded by...cases for two closed cycle EDL devices currently under development. The study includes the effects on performance of variations in the electric field

Modeling, Simulation, and Analysis of Quantum Transport.

DTIC Science & Technology

1991-03-15

mode operation is important to prevent standby power dissipation in circuits. The relevant struc- ture consists of a quantum well one half of which...is intentionally doped while the other half is left undoped. In the absence of any external electric field, electrons mostly reside in the doped half ...electron wavefunction to the undoped half in which the mobility is much higher because of the absence of in-situ impurity scatterir". Consequently the

Surface property detection apparatus and method

DOEpatents

Martens, J.S.; Ginley, D.S.; Hietala, V.M.; Sorensen, N.R.

1995-08-08

Apparatus and method for detecting, determining, and imaging surface resistance corrosion, thin film growth, and oxide formation on the surface of conductors or other electrical surface modification. The invention comprises a modified confocal resonator structure with the sample remote from the radiating mirror. Surface resistance is determined by analyzing and imaging reflected microwaves; imaging reveals anomalies due to surface impurities, non-stoichiometry, and the like, in the surface of the superconductor, conductor, dielectric, or semiconductor. 4 figs.

A New Platform for Profiling Degradation-Related Impurities Via Exploiting the Opportunities Offered by Ion-Selective Electrodes: Determination of Both Diatrizoate Sodium and Its Cytotoxic Degradation Product.

PubMed

Riad, Safaa M; Abd El-Rahman, Mohamed K; Fawaz, Esraa M; Shehata, Mostafa A

2018-05-01

Although the ultimate goal of administering active pharmaceutical ingredients (APIs) is to save countless lives, the presence of impurities and/or degradation products in APIs or formulations may cause harmful physiological effects. Today, impurity profiling (i.e., the identity as well as the quantity of impurity in a pharmaceutical) is receiving critical attention from regulatory authorities. Despite the predominant use of spectroscopic and chromatographic methods over electrochemical methods for impurity profiling of APIs, this work investigates the opportunities offered by electroanalytical methods, particularly, ion-selective electrodes (ISEs), for profiling degradation-related impurities (DRIs) compared with conventional spectroscopic and chromatographic methods. For a meaningful comparison, diatrizoate sodium (DTA) was chosen as the anionic X-ray contrast agent based on its susceptibility to deacetylation into its cytotoxic and mutagenic degradation product, 3,5-diamino-2,4,6 triiodobenzoic acid (DTB). This cationic diamino compound can be also detected as an impurity in the final product because it is used as a synthetic precursor for the synthesis of DTA. In this study, four novel sensitive and selective sensors for the determination of both DTA and its cytotoxic degradation products are presented. Sensors I and II were developed for the determination of the anionic drug, DTA, and sensors III and IV were developed for the determination of the cationic cytotoxic impurity. The use of these novel sensors not only provides a stability-indicating method for the selective determination of DTA in the presence of its degradation product, but also permits DRI profiling. Moreover, a great advantage of these proposed ISE systems is their higher sensitivity for the quantification of DTB relative to other spectroscopic and chromatographic methods, so it can measure trace amounts of DTB impurities in DTA bulk powder and pharmaceutical formulation without a need for preliminary separation.

Oxygen in GaAs - Direct and indirect effects

NASA Technical Reports Server (NTRS)

Gatos, H. C.; Skowronski, M.; Pawlowicz, L.; Lagowski, J.

1984-01-01

Oxygen has profound effects on the key electronic properties and point defects of GaAs crystals. Thus, when added in the growth system, it decreases the free electron concentration and enhances the concentration of deep donors in the resulting crystals. Both of these effects are highly beneficial for achieving semi-insulating material and have been utilized for that purpose. They have been attributed to the tendency of oxygen to getter silicon impurities during crystal growth. Only recently, it has been found that oxygen in GaAs introduces also a midgap level, ELO, with essentially the same activation energy as EL2 but with four times greater electron capture cross section. The present report reassesses the electrical and optical properties of the midgap levels in GaAs crystals grown by the horizontal Bridgman (HB) and the Czochralski-LEC techniques. Emphasis is placed on the identification of the specific effects of ELO.

Implementation of a physically-based scheme representing light-absorbing impurities deposition, evolution and radiative impacts in the SURFEX/Crocus model

NASA Astrophysics Data System (ADS)

Tuzet, F.; Dumont, M.; Lafaysse, M.; Hagenmuller, P.; Arnaud, L.; Picard, G.; Morin, S.

2017-12-01

Light-absorbing impurities decrease snow albedo, increasing the amount of solar energy absorbed by the snowpack. Its most intuitive impact is to accelerate snow melt. However the presence of a layer highly concentrated in light-absorbing impurities in the snowpack also modify its temperature profile affecting snow metamorphism. New capabilities have been implemented in the detailed snowpack model SURFEX/ISBA-Crocus (referred to as Crocus) to account for impurities deposition and evolution within the snowpack (Tuzet et al., 2017, TCD). Once deposited, the model computes impurities mass evolution until snow melts out. Taking benefits of the recent inclusion of the spectral radiative transfer model TARTES in Crocus, the model explicitly represents the radiative impacts of light-absorbing impurities in snow. In the Pyrenees mountain range, strong sporadic Saharan dust deposition (referred to as dust outbreaks) can occur during the snow season leading some snow layers in the snowpack to contain high concentrations of mineral dust. One of the major events of the past years occurred on February 2014, affecting the whole southern Europe. During the weeks following this dust outbreak a strong avalanche activity was reported in the Aran valley (Pyrenees, Spain). For now, the link between the dust outbreak and the avalanche activity is not demonstrated.We investigate the impact of this dust outbreak on the snowpack stability in the Aran valley using the Crocus model, trying to determine whether the snowpack instability observed after the dust outbreak can be related to the presence of dust. SAFRAN-reanalysis meteorological data are used to drive the model on several altitudes, slopes and aspects. For each slope configuration two different simulations are run; one without dust and one simulating the dust outbreak of February 2014.The two corresponding simulations are then compared to assess the role of impurities on snow metamorphism and stability.On this example, we numerically prove that under specific meteorological conditions the presence of a dusty layer in the snowpack causes an enhanced temperature gradient at the interface, favoring the formation of faceted crystals.These preliminary results need to be evaluated against field measurements and with respect to uncertainties in Crocus model.

Final Technical Report: Effects of Impurities on Fuel Cell Performance and Durability

DOE Office of Scientific and Technical Information (OSTI.GOV)

James G. Goodwin, Jr.; Hector Colon-Mercado; Kitiya Hongsirikarn

2011-11-11

The main objectives of this project were to investigate the effect of a series of potential impurities on fuel cell operation and on the particular components of the fuel cell MEA, to propose (where possible) mechanism(s) by which these impurities affected fuel cell performance, and to suggest strategies for minimizing these impurity effects. The negative effect on Pt/C was to decrease hydrogen surface coverage and hydrogen activation at fuel cell conditions. The negative effect on Nafion components was to decrease proton conductivity, primarily by replacing/reacting with the protons on the Bronsted acid sites of the Nafion. Even though already wellmore » known as fuel cell poisons, the effects of CO and NH3 were studied in great detail early on in the project in order to develop methodology for evaluating poisoning effects in general, to help establish reproducibility of results among a number of laboratories in the U.S. investigating impurity effects, and to help establish lower limit standards for impurities during hydrogen production for fuel cell utilization. New methodologies developed included (1) a means to measure hydrogen surface concentration on the Pt catalyst (HDSAP) before and after exposure to impurities, (2) a way to predict conductivity of a Nafion membranes exposed to impurities using a characteristic acid catalyzed reaction (methanol esterification of acetic acid), and, more importantly, (3) application of the latter technique to predict conductivity on Nafion in the catalyst layer of the MEA. H2-D2 exchange was found to be suitable for predicting hydrogen activation of Pt catalysts. The Nafion (ca. 30 wt%) on the Pt/C catalyst resides primarily on the external surface of the C support where it blocks significant numbers of micropores, but only partially blocks the pore openings of the meso- and macro-pores wherein lie the small Pt particles (crystallites). For this reason, even with 30 wt% Nafion on the Pt/C, few Pt sites are blocked and, hence, are accessible for hydrogen activation. Of the impurities studied, CO, NH3, perchloroethylene (also known as tetrachloroethylene), tetrahydrofuran, diborane, and metal cations had significant negative effects on the components in a fuel cell. While CO has no effect on the Nafion, it significantly poisons the Pt catalyst by adsorbing and blocking hydrogen activation. The effect can be reversed with time once the flow of CO is stopped. NH3 has no effect on the Pt catalyst at fuel cell conditions; it poisons the proton sites on Nafion (by forming NH4+ cations), decreasing drastically the proton conductivity of Nafion. This poisoning can slowly be reversed once the flow of NH3 is stopped. Perchloroethylene has a major effect on fuel cell performance. Since it has little/no effect on Nafion conductivity, its poisoning effect is on the Pt catalyst. However, this effect takes place primarily for the Pt catalyst at the cathode, since the presence of oxygen is very important for this poisoning effect. Tetrahydrofuran was shown not to impact Nafion conductivity; however, it does affect fuel cell performance. Therefore, its primary effect is on the Pt catalyst. The effect of THF on fuel cell performance is reversible. Diborane also can significant affect fuel cell performance. This effect is reversible once diborane is removed from the inlet streams. H2O2 is not an impurity usually present in the hydrogen or oxygen streams to a fuel cell. However, it is generated during fuel cell operation. The presence of Fe cations in the Nafion due to system corrosion and/or arising from MEA production act to catalyze the severe degradation of the Nafion by H2O2. Finally, the presence of metal cation impurities (Na+, Ca 2+, Fe3+) in Nafion from MEA preparation or from corrosion significantly impacts its proton conductivity due to replacement of proton sites. This effect is not reversible. Hydrocarbons, such as ethylene, might be expected to affect Pt or Nafion but do not at a typical fuel cell temperature of 80oC. In the presence of large quantities of hydrogen on the anode side, ethylene is converted to ethane which is very nonreactive. More surprisingly, even more reactive hydrocarbons such as formic acid and acetaldehyde do not appear to react enough with the strong Bronsted acid sites on Nafion at such low temperatures to affect Nafion conductivity properties. These results clearly identify a number of impurities which can have a detrimental impact on fuel cell performance, although some are reversible. Obviously, fuel cells exposed to impurities/poisons which are reversible can recover their original performance capabilities once the impurity flow is stopped. Impurities with irreversible effects should be either minimized in the feed streams, if possible, or new catalytic materials or ion conductors will need to be used to minimize their impact.« less

Structural and electrical properties of ZnO/Zn0.85Mg0.15O thin film prepared by pulsed laser deposition

NASA Astrophysics Data System (ADS)

Yang, Jing-Jing; Wang, Gang; Du, Wen-Han; Xiong, Chao

2017-07-01

The electrical transport properties are the key factors to determine the performance of ZnO-based quantum effect device. ZnMgO is a typical material to regulate the band of ZnO. In order to investigate the electrical properties of the interface of ZnO/Zn0.85Mg0.15O films, three kinds of ZnO/Zn0.85Mg0.15O films have been fabricated with different thickness. After comparing the structural and electrical properties of the samples, we found that the independent Zn0.85Mg0.15O hexagonal wurtzite structure (002) peak can be detected in XRD spectra. Hall-effect test data confirmed that the two-dimensional electron gas (2DEG) became lower because of the decrease of thickness of Zn0.85Mg0.15O films, increase of impurity scattering and lattice structure distortion caused by the increase of Mg content.

Modified laser-annealing process for improving the quality of electrical P-N junctions and devices

DOEpatents

Wood, Richard F.; Young, Rosa T.

1984-01-01

The invention is a process for producing improved electrical-junction devices. The invention is applicable, for example, to a process in which a light-sensitive electrical-junction device is produced by (1) providing a body of crystalline semiconductor material having a doped surface layer, (2) irradiating the layer with at least one laser pulse to effect melting of the layer, (3) permitting recrystallization of the melted layer, and (4) providing the resulting body with electrical contacts. In accordance with the invention, the fill-factor and open-circuit-voltage parameters of the device are increased by conducting the irradiation with the substrate as a whole at a selected elevated temperature, the temperature being selected to effect a reduction in the rate of the recrystallization but insufficient to effect substantial migration of impurities within the body. In the case of doped silicon substrates, the substrate may be heated to a temperature in the range of from about 200.degree. C. to 500.degree. C.

Aromatic Polythiourea Dielectrics with High Energy Density, High Breakdown Strength, and Low Dielectric Loss

NASA Astrophysics Data System (ADS)

Wu, Shan; Burlingame, Quinn; Lin, Minren; Zhang, Qiming

2013-03-01

There is an increasing demand on dielectric materials with high electric energy density and low loss for a broad range of applications in modern electronics and electrical power systems such as hybrid electric vehicles (HEV), medical defibrillators, filters, and switched-mode power supplies. One major challenge in developing dielectric polymers is how to achieve high energy density Ue while maintaining low dielectric loss, even at very high-applied electric fields. Here we show that amorphous polar-polymers with very low impurity concentration can be promising for realizing such a dielectric polymer. Polar-polymer with high dipole moment and weak dipole coupling can provide relatively high dielectric constant for high Ue, eliminate polarization and conduction losses due to weak dipolar coupling and strong polar-scattering to charge carriers. Indeed, an aromatic polythiourea thin film can maintain low loss to high fields (>1 GV/m) with a high Ue (~ 24 J/cm3) , which is very attractive for energy storage capacitors.

Binding energy of the donor impurities in GaAs-Ga 1- x Al x As quantum well wires with Morse potential in the presence of electric and magnetic fields

NASA Astrophysics Data System (ADS)

Aciksoz, Esra; Bayrak, Orhan; Soylu, Asim

2016-10-01

The behavior of a donor in the GaAs-Ga1-x Al x As quantum well wire represented by the Morse potential is examined within the framework of the effective-mass approximation. The donor binding energies are numerically calculated for with and without the electric and magnetic fields in order to show their influence on the binding energies. Moreover, how the donor binding energies change for the constant potential parameters (D e, r e, and a) as well as with the different values of the electric and magnetic field strengths is determined. It is found that the donor binding energy is highly dependent on the external electric and magnetic fields as well as parameters of the Morse potential. Project supported by the Turkish Science Research Council (TÜBİTAK) and the Financial Supports from Akdeniz and Nigde Universities.

The Effects of Self-Discharge on the Performance of Symmetric Electric Double-Layer Capacitors and Active Electrolyte-Enhanced Supercapacitors: Insights from Modeling and Simulation

NASA Astrophysics Data System (ADS)

Ike, Innocent S.; Sigalas, Iakovos; Iyuke, Sunny E.

2017-02-01

The effects of self-discharge on the performance of symmetric electric double-layer capacitors (EDLCs) and active electrolyte-enhanced supercapacitors were examined by incorporating self-discharge into electrochemical capacitor models during charging and discharging. The sources of self-discharge in capacitors were side reactions or redox reactions and several impurities and electric double-layer (EDL) instability. The effects of self-discharge during capacitor storage was negligible since it took a fully charged capacitor a minimum of 14.0 days to be entirely discharged by self-discharge in all conditions studied, hence self-discharge in storage condition can be ignored. The first and second charge-discharge cycle energy efficiencies η_{{{{E}}1}} and η_{{{{E}}2}} of a capacitor of electrode effective conductivity α1 = 0.05 S/cm with only EDL instability self-discharge with current density J_{{VR}} = 1.25 × 10-3 A/cm2 were 72.33% and 72.34%, respectively. Also, energy efficiencies η_{{{{E}}1}} and η_{{{{E}}2}} of a similar capacitor with both side reactions and redox reactions and EDL instability self-discharges with current densities J_{{VR}} = 0.00125 A/cm2 and J_{{{{VR}}1}} = 0.0032 A/cm2 were 38.13% and 38.14% respectively, compared with 84.24% and 84.25% in a similar capacitor without self-discharge. A capacitor with only EDL instability self-discharge and that with both side reactions and redox reactions and EDL instability self-discharge lost 9.73 Wh and 28.38 Wh of energy, respectively, through self-discharge during charging and discharging. Hence, EDLCs charging and discharging time is significantly dependent on the self-discharge rate which are too large to be ignored.

Donor impurity incorporation during layer growth of Zn II-VI semiconductors

NASA Astrophysics Data System (ADS)

Barlow, D. A.

2017-12-01

The maximum halogen donor concentration in Zn II-VI semiconductors during layer growth is studied using a standard model from statistical mechanics. Here the driving force for incorporation is an increase in entropy upon mixing of the donor impurity into the available anion lattice sites in the host binary. A formation energy opposes this increase and thus equilibrium is attained at some maximum concentration. Considering the halogen donor impurities within the Zn II-VI binary semiconductors ZnO, ZnS, ZnSe and ZnTe, a heat of reaction obtained from reported diatomic bond strengths is shown to be directly proportional to the log of maximum donor concentration. The formation energy can then be estimated and an expression for maximum donor concentration derived. Values for the maximum donor concentration with each of the halogen impurities, within the Zn II-VI compounds, are computed. This model predicts that the halogens will serve as electron donors in these compounds in order of increasing effectiveness as: F, Br, I, Cl. Finally, this result is taken to be equivalent to an alternative model where donor concentration depends upon impurity diffusion and the conduction band energy shift due to a depletion region at the growing crystal's surface. From this, we are able to estimate the diffusion activation energy for each of the impurities mentioned above. Comparisons are made with reported values and relevant conclusions presented.

Impurity doping: a novel strategy for controllable synthesis of functional lanthanide nanomaterials.

PubMed

Chen, Daqin; Wang, Yuansheng

2013-06-07

Many technological nanomaterials are intentionally 'doped' by introducing appropriate amounts of foreign elements into hosts to impart electronic, magnetic and optical properties. In fact, impurity doping was recently found to have significant influence on nucleation and growth of many functional nanocrystals (NCs), and provide a fundamental approach to modify the crystallographic phase, size, morphology, and electronic configuration of nanomaterials. In this feature article, we provide an overview of the most recent progresses in doping-induced control of phase structures, sizes, shapes, as well as performances of functional nanomaterials for the first time. Two kinds of impurity doping strategies, including the homo-valence ion doping and hetero-valence ion doping, are discussed in detail. We lay emphases on impurity doping induced modifications of microstructures and optical properties of upconversion (UC) lanthanide (Ln(3+)) NCs, but do not limit to them. In addition, we also illustrate the control of Ln(3+) activator distribution in the core@shell architecture, which has recently provided scientists with new opportunities for designing and tuning the multi-color emissions of Ln(3+)-doped UC NCs. Finally, the challenges and future perspectives of this novel impurity doping strategy are pointed out.

Optical Absorption and Electric Resistivity of an l-Cysteine Film

NASA Astrophysics Data System (ADS)

Kamada, Masao; Hideshima, Takuya; Azuma, Junpei; Yamamoto, Isamu; Imamura, Masaki; Takahashi, Kazutoshi

2016-12-01

The optical and electric properties of an l-cysteine film have been investigated to understand its applicability to bioelectronics. The fundamental absorption is the allowed transition having the threshold at 5.8 eV and the absorption is due to the charge-transfer type transition from sulfur-3sp to oxygen-2p and/or carbon-2p states, while absorptions more than 9 eV can be explained with intra-atomic transitions in the functional groups. The electric resistivity is 2.0 × 104 Ω m at room temperature and increases as the sample temperature decreases. The results indicate that the l-cysteine film is a p-type semiconductor showing the hole conduction caused by the sulfur-3sp occupied states and unknown impurity or defect states as acceptors. The electron affinity of the l-cysteine film is derived as ≦-0.3 eV.

Experimentally observed evolution between dynamic patterns and intrinsic localized modes in a driven nonlinear electrical cyclic lattice

NASA Astrophysics Data System (ADS)

Shige, S.; Miyasaka, K.; Shi, W.; Soga, Y.; Sato, M.; Sievers, A. J.

2018-02-01

Locked intrinsic localized modes (ILMs) and large amplitude lattice spatial modes (LSMs) have been experimentally measured for a driven 1-D nonlinear cyclic electric transmission line, where the nonlinear element is a saturable capacitor. Depending on the number of cells and electrical lattice damping an LSM of fixed shape can be tuned across the modal spectrum. Interestingly, by tuning the driver frequency away from this spectrum the LSM can be continuously converted into ILMs and vice versa. The differences in pattern formation between simulations and experimental findings are due to a low concentration of impurities. Through this novel nonlinear excitation and switching channel in cyclic lattices either energy balanced or unbalanced LSMs and ILMs may occur. Because of the general nature of these dynamical results for nonintegrable lattices applications are to be expected. The ultimate stability of driven aero machinery containing nonlinear periodic structures may be one example.

Disordered nuclear pasta, magnetic field decay, and crust cooling in neutron stars

NASA Astrophysics Data System (ADS)

Horowitz, C. J.; Berry, D. K.; Briggs, C. M.; Caplan, M. E.; Cumming, A.; Schneider, A. S.

2015-04-01

Nuclear pasta, with non-spherical shapes, is expected near the base of the crust in neutron stars. Large scale molecular dynamics simulations of pasta show long lived topological defects that could increase electron scattering and reduce both the thermal and electrical conductivities. We model a possible low conductivity pasta layer by increasing an impurity parameter Qimp. Predictions of light curves for the low mass X-ray binary MXB 1659-29, assuming a large Qimp, find continued late time cooling that is consistent with Chandra observations. The electrical and thermal conductivities are likely related. Therefore observations of late time crust cooling can provide insight on the electrical conductivity and the possible decay of neutron star magnetic fields (assuming these are supported by currents in the crust). This research was supported in part by DOE Grants DE-FG02-87ER40365 (Indiana University) and DE-SC0008808 (NUCLEI SciDAC Collaboration).

Semiconductor millimeter wavelength electronics

NASA Astrophysics Data System (ADS)

Rosenbaum, F. J.

1985-12-01

This final report summarizes the results of research carried out on topics in millimeter wavelength semiconductor electronics under an ONR Selected Research Opportunity program. Study areas included III-V compound semiconductor growth and characterization, microwave and millimeter wave device modeling, fabrication and testing, and the development of new device concepts. A new millimeter wave mixer and detector, the Gap diode was invented. Topics reported on include ballistic transport, Zener oscillations, impurities in GaAs, electron velocity-electric field calculation and measurements, etc., calculations.

Highly conductive and transparent thin ZnO films prepared in situ in a low pressure system

NASA Astrophysics Data System (ADS)

Ataev, B. M.; Bagamadova, A. M.; Mamedov, V. V.; Omaev, A. K.; Rabadanov, M. R.

1999-03-01

Sucessful preparation of ZnO : M epitaxial thin films (ETF) in situ doped with donor impurity M=Ga, Sn by chemical vapor despsition in a low-pressure system is reported. Highly conductive (up to 10 -4 Ω cm) and transparent ( T>85%) ZnO : M ETF have been successfully produced on single crystal (1012) sapphire substrates. Electrical properties of the films as well as their excition luminescence were studied.

Image Charge and Electric Field Effects on Hydrogen-like Impurity-bound Polaron Energies and Oscillator Strengths in a Quantum Dot

NASA Astrophysics Data System (ADS)

Vardanyan, L. A.; Vartanian, A. L.; Asatryan, A. L.; Kirakosyan, A. A.

2016-11-01

By using Landau-Pekar variational method, the ground and the first excited state energies and the transition frequencies between the ground and the first excited states of a hydrogen-like impurity-bound polaron in a spherical quantum dot (QD) have been studied by taking into account the image charge effect (ICE). We employ the dielectric continuum model to describe the phonon confinement effects. The oscillator strengths (OSs) of transitions from the 1 s-like state to excited states of 2 s, 2 p x , and 2 p z symmetries are calculated as functions of the applied electric field and strength of the confinement potential. We have shown that with and without image charge effect, the increase of the strength of the parabolic confinement potential leads to the increase of the oscillator strengths of 1 s - 2 p x and 1 s - 2 p z transitions. This indicates that the energy differences between 1 s- and 2 p x - as well as 1 s- and 2 p z -like states have a dominant role determining the oscillator strength. Although there is almost no difference in the oscillator strengths for transitions 1 s - 2 p x and 1 s -2 p z when the image charge effect is not taken into account, it becomes significant with the image charge effect.

The effect of substrate distance to evaporation source on morphology of ZnO:In nanorods fabricated by means of a vapor transfer route and the study of their optical and electrical properties

NASA Astrophysics Data System (ADS)

Ghafouri, Vahid; Shariati, Mohsen; Ebrahimzad, Akbar

2014-03-01

High-quality polycrystalline and single crystalline Indium-doped ZnO (ZnO:In) nanorods (NRs) have been synthesized on Si (100) substrates via a vapor transfer route in an oxygen-rich tube furnace. The morphology of the nanostructures and their distribution on the surface is highly related to distance between the substrate and evaporation sources. The morphology can be adjusted from micro-porous film to the vertically aligned hexagonal NRs by this distance. The diameter of the grown NRs varies between 50 and 200 nm, and their length mostly changes from 1 to 3 mm. EDS analysis indicated the presence of zinc, oxygen, and indium in the structures. FTIR measurements confirmed the existence of Zn-O and In-O bands in ZnO:In NRs. X-ray diffractions and SAED patterns showed that the vertically aligned hexagonal NRs have a preferential orientation along the (002) direction. Room-temperature photoluminescence (PL) spectra of NRs are dominated by a green band emission between 420 and 700 nm. The peak of the green emission has shifted in different samples, which is probably due to indium impurity. The results of the electrical transport measurement of the NRs showed that the amount of In impurity is effective in the increase of samples' conductivity.

Effect of 50 MeV Li3 + irradiation on structural and electrical properties of Mn-doped ZnO

NASA Astrophysics Data System (ADS)

Neogi, S. K.; Chattopadhyay, S.; Banerjee, Aritra; Bandyopadhyay, S.; Sarkar, A.; Kumar, Ravi

2011-05-01

The present work aims to study the effect of ion irradiation on structural and electrical properties and their correlation with the defects in the Zn1 - xMnxO-type system. Zn1 - xMnxO (x = 0.02, 0.04) samples have been synthesized by the solid-state reaction method and have been irradiated with 50 MeV Li3 + ions. The concomitant changes have been probed by x-ray diffraction (XRD), temperature-dependent electrical resistivity and positron annihilation lifetime (PAL) spectroscopy. The XRD result shows a single-phase wurtzite structure for Zn0.98Mn0.02O, whereas for the Zn0.96Mn0.04O sample an impurity phase has been found, apart from the usual peaks of ZnO. Ion irradiation removes this impurity peak. The grain size of the samples is found to be uniform. For Zn0.98Mn0.02O, the observed sharp decrease in room temperature resistivity (ρRT) with irradiation is consistent with the lowering of the full width at half maximum of the XRD peaks. However, for Zn0.96Mn0.04O, ρRT decreases for the initial fluence but increases for a further increase in fluence. All the irradiated Zn0.98Mn0.02O samples show a metal-semiconductor transition in temperature-dependent resistivity measurements at low temperature. But all the irradiated Zn0.96Mn0.04O samples show a semiconducting nature in the whole range of temperatures. Results of room temperature resistivity, XRD and PAL measurements are consistent with each other.

Effect of 50 MeV Li3+ irradiation on structural and electrical properties of Mn-doped ZnO.

PubMed

Neogi, S K; Chattopadhyay, S; Banerjee, Aritra; Bandyopadhyay, S; Sarkar, A; Kumar, Ravi

2011-05-25

The present work aims to study the effect of ion irradiation on structural and electrical properties and their correlation with the defects in the Zn(1 - x)Mn(x)O-type system. Zn(1 - x)Mn(x)O (x = 0.02, 0.04) samples have been synthesized by the solid-state reaction method and have been irradiated with 50 MeV Li(3+) ions. The concomitant changes have been probed by x-ray diffraction (XRD), temperature-dependent electrical resistivity and positron annihilation lifetime (PAL) spectroscopy. The XRD result shows a single-phase wurtzite structure for Zn(0.98)Mn(0.02)O, whereas for the Zn(0.96)Mn(0.04)O sample an impurity phase has been found, apart from the usual peaks of ZnO. Ion irradiation removes this impurity peak. The grain size of the samples is found to be uniform. For Zn(0.98)Mn(0.02)O, the observed sharp decrease in room temperature resistivity (ρ(RT)) with irradiation is consistent with the lowering of the full width at half maximum of the XRD peaks. However, for Zn(0.96)Mn(0.04)O, ρ(RT) decreases for the initial fluence but increases for a further increase in fluence. All the irradiated Zn(0.98)Mn(0.02)O samples show a metal-semiconductor transition in temperature-dependent resistivity measurements at low temperature. But all the irradiated Zn(0.96)Mn(0.04)O samples show a semiconducting nature in the whole range of temperatures. Results of room temperature resistivity, XRD and PAL measurements are consistent with each other.

Metrology for hydrogen energy applications: a project to address normative requirements

NASA Astrophysics Data System (ADS)

Haloua, Frédérique; Bacquart, Thomas; Arrhenius, Karine; Delobelle, Benoît; Ent, Hugo

2018-03-01

Hydrogen represents a clean and storable energy solution that could meet worldwide energy demands and reduce greenhouse gases emission. The joint research project (JRP) ‘Metrology for sustainable hydrogen energy applications’ addresses standardisation needs through pre- and co-normative metrology research in the fast emerging sector of hydrogen fuel that meet the requirements of the European Directive 2014/94/EU by supplementing the revision of two ISO standards that are currently too generic to enable a sustainable implementation of hydrogen. The hydrogen purity dispensed at refueling points should comply with the technical specifications of ISO 14687-2 for fuel cell electric vehicles. The rapid progress of fuel cell technology now requires revising this standard towards less constraining limits for the 13 gaseous impurities. In parallel, optimized validated analytical methods are proposed to reduce the number of analyses. The study aims also at developing and validating traceable methods to assess accurately the hydrogen mass absorbed and stored in metal hydride tanks; this is a research axis for the revision of the ISO 16111 standard to develop this safe storage technique for hydrogen. The probability of hydrogen impurity presence affecting fuel cells and analytical techniques for traceable measurements of hydrogen impurities will be assessed and new data of maximum concentrations of impurities based on degradation studies will be proposed. Novel validated methods for measuring the hydrogen mass absorbed in hydrides tanks AB, AB2 and AB5 types referenced to ISO 16111 will be determined, as the methods currently available do not provide accurate results. The outputs here will have a direct impact on the standardisation works for ISO 16111 and ISO 14687-2 revisions in the relevant working groups of ISO/TC 197 ‘Hydrogen technologies’.

Characterization of the isomeric configuration and impurities of (Z)-endoxifen by 2D NMR, high resolution LC⬜MS, and quantitative HPLC analysis.

PubMed

Elkins, Phyllis; Coleman, Donna; Burgess, Jason; Gardner, Michael; Hines, John; Scott, Brendan; Kroenke, Michelle; Larson, Jami; Lightner, Melissa; Turner, Gregory; White, Jonathan; Liu, Paul

2014-01-01

(Z)-Endoxifen (4-hydroxy-N-desmethyltamoxifen), an active metabolite generated via actions of CYP3A4/5 and CYP2D6, is a more potent selective estrogen receptor modulator (SERM) than tamoxifen. In the MCF-7 human mammary tumor xenograft model with female athymic mice, (Z)-endoxifen, at an oral dose of 4⬜8 mg/kg, significantly inhibits tumor growth. (Z)-Endoxifen's potential as an alternative therapeutic agent independent of CYP2D6 activities, which can vary widely in ER+ breast cancer patients, is being actively evaluated. This paper describes confirmation of the configuration of the active (Z)-isomer through 2D NMR experiments, including NOE (ROESY) to establish spatial proton⬜proton correlations, and identification of the major impurity as the (E)-isomer in endoxifen drug substance by HPLC/HRMS (HPLC/MS-TOF). Stability of NMR solutions was confirmed by HPLC/UV analysis. For pre-clinical studies, a reverse-phase HPLC⬜UV method, with methanol/water mobile phases containing 10 mM ammonium formate at pH 4.3, was developed and validated for the accurate quantitation and impurity profiling of drug substance and drug product. Validation included demonstration of linearity, method precision, accuracy, and specificity in the presence of impurities, excipients (for the drug product), and degradation products. Ruggedness and reproducibility of the method were confirmed by collaborative studies between two independent laboratories. The method is being applied for quality control of the API and oral drug product. Kinetic parameters of Z- to E-isomerization were also delineated in drug substance and in aqueous formulation, showing conversion at temperatures above 25 °C. Copyright © 2014 Elsevier B.V. All rights reserved.

In situ characterization of the oxidative degradation of a polymeric light emitting device

NASA Astrophysics Data System (ADS)

Cumpston, B. H.; Parker, I. D.; Jensen, K. F.

1997-04-01

Light-emitting devices with polymeric emissive layers have great promise for the production of large-area, lightweight, flexible color displays, but short lifetimes currently limit applications. We address mechanisms of bulk polymer degradation in these devices and show through in situ Fourier transform infrared characterization of working light-emitting devices with active layers of poly[2-methoxy,5-(2'-ethyl-hexoxy)-1,4-phenylene vinylene] that oxygen is responsible for the degradation of the polymer film. A mechanism is given based on the formation of singlet oxygen from oxygen impurities in the film via energy transfer from a nonradiative exciton. Fourier transform infrared and x-ray photoelectron spectroscopy results are consistent with the mechanism, involving singlet oxygen attack followed by free radical processes. We further show that oxygen readily diffuses into the active polymer layer, changing the electrical characteristics of the film even at low concentrations. Thus, polyphenylene-vinylene-based light-emitting devices will self-destruct during operation if fabricated without special attention to eliminating oxygen contamination during fabrication and device operation.

Metal impurity fluxes and plasma-surface interactions in EXTRAP T2R

NASA Astrophysics Data System (ADS)

Bergsåker, H.; Menmuir, S.; Rachlew, E.; Brunsell, P. R.; Frassinetti, L.; Drake, J. R.

2008-03-01

The EXTRAP T2R is a large aspect ratio Reversed Field Pinch device. The main focus of interest for the experiments is the active feedback control of resistive wall modes [1]. With feedback it has been possible to prolong plasma discharges in T2R from about 20 ms to nearly 100 ms. In a series of experiments in T2R, in H- and D- plasmas with and without feedback, quantitative spectroscopy and passive collector probes have been used to study the flux of metal impurities. Time resolved spectroscopic measurements of Cr and Mo lines showed large metal release towards discharge termination without feedback. Discharge integrated fluxes of Cr, Fe, Ni and Mo were also measured with collector probes at wall position. Reasonable quantitative agreement was found between the spectroscopic and collector probe measurements. The roles of sputtering, thermal evaporation and arcing in impurity production are evaluated based on the composition of the measured impurity flux.

Measurement of trace impurities in ultra pure hydrogen and deuterium at the parts-per-billion level using gas chromatography

NASA Astrophysics Data System (ADS)

Ganzha, V.; Ivshin, K.; Kammel, P.; Kravchenko, P.; Kravtsov, P.; Petitjean, C.; Trofimov, V.; Vasilyev, A.; Vorobyov, A.; Vznuzdaev, M.; Wauters, F.

2018-02-01

A series of muon experiments at the Paul Scherrer Institute in Switzerland deploy ultra-pure hydrogen active targets. A new gas impurity analysis technique was developed, based on conventional gas chromatography, with the capability to measure part-per-billion (ppb) traces of nitrogen and oxygen in hydrogen and deuterium. Key ingredients are a cryogenic admixture accumulation, a directly connected sampling system and a dedicated calibration setup. The dependence of the measured concentration on the sample volume was investigated, confirming that all impurities from the sample gas are collected in the accumulation column and measured with the gas chromatograph. The system was calibrated utilizing dynamic dilution of admixtures into the gas flow down to sub-ppb level concentrations. The total amount of impurities accumulated in the purification system during a three month long experimental run was measured and agreed well with the calculated amount based on the measured concentrations in the flow.

Removal of phenanthrene in aqueous solution containing photon competitors by TiO2-C-Ag film supported on fiberglass.

PubMed

González-Ramírez, Denisse Fabiola; Ávila-Pérez, Pedro; Torres-Bustillos, Luis G; Aguilar-López, Ricardo; Montes-Horcasitas, María C; Esparza-García, Fernando J; Rodríguez-Vázquez, Refugio

2017-07-03

Surface interactions with pollutants and photons are key factors that affect the applications of TiO 2 in environmental remediation. In this study, the solubilizing agents dimethylsulfoxide and polyoxyethylene sorbitan monooleate, which act as photon competitors, had no effect on the photocatalytic activity of TiO 2 -C-Ag film in phenanthrene (PHE) removal. Fiberglass with TiO 2 -C-Ag coating removed 91.1 ± 5.2 and 99.7 ± 0.4% of PHE in treatments using UVA (365-465 nm) and UVC (254 nm) irradiation, respectively. The use of fiberglass as a support increased the superficial area, thus allowing PHE sorption. C and Ag, which are electrically active impurities in TiO 2 , enhanced its photocatalytic activity and thus the attraction of the pollutant to its surface. The use of high-frequency UV light (UVC) decreased the amount of carbon species deposited on the TiO 2 CAg film surface. X-ray photoelectron spectroscopy of the TiO 2 -C-Ag film revealed extensive oxidation of the carbon deposited on the film under UVC light and loss of electrons from Ag clusters by conversion of Ag 0 to Ag 3+ .

Assessment of a field-aligned ICRF antenna

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wukitch, S. J.; Brunner, D.; Ennever, P.

Impurity contamination and localized heat loads associated with ion cyclotron range of frequency (ICRF) antenna operation are among the most challenging issues for ICRF utilization.. Another challenge is maintaining maximum coupled power through plasma variations including edge localized modes (ELMs) and confinement transitions. Here, we report on an experimental assessment of a field aligned (FA) antenna with respect to impurity contamination, impurity sources, RF enhanced heat flux and load tolerance. In addition, we compare the modification of the scrape of layer (SOL) plasma potential of the FA antenna to a conventional, toroidally aligned (TA) antenna, in order to explore themore » underlying physics governing impurity contamination linked to ICRF heating. The FA antenna is a 4-strap ICRF antenna where the current straps and antenna enclosure sides are perpendicular to and the Faraday screen rods are parallel to the total magnetic field. In principle, alignment with respect to the total magnetic field minimizes integrated E∥ (electric field along a magnetic field line) via symmetry. Consistent with expectations, we observed that the impurity contamination and impurity source at the FA antenna are reduced compared to the TA antenna. In both L and H-mode discharges, the radiated power is 20–30% lower for a FA-antenna heated discharge than a discharge heated with the TA-antennas. Further we observe that the fraction of RF energy deposited upon the antenna is less than 0.4 % of the total injected RF energy in dipole phasing. The total deposited energy increases significantly when the FA antenna is operated in monopole phasing. The FA antenna also exhibits an unexpected load tolerance for ELMs and confinement transitions compared to the TA antennas. However, inconsistent with expectations, we observe RF induced plasma potentials to be nearly identical for FA and TA antennas when operated in dipole phasing. In monopole phasing, the FA antenna has the highest plasma potentials and poor heating efficiency despite calculations indicating low integrated E∥. In mode conversion heating scenario, no core waves were detected in the plasma core indicating poor wave penetration. For monopole phasing, simulations suggest the antenna spectrum is peaked at very short wavelength and full wave simulations show the short wavelength has poor wave penetration to the plasma core.« less

Kinetic neoclassical calculations of impurity radiation profiles

DOE PAGES

Stotler, D. P.; Battaglia, D. J.; Hager, R.; ...

2016-12-30

Modifications of the drift-kinetic transport code XGC0 to include the transport, ionization, and recombination of individual charge states, as well as the associated radiation, are described. The code is first applied to a simulation of an NSTX H-mode discharge with carbon impurity to demonstrate the approach to coronal equilibrium. The effects of neoclassical phenomena on the radiated power profile are examined sequentially through the activation of individual physics modules in the code. Orbit squeezing and the neoclassical inward pinch result in increased radiation for temperatures above a few hundred eV and changes to the ratios of charge state emissions atmore » a given electron temperature. As a result, analogous simulations with a neon impurity yield qualitatively similar results.« less

Extrinsic germanium Blocked Impurity Bank (BIB) detectors

NASA Technical Reports Server (NTRS)

Krabach, Timothy N.; Huffman, James E.; Watson, Dan M.

1989-01-01

Ge:Ga blocked-impurity-band (BIB) detectors with long wavelength thresholds greater than 190 microns and peak quantum efficiencies of 4 percent, at an operating temperature of 1.8 K, have been fabricated. These proof of concept devices consist of a high purity germanium blocking layer epitaxially grown on a Ga-doped Ge substrate. This demonstration of BIB behavior in germanium enables the development of far infrared detector arrays similar to the current silicon-based devices. Present efforts are focussed on improving the chemical vapor deposition process used to create the blocking layer and on the lithographic processing required to produce monolithic detector arrays in germanium. Approaches to test the impurity levels in both the blocking and active layers are considered.

Effects of magnetic impurity scattering on superfluid 3He in aerogel

NASA Astrophysics Data System (ADS)

Aoyama, Kazushi; Ikeda, Ryusuke

2009-02-01

We investigate impurity effects on superfluid 3He in aerogel whose surface is not coated with 4He, different from most experimental situations. In systems with no 4He coating, spins of solid 3He absorbed on the aerogel surface are active and interact with spins of quasiparticles relevant to superfluidity and, for this reason, such an aerogel is treated as magnetic scatterers. It is found that, in the ABM pairing state affected by magnetic scatterings, not only the l-vector but also the d-vector has no long-ranged orientational order, and that the strong-coupling correction due to impurity scatterings is less suppressed than that in the nonmagnetic case, implying an expansion of the A-like phase region.

Acoustic Properties of Crystals with Jahn-Teller Impurities: Elastic Moduli and Relaxation Time. Application to SrF2:Cr2+

NASA Astrophysics Data System (ADS)

Averkiev, Nikita S.; Bersuker, Isaac B.; Gudkov, Vladimir V.; Zhevstovskikh, Irina V.; Sarychev, Maksim N.; Zherlitsyn, Sergei; Yasin, Shadi; Shakurov, Gilman S.; Ulanov, Vladimir A.; Surikov, Vladimir T.

2017-11-01

A new approach to evaluate the relaxation contribution to the total elastic moduli for crystals with Jahn-Teller (JT) impurities is worked out and applied to the analysis of the experimentally measured ultrasound velocity and attenuation in SrF2:Cr2+. Distinguished from previous work, the background adiabatic contribution to the moduli, important for revealing the impurity relaxation contribution, is taken into account. The temperature dependence of the relaxation time for transitions between the equivalent configurations of the JT centers has been obtained, and the activation energy for the latter in SrF2:Cr2+, as well as the linear vibronic coupling constant have been evaluated.

Schottky barrier solar cell

NASA Technical Reports Server (NTRS)

Stirn, R. J.; Yeh, Y. C. M. (Inventor)

1981-01-01

A method of fabricating a Schottky barrier solar cell is described. The cell consists of a thin substrate of low cost material with at least the top surface of the substrate being electrically conductive. A thin layer of heavily doped n-type polycrystalling germanium is deposited on the substrate after a passivation layer is deposited to prevent migration of impurities into the polycrystalline germanium. The polycrystalline germanium is recrystallized to increase the crystal sizes to serve as a base layer on which a thin layer of gallium arsenide is vapor-epitaxilly grown followed by a thermally-grown oxide layer. A metal layer is deposited on the oxide layer and a grid electrode is deposited to be in electrical contact with the top surface of the metal layer.

Electrical resistivity of La

DOE Office of Scientific and Technical Information (OSTI.GOV)

Legvold, S.; Burgardt, P.; Beaudry, B.J.

1977-09-15

The electrical resistivity of high-purity double hexagonal-close-packed (dhcp) ..cap alpha..-La from 5 to 300 K is reported. Measurements were made on small-grained samples prepared by heat treatment of cold-worked lanthanum. Measurements were also made on samples cut in different directions from an ingot slowly cooled from the molten state. The room-temperature results were all within 2% of the mean value. Chemically pure ..beta..-La (fcc) cannot be retained at room temperature, hence, measurements were made on an fcc sample of La containing 0.2-at. % Gd and approx. 0.8-at. % total interstitial nonmetallic impurities. The cubic form has almost the same typemore » of temperature dependence as the dhcp form, but has a 10% lower magnitude.« less

Low Cost Solar Array Project: Composition Measurements by Analytical Photon Catalysis

NASA Technical Reports Server (NTRS)

Sutton, D. G.; Galvan, L.; Melzer, J.; Heidner, R. F., III

1979-01-01

The applicability of the photon catalysis technique for effecting composition analysis of silicon samples was assessed. Third quarter activities were devoted to the study of impurities in silicon matrices. The evaporation process was shown to be congruent; thus, the spectral analysis of the vapor yields the composition of the bulk sample. Qualitative analysis of metal impurities in silicon was demonstrated e part per million level. Only one atomic spectral interference was noted; however, it is imperative to maintain a leak tight system due to chemical and spectral interferences caused by the presence of even minute amounts of oxygen in the active nitrogen afterglow.

Methodological assessment of the reduction of the content of impurities in nimodipine emulsion via the use of 21 amino acid protection

PubMed Central

Xie, Yiqiao; Zhuang, Zhiquan; Zhang, Shu; Xia, Zihua; Chen, De; Fan, Kaiyan; Ren, Jialin; Lin, CuiCui; Chen, Yanzhong; Yang, Fan

2017-01-01

Purpose The present study examined the factors affecting the content of impurities of nimodipine (NMP) emulsion and the associated methods of compound protection. Methods Destructive testing of NMP emulsion and its active pharmaceutical ingredient (API) were conducted, and ultracentrifugation was used to study the content of impurities in two phases. The impurity of NMP was measured under different potential of hydrogen (pH) conditions, antioxidants and pH-adjusting agents. Results Following destruction, the degradation of NMP notably occurred in the basic environment. The consumption of the pH-adjusting agent NaOH was proportional to the production of impurities since the inorganic base and/or acid promoted the degradation of NMP. The organic antioxidants, notably amino acids with an appropriate length of intermediate chain and electron-donating side group, exhibited improved antioxidant effects compared with inorganic antioxidants. The minimal amount of impurities was produced following addition of 0.04% lysine and 0.06% leucine in the aqueous phase and adjustment of the pH to a range of 7.5–8.0 in the presence of acetic acid solution. Conclusion NMP was more prone to degradation in an oxidative environment, in an aqueous phase and/or in the presence of inorganic pH-adjusting agents and antioxidants. The appropriate antioxidant and pH-adjusting agent should be selected according to the chemical structure, while destructive testing of the drug is considered to play the optimal protective effect. PMID:28490879

Dipole moment and polarizability of impurity doped quantum dots under anisotropy, spatially-varying effective mass and dielectric screening function: Interplay with noise

NASA Astrophysics Data System (ADS)

Ghosh, Anuja; Ghosh, Manas

2018-01-01

Present work explores the profiles of polarizability (αp) and electric dipole moment (μ) of impurity doped GaAs quantum dot (QD) under the aegis of spatially-varying effective mass, spatially-varying dielectric constant and anisotropy of the system. Presence of noise has also been invoked to examine how its intervention further tunes αp and μ. Noise term maintains a Gaussian white feature and it has been incorporated to the system through two different roadways; additive and multiplicative. The various facets of influence of spatially-varying effective mass, spatially-varying dielectric constant and anisotropy on αp and μ depend quite delicately on presence/absence of noise and also on the mode through which noise has been administered. The outcomes of the study manifest viable routes to harness the dipole moment and polarizability of doped QD system through the interplay between noise, anisotropy and variable effective mass and dielectric constant of the system.

An effective method for thallium bromide purification and research on crystal properties

NASA Astrophysics Data System (ADS)

Zheng, Zhiping; Meng, Fang; Gong, Shuping; Quan, Lin; Wang, Jing; Zhou, Dongxiang

2012-06-01

Thallium bromide (TlBr) is a promising candidate for room-temperature X- and gamma-ray detectors in view of its excellent intrinsic features. However, material purity and crystal quality concerns still limit the use of TlBr crystals as detectors. In this work, a combination of hydrothermal recrystallization (HR) and vacuum distillation (VD) methods were applied to purify TlBr salts prior to crystal growth. Trace impurities at the ppb/ppm level were determined by inductively coupled plasma mass spectroscopy (ICP-MS). The results showed that the impurity concentrations of the TlBr salt decreased significantly after HR and VD purification, and high performance of the resultant TlBr crystal in areas such as electrical and optical properties was achieved. The combination of HR and VD methods could fabricate purer material, with an order of magnitude higher resistivity and better optical quality, than HR or VD method used separately. The possible technological considerations affecting the parameters of the crystals are investigated.

Organic light-emitting devices using spin-dependent processes

DOEpatents

Vardeny, Z. Valy; Wohlgenannt, Markus

2010-03-23

The maximum luminous efficiency of organic light-emitting materials is increased through spin-dependent processing. The technique is applicable to all electro-luminescent processes in which light is produced by singlet exciton decay, and all devices which use such effects, including LEDs, super-radiant devices, amplified stimulated emission devices, lasers, other optical microcavity devices, electrically pumped optical amplifiers, and phosphorescence (Ph) based light emitting devices. In preferred embodiments, the emissive material is doped with an impurity, or otherwise modified, to increase the spin-lattice relaxation rate (i.e., decrease the spin-lattice time), and hence raise the efficiency of the device. The material may be a polymer, oligomer, small molecule, single crystal, molecular crystal, or fullerene. The impurity is preferably a magnetic or paramagnetic substance. The invention is applicable to IR, UV, and other electromagnetic radiation generation and is thus not limited to the visible region of the spectrum. The methods of the invention may also be combined with other techniques used to improve device performance.

Spatial Distortion of Vibration Modes via Magnetic Correlation of Impurities

DOE Office of Scientific and Technical Information (OSTI.GOV)

Krasniqi, Faton S.; Zhong, Yinpeng; Epp, S. W.

Long wavelength vibrational modes in the ferromagnetic semiconductor Ga 0.91M n0.09As are investigated using time resolved x-ray diffraction. At room temperature, we measure oscillations in the x-ray diffraction intensity corresponding to coherent vibrational modes with well-defined wavelengths. When the correlation of magnetic impurities sets in, we observe the transition of the lattice into a disordered state that does not support coherent modes at large wavelengths. Our measurements point toward a magnetically induced broadening of long wavelength vibrational modes in momentum space and their quasilocalization in the real space. More specifically, long wavelength vibrational modes cannot be assigned to a singlemore » wavelength but rather should be represented as a superposition of plane waves with different wavelengths. Lastly, our findings have strong implications for the phonon-related processes, especially carrier-phonon and phonon-phonon scattering, which govern the electrical conductivity and thermal management of semiconductor-based devices.« less

Insight into unusual impurity absorbability of GeO(2) in GeO(2)∕Ge stacks.

PubMed

Ogawa, Shingo; Suda, Taichi; Yamamoto, Takashi; Kutsuki, Katsuhiro; Hideshima, Iori; Hosoi, Takuji; Shimura, Takayoshi; Watanabe, Heiji

2011-10-03

Adsorbed species and its diffusion behaviors in GeO(2)∕Ge stacks, which are future alternative metal-oxide-semiconductor (MOS) materials, have been investigated using various physical analyses. We clarified that GeO(2) rapidly absorbs moisture in air just after its exposure. After the absorbed moisture in GeO(2) reaches a certain limit, the GeO(2) starts to absorb some organic molecules, which is accompanied by a structural change in GeO(2) to form a partial carbonate or hydroxide. We also found that the hydrogen distribution in GeO(2) shows intrinsic characteristics, indicative of different diffusion behaviors at the surface and at the GeO(2)∕Ge interface. Because the impurity absorbability of GeO(2) has a great influence on the electrical properties in Ge-MOS devices, these results provide valuable information in realizing high quality GeO(2)∕Ge stacks for the actual use of Ge-MOS technologies.

Wide Bandgap Extrinsic Photoconductive Switches

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sullivan, James S.

2013-07-03

Semi-insulating Gallium Nitride, 4H and 6H Silicon Carbide are attractive materials for compact, high voltage, extrinsic, photoconductive switches due to their wide bandgap, high dark resistance, high critical electric field strength and high electron saturation velocity. These wide bandgap semiconductors are made semi-insulating by the addition of vanadium (4H and 6HSiC) and iron (2H-GaN) impurities that form deep acceptors. These deep acceptors trap electrons donated from shallow donor impurities. The electrons can be optically excited from these deep acceptor levels into the conduction band to transition the wide bandgap semiconductor materials from a semi-insulating to a conducting state. Extrinsic photoconductivemore » switches with opposing electrodes have been constructed using vanadium compensated 6H-SiC and iron compensated 2H-GaN. These extrinsic photoconductive switches were tested at high voltage and high power to determine if they could be successfully used as the closing switch in compact medical accelerators.« less

Tomonaga–Luttinger physics in electronic quantum circuits

PubMed Central

Jezouin, S.; Albert, M.; Parmentier, F. D.; Anthore, A.; Gennser, U.; Cavanna, A.; Safi, I.; Pierre, F.

2013-01-01

In one-dimensional conductors, interactions result in correlated electronic systems. At low energy, a hallmark signature of the so-called Tomonaga–Luttinger liquids is the universal conductance curve predicted in presence of an impurity. A seemingly different topic is the quantum laws of electricity, when distinct quantum conductors are assembled in a circuit. In particular, the conductances are suppressed at low energy, a phenomenon called dynamical Coulomb blockade. Here we investigate the conductance of mesoscopic circuits constituted by a short single-channel quantum conductor in series with a resistance, and demonstrate a proposed link to Tomonaga–Luttinger physics. We reformulate and establish experimentally a recently derived phenomenological expression for the conductance using a wide range of circuits, including carbon nanotube data obtained elsewhere. By confronting both conductance data and phenomenological expression with the universal Tomonaga–Luttinger conductance curve, we demonstrate experimentally the predicted mapping between dynamical Coulomb blockade and the transport across a Tomonaga–Luttinger liquid with an impurity. PMID:23653214

Spatial Distortion of Vibration Modes via Magnetic Correlation of Impurities

DOE PAGES

Krasniqi, Faton S.; Zhong, Yinpeng; Epp, S. W.; ...

2018-03-08

Long wavelength vibrational modes in the ferromagnetic semiconductor Ga 0.91M n0.09As are investigated using time resolved x-ray diffraction. At room temperature, we measure oscillations in the x-ray diffraction intensity corresponding to coherent vibrational modes with well-defined wavelengths. When the correlation of magnetic impurities sets in, we observe the transition of the lattice into a disordered state that does not support coherent modes at large wavelengths. Our measurements point toward a magnetically induced broadening of long wavelength vibrational modes in momentum space and their quasilocalization in the real space. More specifically, long wavelength vibrational modes cannot be assigned to a singlemore » wavelength but rather should be represented as a superposition of plane waves with different wavelengths. Lastly, our findings have strong implications for the phonon-related processes, especially carrier-phonon and phonon-phonon scattering, which govern the electrical conductivity and thermal management of semiconductor-based devices.« less

Growth condition dependence of unintentional oxygen incorporation in epitaxial GaN

PubMed Central

Schubert, Felix; Wirth, Steffen; Zimmermann, Friederike; Heitmann, Johannes; Mikolajick, Thomas; Schmult, Stefan

2016-01-01

Abstract Growth conditions have a tremendous impact on the unintentional background impurity concentration in gallium nitride (GaN) synthesized by molecular beam epitaxy and its resulting chemical and physical properties. In particular for oxygen identified as the dominant background impurity we demonstrate that under optimized growth stoichiometry the growth temperature is the key parameter to control its incorporation and that an increase by 55 °C leads to an oxygen reduction by one order of magnitude. Quantitatively this reduction and the resulting optical and electrical properties are analyzed by secondary ion mass spectroscopy, photoluminescence, capacitance versus voltage measurements, low temperature magneto-transport and parasitic current paths in lateral transistor test structures based on two-dimensional electron gases. At a growth temperature of 665 °C the residual charge carrier concentration is decreased to below 1015 cm−3, resulting in insulating behavior and thus making the material suitable for beyond state-of-the-art device applications. PMID:27877874

Quantitative Analysis of Scattering Mechanisms in Highly Crystalline CVD MoS2 through a Self-Limited Growth Strategy by Interface Engineering.

PubMed

Wan, Xi; Chen, Kun; Xie, Weiguang; Wen, Jinxiu; Chen, Huanjun; Xu, Jian-Bin

2016-01-27

The electrical performance of highly crystalline monolayer MoS2 is remarkably enhanced by a self-limited growth strategy on octadecyltrimethoxysilane self-assembled monolayer modified SiO2 /Si substrates. The scattering mechanisms in low-κ dielectric, including the dominant charged impurities, acoustic deformation potentials, optical deformation potentials), Fröhlich interaction, and the remote interface phonon interaction in dielectrics, are quantitatively analyzed. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Bulk crystal growth of Ga2O3

NASA Astrophysics Data System (ADS)

Kuramata, Akito; Koshi, Kimiyoshi; Watanabe, Shinya; Yamaoka, Yu; Masui, Takekazu; Yamakoshi, Shigenobu

2018-02-01

This paper describes the bulk crystal growth of β-Ga2O3 using edge-defined film-fed growth (EFG) process. We first describe the method of the crystal growth and show that large-size crystal with width of up to 6 inch can be grown. Then, we discuss the way to control electrical properties. In the discussion, we give some experimental results of residual impurity measurement, intentional doping using Si and Sn for n-type doping and Fe for insulating doping.

Predicting threshold and location of laser damage on optical surfaces

DOEpatents

Siekhaus, Wigbert

1987-01-01

An apparatus useful in the prediction of the damage threshold of various optical devices, the location of weak spots on such devices and the location, identification, and elimination of optical surface impurities comprising, a focused and pulsed laser, an photo electric detector/imaging means, and a timer. The weak spots emit photoelectrons when subjected to laser intensities that are less than the intensity actually required to produce the damage. The weak spots may be eliminated by sustained exposure to the laser beam.

Manufacturing process used to produce long-acting recombinant factor VIII Fc fusion protein.

PubMed

McCue, Justin; Kshirsagar, Rashmi; Selvitelli, Keith; Lu, Qi; Zhang, Mingxuan; Mei, Baisong; Peters, Robert; Pierce, Glenn F; Dumont, Jennifer; Raso, Stephen; Reichert, Heidi

2015-07-01

Recombinant factor VIII Fc fusion protein (rFVIIIFc) is a long-acting coagulation factor approved for the treatment of hemophilia A. Here, the rFVIIIFc manufacturing process and results of studies evaluating product quality and the capacity of the process to remove potential impurities and viruses are described. This manufacturing process utilized readily transferable and scalable unit operations and employed multi-step purification and viral clearance processing, including a novel affinity chromatography adsorbent and a 15 nm pore size virus removal nanofilter. A cell line derived from human embryonic kidney (HEK) 293H cells was used to produce rFVIIIFc. Validation studies evaluated identity, purity, activity, and safety. Process-related impurity clearance and viral clearance spiking studies demonstrate robust and reproducible removal of impurities and viruses, with total viral clearance >8-15 log10 for four model viruses (xenotropic murine leukemia virus, mice minute virus, reovirus type 3, and suid herpes virus 1). Terminal galactose-α-1,3-galactose and N-glycolylneuraminic acid, two non-human glycans, were undetectable in rFVIIIFc. Biochemical and in vitro biological analyses confirmed the purity, activity, and consistency of rFVIIIFc. In conclusion, this manufacturing process produces a highly pure product free of viruses, impurities, and non-human glycan structures, with scale capabilities to ensure a consistent and adequate supply of rFVIIIFc. Copyright © 2015 Biogen. Published by Elsevier Ltd.. All rights reserved.

Investigation of emission properties of doped aromatic derivative organic semiconductor crystals

NASA Astrophysics Data System (ADS)

Stanculescu, A.; Mihut, L.; Stanculescu, F.; Alexandru, H.

2008-04-01

Fluorescence measurements have been made on pure and doped bulk, mechanically polished wafers of crystalline m-DNB and benzil obtained by cutting ingots grown by the Bridgman-Stockbarger method modified for organic compounds crystallization. By comparison with pure matrices, we have investigated the effect of an inorganic dopant (iodine, silver, sodium) and of an organic dopant (m-DNB, naphthalene) on the emission characteristics (position and shape) of these molecular crystals. A slight shift of the emission peaks through high energy and an intense emission peak situated around 2.35 eV correlated with the local trapping level attributed to structural defects, which are involved in radiative processes, have been evidenced in iodine-doped m-DNB. The emission peak of m-DNB-doped benzil situated in the high-energy range (2.97 eV) is associated with direct emission activity of m-DNB, suggesting that this is an active impurity in benzil molecular matrix. We have not observed in benzil any evidence of indirect action of the impurity molecules (atoms) associated with the traps represented by the structural defects that generate changes in the energy levels of the neighbouring molecules and are correlated with different growth conditions. We have not remarked any involvement of the studied inorganic metallic impurities and of some organic impurities, such as naphthalene, in the radiative recombination processes in benzil matrix.

Utilization of Photochemically Induced Fluorescence Detection for HPLC Determination of Genotoxic Impurities in the Vortioxetine Manufacturing Process.

PubMed

Douša, Michal; Doubský, Jan; Srbek, Jan

2016-07-01

An analytical reversed-phase high-performance liquid chromatography (HPLC) method for the detection and quantitative determination of two genotoxic impurities at ppm level present in the vortioxetine manufacturing process is described. Applying the concept of threshold of toxicological concern, a limit of 75 ppm each for both genotoxic impurities was calculated based on the maximum daily dose of active pharmaceutical ingredients. The novel reversed-phase HPLC method with photochemically induced fluorescence detection was developed on XSELECT Charged Surface Hybrid Phenyl-Hexyl column using the mobile phase consisted a mixture of 10 mM ammonium formate pH 3.0 and acetonitrile. The elution was performed using an isocratic composition of 48:52 (v/v) at a flow rate of 1.0 mL/min. The photochemically induced fluorescence detection is based on the use of UV irradiation at 254 nm through measuring the fluorescence intensity at 300 nm and an excitation wavelength of 272 nm to produce fluorescent derivatives of both genotoxic impurities. The online photochemical conversion and detection is easily accomplished for two expected genotoxic impurities and provides a sufficiently low limit detection and quantification for the target analysis. © The Author 2016. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Diffusive charge transport in graphene on SiO 2

NASA Astrophysics Data System (ADS)

Chen, J.-H.; Jang, C.; Ishigami, M.; Xiao, S.; Cullen, W. G.; Williams, E. D.; Fuhrer, M. S.

2009-07-01

We review our recent work on the physical mechanisms limiting the mobility of graphene on SiO 2. We have used intentional addition of charged scattering impurities and systematic variation of the dielectric environment to differentiate the effects of charged impurities and short-range scatterers. The results show that charged impurities indeed lead to a conductivity linear in density ( σ(n)∝n) in graphene, with a scattering magnitude that agrees quantitatively with theoretical estimates; increased dielectric screening reduces the scattering from charged impurities, but increases the scattering from short-range scatterers. We evaluate the effects of the corrugations (ripples) of graphene on SiO 2 on transport by measuring the height-height correlation function. The results show that the corrugations cannot mimic long-range (charged impurity) scattering effects, and have too small an amplitude-to-wavelength ratio to significantly affect the observed mobility via short-range scattering. Temperature-dependent measurements show that longitudinal acoustic phonons in graphene produce a resistivity that is linear in temperature and independent of carrier density; at higher temperatures, polar optical phonons of the SiO 2 substrate give rise to an activated, carrier density-dependent resistivity. Together the results paint a complete picture of charge carrier transport in graphene on SiO 2 in the diffusive regime.

Carbon-Nanotubes-Supported Pd Nanoparticles for Alcohol Oxidations in Fuel Cells: Effect of Number of Nanotube Walls on Activity.

PubMed

Zhang, Jin; Lu, Shanfu; Xiang, Yan; Shen, Pei Kang; Liu, Jian; Jiang, San Ping

2015-09-07

Carbon nanotubes (CNTs) are well known electrocatalyst supports due to their high electrical conductivity, structural stability, and high surface area. Here, we demonstrate that the number of inner tubes or walls of CNTs also have a significant promotion effect on the activity of supported Pd nanoparticles (NPs) for alcohol oxidation reactions of direct alcohol fuel cells (DAFCs). Pd NPs with similar particle size (2.1-2.8 nm) were uniformly assembled on CNTs with different number of walls. The results indicate that Pd NPs supported on triple-walled CNTs (TWNTs) have the highest mass activity and stability for methanol, ethanol, and ethylene glycol oxidation reactions, as compared to Pd NPs supported on single-walled and multi-walled CNTs. Such a specific promotion effect of TWNTs on the electrocatalytic activity of Pd NPs is not related to the contribution of metal impurities in CNTs, oxygen-functional groups of CNTs or surface area of CNTs and Pd NPs. A facile charge transfer mechanism via electron tunneling between the outer wall and inner tubes of CNTs under electrochemical driving force is proposed for the significant promotion effect of TWNTs for the alcohol oxidation reactions in alkaline solutions. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A new concept for a cryogenic amplifier stage

NASA Astrophysics Data System (ADS)

Fedl, V.; Barl, L.; Lutz, G.; Richter, R.; Strüder, L.

2010-12-01

The observation of astrophysical objects in the mid-infrared requires Blocked Impurity Band (BIB) detectors based on n-doped Silicon. It is desirable to observe faint astronomical objects with such a detector, which can be achieved with a high signal to noise ratio. These detectors operate at a temperature range from 6 to 12 K. We foresee a new detector concept for the readout of the generated signal charge. Our aim is to implement a Depleted P-channel Field Effect Transistor (DEPFET) Active Pixel Sensor (APS) on the BIB detector in order to have a high sensitivity. We successfully operated the DEPFET under cryogenic conditions and investigated the reset mechanism of the collected signal charge. We identified uncomplete clear with freeze-out of the signal charge into ionized shallow donor states in the heavily doped internal Gate of the DEPFET due to low thermal energy. Therefore, we found a solution to emit these localized signal charges into the conduction band in order to ensure the transport from the internal Gate to the Clear contact. It is possible to apply electric fields higher than 17 kV/cm at the position of the collected signal charge to emit the electrons from the shallow donor states. The electric field enhanced emission is equivalent to the tunneling effect.

A thermo-electric-driven flowing liquid lithium limiter/divertor for magnetic confined fusion

NASA Astrophysics Data System (ADS)

Ruzic, D. N.; Xu, Wenyu; Curreli, Davide; Andruczyk, Daniel; Mui, Travis

2012-10-01

The concept of using a liquid metal, especially liquid lithium, as the plasma facing surface may provide the best path forward toward reactor designs. A liquid PFC can effectively eliminate the erosion and thermal stress problems compared to the solid PFC while transferring heat and prolong the lifetime limit of the PFCs. A liquid lithium surface can also suppress the hydrogen isotopes recycling and getter the impurities in fusion reactor. The Lithium/metal infused trench (LiMIT) concept successfully proved that the thermoelectric effect can induce electric currents inside liquid lithium and an external magnetic field can drive liquid lithium to flow within metallic open trenches. IR camera and thermocouple measurements prove the strong heat transfer ability of this concept. A new flowing lithium system with active control of the temperature gradient inside the lithium trenches and back flow channels has been designed. TEMHD driven liquid lithium run steady state and pulsed for a few seconds of high heat flux (˜15MW/m^2) has been used to investigate the transient reaction of the flowing lithium. A similar tray is scheduled to be tested in HT-7, Hefei, China as a limiter in Sept. 2012. Related movies and analysis will be shown.

Neutron-activation analysis applied to copper ores and artifacts

NASA Technical Reports Server (NTRS)

Linder, N. F.

1970-01-01

Neutron activation analysis is used for quantitative identification of trace metals in copper. Establishing a unique fingerprint of impurities in Michigan copper would enable identification of artifacts made from this copper.

Light impurity transport in JET ILW L-mode plasmas

NASA Astrophysics Data System (ADS)

Bonanomi, N.; Mantica, P.; Giroud, C.; Angioni, C.; Manas, P.; Menmuir, S.; Contributors, JET

2018-03-01

A series of experimental observations of light impurity profiles was carried out in JET (Joint European Torus) ITER-like wall (ILW) L-mode plasmas in order to investigate their transport mechanisms. These discharges feature the presence of 3He, Be, C, N, Ne, whose profiles measured by active Charge Exchange diagnostics are compared with quasi-linear and non-linear gyro-kinetic simulations. The peaking of 3He density follows the electron density peaking, Be and Ne are also peaked, while the density profiles of C and N are flat in the mid plasma region. Gyro-kinetic simulations predict peaked density profiles for all the light impurities studied and at all the radial positions considered, and fail predicting the flat or hollow profiles observed for C and N at mid radius in our cases.

Effects of Pretreatment on the Electronic Properties of Plasma Enhanced Chemical Vapor Deposition Hetero-Epitaxial Graphene Devices

NASA Astrophysics Data System (ADS)

Zhang, Lian-Chang; Shi, Zhi-Wen; Yang, Rong; Huang, Jian

2014-09-01

Quasi-monolayer graphene is successfully grown by the plasma enhanced chemical vapor deposition heteroepitaxial method we reported previously. To measure its electrical properties, the prepared graphene is fabricated into Hall ball shaped devices by the routine micro-fabrication method. However, impurity molecules adsorbed onto the graphene surface will impose considerable doping effects on the one-atom-thick film material. Our experiment demonstrates that pretreatment of the device by heat radiation baking and electrical annealing can dramatically influence the doping state of the graphene and consequently modify the electrical properties. While graphene in the as-fabricated device is highly p-doped, as confirmed by the position of the Dirac point at far more than +60 V, baking treatment at temperatures around 180°C can significantly lower the doping level and reduce the conductivity. The following electrical annealing is much more efficient to desorb the extrinsic molecules, as confirmed by the in situ measurement, and as a result, further modify the doping state and electrical properties of the graphene, causing a considerable drop of the conductivity and a shifting of Dirac point from beyond +60 V to 0 V.

The effect of iron and copper impurities on the wettability of sphalerite (110) surface.

PubMed

Simpson, Darren J; Bredow, Thomas; Chandra, Anand P; Cavallaro, Giuseppe P; Gerson, Andrea R

2011-07-15

The effect of impurities in the zinc sulfide mineral sphalerite on surface wettability has been investigated theoretically to shed light on previously reported conflicting results on sphalerite flotation. The effect of iron and copper impurities on the sphalerite (110) surface energy and on the water adsorption energy was calculated with the semi-empirical method modified symmetrically orthogonalized intermediate neglect of differential overlap (MSINDO) using the cyclic cluster model. The effect of impurities or dopants on surface energies is small but significant. The surface energy increases with increasing surface iron concentration while the opposite effect is reported for increasing copper concentration. The effect on adsorption energies is much more pronounced with water clearly preferring to adsorb on an iron site followed by a zinc site, and copper site least favorable. The theoretical results indicate that a sphalerite (110) surface containing iron is more hydrophilic than the undoped zinc sulfide surface. In agreement with the literature, the surface containing copper (either naturally or by activation) is more hydrophobic than the undoped surface. Copyright © 2011 Wiley Periodicals, Inc.

Quantitative determination of salbutamol sulfate impurities using achiral supercritical fluid chromatography.

PubMed

Dispas, Amandine; Desfontaine, Vincent; Andri, Bertyl; Lebrun, Pierre; Kotoni, Dorina; Clarke, Adrian; Guillarme, Davy; Hubert, Philippe

2017-02-05

In the last years, supercritical fluid chromatography has largely been acknowledged as a singular and performing technique in the field of separation sciences. Recent studies highlighted the interest of SFC for the quality control of pharmaceuticals, especially in the case of the determination of the active pharmaceutical ingredient (API). Nevertheless, quality control requires also the determination of impurities. The objectives of the present work were to (i) demonstrate the interest of SFC as a reference technique for the determination of impurities in salbutamol sulfate API and (ii) to propose an alternative to a reference HPLC method from the European Pharmacopeia (EP) involving ion-pairing reagent. Firstly, a screening was carried out to select the most adequate and selective stationary phase. Secondly, in the context of robust optimization strategy, the method was developed using design space methodology. The separation of salbutamol sulfate and related impurities was achieved in 7min, which is seven times faster than the LC-UV method proposed by European Pharmacopeia (total run time of 50min). Finally, full validation using accuracy profile approach was successfully achieved for the determination of impurities B, D, F and G in salbutamol sulfate raw material. The validated dosing range covered 50 to 150% of the targeted concentration (corresponding to 0.3% concentration level), LODs close to 0.5μg/mL were estimated. The SFC method proposed in this study could be presented as a suitable fast alternative to EP LC method for the quantitative determination of salbutamol impurities. Copyright © 2016 Elsevier B.V. All rights reserved.

Tunable charge donation and spin polarization of metal adsorbates on graphene using an applied electric field

NASA Astrophysics Data System (ADS)

Parq, Jae-Hyeon; Yu, Jaejun; Kwon, Young-Kyun; Kim, Gunn

2010-11-01

Metal atoms on graphene, when ionized, can act as a point-charge impurity to probe a charge response of graphene with the Dirac cone band structure. To understand the microscopic physics of the metal-atom-induced charge and spin polarization in graphene, we present scanning tunneling spectroscopy (STS) simulations based on density-functional theory calculations. We find that a Cs atom on graphene is fully ionized with a significant band-bending feature in the STS whereas the charge and magnetic states of Ba and La atoms on graphene appear to be complicated due to orbital hybridization and Coulomb interaction. By applying external electric field, we observe changes in charge donations and spin magnetic moments of the metal adsorbates on graphene.

Genotoxicity of 2-bromo-3′-chloropropiophenone

DOE Office of Scientific and Technical Information (OSTI.GOV)

Meng, Fanxue; Yan, Jian; Li, Yan

2013-07-15

Impurities are present in any drug substance or drug product. They can be process-related impurities that are not completely removed during purification or are formed due to the degradation of the drug substance over the product shelf-life. Unlike the drug substance, impurities generally do not have beneficial effects and may present a risk without associated benefit. Therefore, their amount should be minimized. 2-Bromo-3′-chloropropiophenone (BCP) is an impurity of bupropion, a second-generation antidepressant and a smoking cessation aid. The United States Pharmacopeia recommends an acceptable level for BCP that is not more than 0.1% of the bupropion. Because exposure to genotoxicmore » impurities even at low levels is of significant concern, it is important to determine whether or not BCP is genotoxic. Therefore, in this study the Ames test and the in vitro micronucleus assay were conducted to evaluate the genotoxicity of BCP. BCP was mutagenic with S9 metabolic activation, increasing the mutant frequencies in a concentration-dependent manner, up to 22- and 145-fold induction over the controls in Salmonella strains TA100 and TA1535, respectively. BCP was also positive in the in vitro micronucleus assay, resulting in up to 3.3- and 5.1-fold increase of micronucleus frequency for treatments in the absence and presence of S9, respectively; and 9.9- and 7.4-fold increase of aneuploidies without and with S9, respectively. The addition of N-acetyl-L-cysteine, an antioxidant, reduced the genotoxicity of BCP in both assays. Further studies showed that BCP treatment resulted in induction of reactive oxygen species (ROS) in the TK6 cells. The results suggest that BCP is mutagenic, clastogenic, and aneugenic, and that these activities are mediated via generation of reactive metabolites. - Highlights: • 2-Bromo-3′-chloropropiophenone is an impurity of bupropion. • BCP was positive in both the Ames test and the in vitro micronucleus assay. • It induced high frequencies of mutations, micronuclei and hypodiploids. • It induced ROS and addition of NAC blocked the genotoxicity of BCP. • Its genotoxic action is possibly mediated via generation of reactive metabolites.« less

Fluorescence metrology used for analytics of high-quality optical materials

NASA Astrophysics Data System (ADS)

Engel, Axel; Haspel, Rainer; Rupertus, Volker

2004-09-01

Optical, glass ceramics and crystals are used for various specialized applications in telecommunication, biomedical, optical, and micro lithography technology. In order to qualify and control the material quality during the research and production processes several specialized ultra trace analytisis methods have to be appliedcs Schott Glas is applied. One focus of our the activities is the determination of impurities ranging in the sub ppb-regime, because such kind of impurity level is required e.g. for pure materials used for microlithography for example. Common analytical techniques for these impurity levels areSuch impurities are determined using analytical methods like LA ICP-MS and or Neutron Activation Analysis for example. On the other hand direct and non-destructive optical analysistic becomes is attractive because it visualizes the requirement of the optical applications additionally. Typical eExamples are absorption and laser resistivity measurements of optical material with optical methods like precision spectral photometers and or in-situ transmission measurements by means ofusing lamps and or UV lasers. Analytical methods have the drawback that they are time consuming and rather expensive, whereas the sensitivity for the absorption method will not be sufficient to characterize the future needs (coefficient much below 10-3 cm-1). For a non-destructive qualification for the current and future quality requirements a Jobin Yvon FLUOROLOG 3.22 fluorescence spectrometery is employed to enable fast and precise qualification and analysis. The main advantage of this setup is the combination of highest sensitivity (more than one order of magnitude higher sensitivity than state of the art UV absorption spectroscopy), fast measurement and evaluation cycles (several minutes compared to several hours necessary for chemical analystics). An overview is given for spectral characteristics using specified standards, which are necessary to establish the analytical system. The elementary fluorescence and absorption of rare earth element impurities as well as crystal defects induced luminescence originated by impurities was investigated. Quantitative numbers are given for the relative quantum yield as well as for the excitation cross section for doped glass and calcium fluoride.

Growth of CdZnTe Crystals for Radiation Detector Applications by Directional Solidification

NASA Technical Reports Server (NTRS)

Su, Ching-Hua

2014-01-01

Advances in Cadmium Zinc Telluride (Cd(sub 1-x)Zn(sub x)Te) growth techniques are needed for the production of large-scale arrays of gamma and x-ray astronomy. The research objective is to develop crystal growth recipes and techniques to obtain large, high quality CdZnTe single crystal with reduced defects, such as charge trapping, twinning, and tellurium precipitates, which degrade the performance of CdZnTe and, at the same time, to increase the yield of usable material from the CdZnTe ingot. A low gravity material experiment, "Crystal Growth of Ternary Compound Semiconductors in Low Gravity Environment", will be performed in the Material Science Research Rack (MSRR) on International Space Station (ISS). One section of the flight experiment is the melt growth of CdZnTe ternary compounds. This talk will focus on the ground-based studies on the growth of Cd(sub 0.80)Zn(sub 0.20)Te crystals for radiation detector applications by directional solidification. In this investigation, we have improved the properties that are most critical for the detector applications (electrical properties and crystalline quality): a) Electrical resistivity: use high purity starting materials (with reproducible impurity levels) and controlled Cd over pressure during growth to reproducibly balance the impurity levels and Cd vacancy concentration b) Crystalline quality: use ultra-clean growth ampoule (no wetting after growth), optimized thermal profile and ampoule design, as well as a technique for supercool reduction to growth large single crystal with high crystalline quality

B12P2: Improved epitaxial growth and evaluation of a irradiation on its electrical transport properties

NASA Astrophysics Data System (ADS)

Frye, Clint D.

The wide bandgap (3.35 eV) semiconductor icosahedral boron phosphide (B12P2) has been reported to self-heal from radiation damage from ? particles (electrons) with energies up to 400 keV by demonstrating no lattice damage using transmission electron microscopy. This property could be exploited to create radioisotope batteries-semiconductor devices that directly convert the decay energy from a radioisotope to electricity. Such devices potentially have enormous power densities and decades-long lifetimes. To date, the radiation hardness of B12P2 has not been characterized by electrical measurements nor have B12P2 radioisotope batteries been realized. Therefore, this study was undertaken to evaluate the radiation hardness of B12P2 after improving its epitaxial growth, developing ohmic electrical contacts, and reducing the residual impurities. Subsequently, the effects of radiation from a radioisotope on the electrical transport properties of B12P2 were tested. B12P2 was grown epitaxially on 4H-SiC by chemical vapor deposition (CVD) over the temperature range of 1250-1450 °C using B2H6 and PH3 precursor gases in a H 2 carrier gas. The epitaxial relationship between B12P 2 and 4HSiC was (0001)B12P2[1?100]B12P 2 ||(0001)4H-SiC[1?100]4H-SiC using hexagonal indices (or (111)B 12P2[1?21]B12P2 ||(0001)4H-SiC[1?100]4H-SiC using rhombohedral indices for B12P2). X-ray diffraction (XRD) rocking curve measurements (assessing the crystal quality) about the B12P2 (0003) peak were minimized at 1300 °C indicating it was the optimum growth temperature studied. By miscutting the (0001) 4H-SiC substrate 4° to the (1100) plane, B12P 2 rotational twinning, a type of crystal defect, was strongly suppressed to a twin density of <1% in comparison to a standard miscut to the (11 20) plane which resulted in a twin density of 30%. Cr/Pt (500/1000 A) and Ni/Au (1000/1000 A) ohmic contacts to B12P2 were developed. Ni/Au contacts annealed at 500 °C for 30 s in Ar proved to be the best contact studied with a specific contact resistance of 3x10-4 O-cm 2. Background impurities were measured by secondary ion mass spectrometry (SIMS), and Si (≈1x1019-5x1019 cm-3), C (≈5x1019-2x10 20 cm-3), and O (≈2x1020 cm-3) were the primary residual impurities when B 12P2 was grown on 4H-SiC at 1250 °C. The SiC substrate caused Si and C contamination, and the TaC-coated graphite heating element was a second C source. Since Si and C are p-type dopants in B 12P2 (confirmed by Hall Effect measurements), the 4H-SiC substrate was exchanged with AlN/sapphire, and the TaC-coated graphite susceptor was replaced with Zr metal. With the new substrate and susceptor, the Si and C concentrations were decreased to 2-3x1018 cm -3 and 4x1018 cm-3, respectively. The radiation hardness of p-B12P 2 grown on AlN/sapphire was compared to an epi-layer of p-4H-SiC (a conventional radiation hard material) by temperature-dependent Hall Effect measurements. A defect band was present in B12P2 prior to irradiation, and radiation further contributed to defect band conduction and lowered the hole mobility. Evidence for self-healing of B12P 2 from electrical measurements remains inconclusive. However, the steps necessary to evaluate B12P2 for device applications has been clarified, and includes further reductions in crystalline defects and residual impurities, especially carbon and oxygen. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344, LLNLABS- 706086.

Multiscale three-dimensional simulations of charge gain and transport in diamond

NASA Astrophysics Data System (ADS)

Dimitrov, D. A.; Busby, R.; Cary, J. R.; Ben-Zvi, I.; Rao, T.; Smedley, J.; Chang, X.; Keister, J. W.; Wu, Q.; Muller, E.

2010-10-01

A promising new concept of a diamond-amplified photocathode for generation of high-current, high-brightness, and low thermal emittance electron beams was recently proposed and is currently under active development. Detailed understanding of physical processes with multiple energy and time scales is required to design reliable and efficient diamond-amplifier cathodes. We have implemented models, within the VORPAL computational framework, to simulate secondary electron generation and charge transport in diamond in order to facilitate the investigation of the relevant effects involved. The models include inelastic scattering of electrons and holes for generation of electron-hole pairs, elastic, phonon, and charge impurity scattering. We describe the integrated modeling capabilities we developed and present results on charge gain and collection efficiency as a function of primary electron energy and applied electric field. We compare simulation results with available experimental data. The simulations show an overall qualitative agreement with the observed charge gain from transmission mode experiments and have enabled better understanding of the collection efficiency measurements.

Doped silicon nanocrystals from organic dopant precursor by a SiCl4-based high frequency nonthermal plasma

NASA Astrophysics Data System (ADS)

Zhou, Shu; Ding, Yi; Pi, Xiaodong; Nozaki, Tomohiro

2014-11-01

Doped silicon nanocrystals (Si NCs) are of great interest in demanding low-cost nanodevices because of the abundance and nontoxicity of Si. Here, we demonstrate a cost-effective gas phase approach to synthesize phosphorous (P)-doped Si NCs in which the precursors used, i.e., SiCl4, trimethyl phosphite (TMP), are both safe and economical. It is found that the TMP-enabled P-doping does not change the crystalline structure of Si NCs. The surface of P-doped Si NCs is terminated by both Cl and H. The Si-H bond density at the surface of P-doped Si NCs is found to be much higher than that of undoped Si NCs. The X-ray photoelectron spectroscopy and electron spin resonance results indicate that P atoms are doped into the substitutional sites of the Si-NC core and electrically active in Si NCs. Unintentional impurities, such as carbon contained in TMP, are not introduced into Si NCs.

Boron-doped diamond synthesized at high-pressure and high-temperature with metal catalyst

NASA Astrophysics Data System (ADS)

Shakhov, Fedor M.; Abyzov, Andrey M.; Kidalov, Sergey V.; Krasilin, Andrei A.; Lähderanta, Erkki; Lebedev, Vasiliy T.; Shamshur, Dmitriy V.; Takai, Kazuyuki

2017-04-01

The boron-doped diamond (BDD) powder consisting of 40-100 μm particles was synthesized at 5 GPa and 1500-1600 °C from a mixture of 50 wt% graphite and 50 wt% Ni-Mn catalyst with an addition of 1 wt% or 5 wt% boron powder. The size of crystal domains of doped and non-doped diamond was evaluated as a coherent scattering region by X-ray diffraction (XRD) and using small-angle neutron scattering (SANS), being ≥180 nm (XRD) and 100 nm (SANS). Magnetic impurities of NiMnx originating from the catalyst in the synthesis, which prevent superconductivity, were detected by magnetization measurements at 2-300 K. X-ray photoelectron spectroscopy, the temperature dependence of the resistivity, XRD, and Raman spectroscopy reveal that the concentration of electrically active boron is as high as (2±1)×1020 cm-3 (0.1 at%). To the best of our knowledge, this is the highest boron content for BDD synthesized in high-pressure high-temperature process with metal catalysts.

Isolated oxygen defects in 3C- and 4H-SiC: A theoretical study

NASA Astrophysics Data System (ADS)

Gali, A.; Heringer, D.; Deák, P.; Hajnal, Z.; Frauenheim, Th.; Devaty, R. P.; Choyke, W. J.

2002-09-01

Ab initio calculations in the local-density approximation have been carried out in SiC to determine the possible configurations of the isolated oxygen impurity. Equilibrium geometry and occupation levels were calculated. Substitutional oxygen in 3C-SiC is a relatively shallow effective mass like double donor on the carbon site (OC) and a hyperdeep double donor on the Si site (OSi). In 4H-SiC OC is still a double donor but with a more localized electron state. In 3C-SiC OC is substantially more stable under any condition than OSi or interstitial oxygen (Oi). In 4H-SiC OC is also the most stable one except for heavy n-type doping. We propose that OC is at the core of the electrically active oxygen-related defect family found by deep level transient spectroscopy in 4H-SiC. The consequences of the site preference of oxygen on the SiC/SiO2 interface are discussed.

A fast and simple dose-calibrator-based quality control test for the radionuclidic purity of cyclotron-produced (99m)Tc.

PubMed

Tanguay, J; Hou, X; Esquinas, P; Vuckovic, M; Buckley, K; Schaffer, P; Bénard, F; Ruth, T J; Celler, A

2015-11-07

Cyclotron production of 99mTc through the (100)Mo(p,2n)99mTc reaction channel is actively being investigated as an alternative to reactor-based (99)Mo generation by nuclear fission of (235)U. Like most radioisotope production methods, cyclotron production of 99mTc will result in creation of unwanted impurities, including Tc and non-Tc isotopes. It is important to measure the amounts of these impurities for release of cyclotron-produced 99mTc (CPTc) for clinical use. Detection of radioactive impurities will rely on measurements of their gamma (γ) emissions. Gamma spectroscopy is not suitable for this purpose because the overwhelming presence of 99mTc and the count-rate limitations of γ spectroscopy systems preclude fast and accurate measurement of small amounts of impurities. In this article we describe a simple and fast method for measuring γ emission rates from radioactive impurities in CPTc. The proposed method is similar to that used to identify (99)Mo breakthrough in generator-produced 99mTc: one dose calibrator (DC) reading of a CPTc source placed in a lead shield is followed by a second reading of the same source in air. Our experimental and theoretical analysis show that the ratio of DC readings in lead to those in air are linearly related to γ emission rates from impurities per MBq of 99mTc over a large range of clinically-relevant production conditions. We show that estimates of the γ emission rates from Tc impurities per MBq of 99mTc can be used to estimate increases in radiation dose (relative to pure 99mTc) to patients injected with CPTc-based radiopharmaceuticals. This enables establishing dosimetry-based clinical-release criteria that can be tested using commercially-available dose calibrators. We show that our approach is highly sensitive to the presence of 93gTc, 93mTc, 94gTc, 94mTc, 95mTc, 95gTc, and 96gTc, in addition to a number of non-Tc impurities.

A fast and simple dose-calibrator-based quality control test for the radionuclidic purity of cyclotron-produced 99mTc

NASA Astrophysics Data System (ADS)

Tanguay, J.; Hou, X.; Esquinas, P.; Vuckovic, M.; Buckley, K.; Schaffer, P.; Bénard, F.; Ruth, T. J.; Celler, A.

2015-11-01

Cyclotron production of {{}99\\text{m}} Tc through the 100Mo(p,2n){{}99\\text{m}} Tc reaction channel is actively being investigated as an alternative to reactor-based 99Mo generation by nuclear fission of 235U. Like most radioisotope production methods, cyclotron production of {{}99\\text{m}} Tc will result in creation of unwanted impurities, including Tc and non-Tc isotopes. It is important to measure the amounts of these impurities for release of cyclotron-produced {{}99\\text{m}} Tc (CPTc) for clinical use. Detection of radioactive impurities will rely on measurements of their gamma (γ) emissions. Gamma spectroscopy is not suitable for this purpose because the overwhelming presence of {{}99\\text{m}} Tc and the count-rate limitations of γ spectroscopy systems preclude fast and accurate measurement of small amounts of impurities. In this article we describe a simple and fast method for measuring γ emission rates from radioactive impurities in CPTc. The proposed method is similar to that used to identify 99Mo breakthrough in generator-produced {{}99\\text{m}} Tc: one dose calibrator (DC) reading of a CPTc source placed in a lead shield is followed by a second reading of the same source in air. Our experimental and theoretical analysis show that the ratio of DC readings in lead to those in air are linearly related to γ emission rates from impurities per MBq of {{}99\\text{m}} Tc over a large range of clinically-relevant production conditions. We show that estimates of the γ emission rates from Tc impurities per MBq of {{}99\\text{m}} Tc can be used to estimate increases in radiation dose (relative to pure {{}99\\text{m}} Tc) to patients injected with CPTc-based radiopharmaceuticals. This enables establishing dosimetry-based clinical-release criteria that can be tested using commercially-available dose calibrators. We show that our approach is highly sensitive to the presence of {{}93\\text{g}} Tc, {{}93\\text{m}} Tc, {{}94\\text{g}} Tc, {{}94\\text{m}} Tc, {{}95\\text{m}} Tc, {{}95\\text{g}} Tc, and {{}96\\text{g}} Tc, in addition to a number of non-Tc impurities.

Blocked impurity band hybrid infrared focal plane arrays for astronomy

NASA Technical Reports Server (NTRS)

Reynolds, D. B.; Seib, D. H.; Stetson, S. B.; Herter, T.; Rowlands, N.

1989-01-01

High-performance infrared hybrid focal plane arrays using 10- x 50-element Si:As blocked-impurity-band (BIB) detectors (cutoff wavelength = 28 microns) and matching switched MOSFET multiplexers have been developed and characterized for space astronomy. Use of impurity-band-conduction technology provides detectors which are nuclear-radiation-hard and free of the many anomalies associated with conventional silicon photoconductive detectors. Emphasis in the present work is on recent advances in detector material quality which have led to significantly improved detector and hybrid characteristics. Results demonstrating increased quantum efficiency (particularly at short-wavelength infrared), obtained by varying the BIB detector properties (infrared active layer thickness and arsenic doping profile), are summarized. Measured read noise and dark current for different temperatures are reported. The hybrid array performance achieved demonstrates that BIB detectors are well suited for use in astronomical instrumentation.

Profiling extractable and leachable inorganic impurities in ophthalmic drug containers by ICP-MS.

PubMed

Solomon, Paige; Nelson, Jenny

2018-03-01

In this study, we investigated the elemental impurities present in the plastic material of ophthalmic eye drop bottles using inductively coupled plasma-mass spectrometry (ICP-MS). Metallic contaminations, especially localized within the small cavity of the eye, can significantly perturb the ocular metallome. The concern is two-fold: first certain elements, for example heavy metals, can be toxic to humans at even trace levels, and second, these contaminations can have adverse reactions with other medicines or enzymatic processes in the eye. The implication of redox-active metals in cataract formation is one such biological consequence. The analysis demonstrated the effect of aggressive storage and transportation conditions on elemental extractable and leachable contamination, and posits that release of these elemental impurities can disrupt metallome equilibrium in the ocular compartment, leading to toxicity and disease.

Electrical properties of Pb{sub 1-x}Mn{sub x}Te single crystals with an excess of tellurium

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bagieva, G. Z., E-mail: bagieva-gjulandam@rambler.ru; Abdinova, G. D.; Mustafayev, N. B.

2013-03-15

The effect of excess Te atoms (as high as 0.5 at %) and thermal treatment at 473 K for 120 h on the electrical conductivity {sigma}, the thermopower coefficient {alpha}, and the Hall coefficient R of Pb{sub 0.96}Mn{sub 0.04}Te single crystals in the temperature range {approx}77-300 K is investigated. It is shown that excess atoms of tellurium predominantly act as acceptor impurity centers at low concentrations in unannealed samples and form antisite defects at relatively high concentrations (0.05 at % or higher) being located mainly in vacancies of the lead sublattice, and decrease the hole concentration. As a result ofmore » annealing, certain lattice defects (for example, deformational) are healed, and the accommodation process for Te atoms at lead-sublattice vacancies is intensified. These processes substantially affect the values of the electrical parameters, their temperature dependences, as well as the sign of the thermopower and Hall coefficients of the samples.« less

Direct Electrical Probing of Periodic Modulation of Zinc-Dopant Distributions in Planar Gallium Arsenide Nanowires.

PubMed

Choi, Wonsik; Seabron, Eric; Mohseni, Parsian K; Kim, Jeong Dong; Gokus, Tobias; Cernescu, Adrian; Pochet, Pascal; Johnson, Harley T; Wilson, William L; Li, Xiuling

2017-02-28

Selective lateral epitaxial (SLE) semiconductor nanowires (NWs), with their perfect in-plane epitaxial alignment, ability to form lateral complex p-n junctions in situ, and compatibility with planar processing, are a distinctive platform for next-generation device development. However, the incorporation and distribution of impurity dopants in these planar NWs via the vapor-liquid-solid growth mechanism remain relatively unexplored. Here, we present a detailed study of SLE planar GaAs NWs containing multiple alternating axial segments doped with Si and Zn impurities by metalorganic chemical vapor deposition. The dopant profile of the lateral multi-p-n junction GaAs NWs was imaged simultaneously with nanowire topography using scanning microwave impedance microscopy and correlated with infrared scattering-type near-field optical microscopy. Our results provide unambiguous evidence that Zn dopants in the periodically twinned and topologically corrugated p-type segments are preferentially segregated at twin plane boundaries, while Si impurity atoms are uniformly distributed within the n-type segments of the NWs. These results are further supported by microwave impedance modulation microscopy. The density functional theory based modeling shows that the presence of Zn dopant atoms reduces the formation energy of these twin planes, and the effect becomes significantly stronger with a slight increase of Zn concentration. This implies that the twin formation is expected to appear when a threshold planar concentration of Zn is achieved, making the onset and twin periodicity dependent on both Zn concentration and nanowire diameter, in perfect agreement with our experimental observations.

Physical Property Evaluation of ZnO Thin Film Fabricated by Low-Temperature Process for Flexible Transparent TFT.

PubMed

Khafe, Adie Bin Mohd; Watanabe, Hiraku; Yamauchi, Hiroshi; Kuniyoshi, Shigekazu; Iizuka, Masaaki; Sakai, Masatoshi; Kudo, Kazuhiro

2016-04-01

The usual silicon-based display back planes require fairly high process temperature and thus the development of a low temperature process is needed on flexible plastic substrates. A new type of flexible organic light emitting transistor (OLET) had been proposed and investigated in the previous work. By using ultraviolet/ozone (UV/O3) assisted thermal treatments on wet processed zinc oxide field effect transistor (ZnO-FET), through low-process temperature, ZnO-FETs were fabricated which succeeded to achieve target drain current value and mobility. In this study, physical property evaluation of ZnO was conducted in term of their crystallinity, the increase composition of ZnO formed inside the thin film and the decrease of the carbon impurities originated from aqueous solution of the ZnO itself. The X-ray diffraction (XRD) evaluation showed UV/03 assisted thermal treatment has no obvious effect towards crystallinity of ZnO in the range of low process temperature. Moreover, through X-ray photoelectron spectroscopy (XPS) evaluation and Fourier transform infrared (FT-IR) spectroscopy evaluation, more carbon impurities disappeared from the ZnO thin film and the increase of composition amount of ZnO, when the thin film was subjected to UV/O3 assisted thermal treatment. Therefore, UV/O3 assisted thermal treatment contributed in carbon impurities elimination and accelerate ZnO formation in ZnO thin film, which led to the improvement in the electrical property of ZnO-FET in the low-process temperature.

Improved kinetic neoclassical transport calculation for a low-collisionality QH-mode pedestal

DOE Office of Scientific and Technical Information (OSTI.GOV)

Battaglia, D. J.; Burrell, K. H.; Chang, C. S.

The role of neoclassical, anomalous and neutral transport to the overall H-mode pedestal and scrape-off layer (SOL) structure in an ELM-free QH-mode discharge on DIII-D is explored using XGC0, a 5D full-f multi-species particle-in-cell drift-kinetic solver with self-consistent neutral recycling and sheath potentials. The work in this paper builds on previous work aimed at achieving quantitative agreement between the flux-driven simulation and the experimental electron density, impurity density and orthogonal measurements of impurity temperature and flow profiles. Improved quantitative agreement is achieved by performing the calculations with a more realistic electron mass, larger neutral density and including finite-Larmor-radius corrections self-consistentlymore » in the drift-kinetic motion of the particles. Consequently, the simulations provide stronger evidence that the radial electric field (E r) in the pedestal is primarily established by the required balance between the loss of high-energy tail main ions against a pinch of colder main ions and impurities. The kinetic loss of a small population of ions carrying a large proportion of energy and momentum leads to a separation of the particle and energy transport rates and introduces a source of intrinsic edge torque. Ion orbit loss and finite orbit width effects drive the energy distributions away from Maxwellian, and describe the anisotropy, poloidal asymmetry and local minimum near the separatrix observed in the T i profile.« less

Improved kinetic neoclassical transport calculation for a low-collisionality QH-mode pedestal

DOE PAGES

Battaglia, D. J.; Burrell, K. H.; Chang, C. S.; ...

2016-07-15

The role of neoclassical, anomalous and neutral transport to the overall H-mode pedestal and scrape-off layer (SOL) structure in an ELM-free QH-mode discharge on DIII-D is explored using XGC0, a 5D full-f multi-species particle-in-cell drift-kinetic solver with self-consistent neutral recycling and sheath potentials. The work in this paper builds on previous work aimed at achieving quantitative agreement between the flux-driven simulation and the experimental electron density, impurity density and orthogonal measurements of impurity temperature and flow profiles. Improved quantitative agreement is achieved by performing the calculations with a more realistic electron mass, larger neutral density and including finite-Larmor-radius corrections self-consistentlymore » in the drift-kinetic motion of the particles. Consequently, the simulations provide stronger evidence that the radial electric field (E r) in the pedestal is primarily established by the required balance between the loss of high-energy tail main ions against a pinch of colder main ions and impurities. The kinetic loss of a small population of ions carrying a large proportion of energy and momentum leads to a separation of the particle and energy transport rates and introduces a source of intrinsic edge torque. Ion orbit loss and finite orbit width effects drive the energy distributions away from Maxwellian, and describe the anisotropy, poloidal asymmetry and local minimum near the separatrix observed in the T i profile.« less

On the tin impurity in the thermoelectric compound ZnSb: Charge-carrier generation and compensation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Prokofieva, L. V., E-mail: lprokofieva496@gmail.com; Konstantinov, P. P.; Shabaldin, A. A.

2016-06-15

The technique for measuring the Hall coefficient and electrical conductivity in the thermal cycling mode is used to study the effect of the Sn impurity on the microstructure and properties of pressed ZnSb samples. Tin was introduced as an excess component (0.1 and 0.2 at %) and as a substitutional impurity for Zn and Sb atoms in a concentration of (2–2.5) at % The temperature dependences of the parameters of lightly doped samples are fundamentally like similar curves for ZnSb with 0.1 at % of Cu. The highest Hall concentration, 1.4 × 10{sup 19} cm{sup –3} at 300 K, ismore » obtained upon the introduction of 0.1 at % of Sn; the dimensionless thermoelectric figure of merit attains its maximum value of 0.85 at 660 K. The experimental data are discussed under the assumption of two doping mechanisms, which are effective in different temperature ranges, with zinc vacancies playing the decisive role of acceptor centers. In two ZnSb samples with SnSb and ZnSn additives, the charge-carrier compensation effect is observed; this effect depends on temperature and markedly changes with doping type. As in p-type A{sup IV}–B{sup VI} materials with a low Sn content, hole compensation can be attributed to atomic recharging Sn{sup 2+} → Sn{sup 4+}. Types of compensating complexes are considered.« less

Numerical simulations of dielectric barrier discharges

NASA Astrophysics Data System (ADS)

Martens, Tom

A plasma or gas discharge is a state of matter which can be described as a gas containing ionized atoms and molecules. This ionized gas exhibits a collective behaviour under influence of an electric or a magnetic field, which are responsible for unique properties which make all new kinds of technology possible. The most important motivation behind the research is finding more efficient ways to produce a low-temperature plasma. In order to achieve this different reactor geometries are studied, it is investigated which is the most suitable power source and the influence of small contaminations of the operating gas is assessed. The studied plasmas are mainly operated at atmospheric pressure. Working at this pressure is cheaper and it makes it possible to develop assembly line treatments. Such plasmas are most easily generated in very small geometries, although energetic derailment of the discharge becomes a substantial risk. This is avoided when the electrodes are electrically insulated. In such setup the insulators accumulate charges which compensate the governing electric field, which keeps the energy transfer to the discharge limited. By studying these discharges using computer models, the changes in the plasma chemistry in time and also under the influence of different levels of impurities were characterized in great detail. Moreover, it was also determined how these chemical changes determine the electrical characteristics of the plasma. Finally, the insights in the charging and discharging effects of the insulators were used to make predictions on which type of power source is the most efficient in using the potential energy stored on the insulator surface to generate the plasma. The most important conclusions are that molecular impurities of the order of only one part per million already dominate the ionic particle distributions in the plasma and that a well-designed alteration in the applied voltage profile leads to a plasma generation with a more than three times more efficient use of consumed energy. This way the research contributes to the insight in the operation and forms the base for new and improved applications and technologies.

Neutron activation analysis traces copper artifacts to geographical point of origin

NASA Technical Reports Server (NTRS)

Conway, M.; Fields, P.; Friedman, A.; Kastner, M.; Metta, D.; Milsted, J.; Olsen, E.

1967-01-01

Impurities remaining in the metallic copper are identified and quantified by spectrographic and neutron activation analysis. Determination of the type of ore used for the copper artifact places the geographic point of origin of the artifact.

Capacitance of graphenes

NASA Astrophysics Data System (ADS)

Young, Andrea; Dean, Cory; Meric, Inanc; Hone, Jim; Shepard, Ken; Kim, Philip

2010-03-01

Using a transfer procedure and single crystal hexagonal Boron Nitride gate dielectric, we are able to fabricate high mobility graphene devices with local top and back gates. The novel geometry of these devices allows us to measure the spatially averaged compressibility of mono- and bilayer graphene using the ``penetration field'' technique [Eisenstein, J.P. et al. Phys. Rev. Lett. 68, 674 (1992)]. In particular, we analyze the the effects of strong transverse electric fields on the compressibility of graphenes, especially as pertains to charged impurity scattering in single layer graphene and the opening of an energy gap in bilayer.

Effective Viscosity of Liquid Helium4 - With Minute He3 Impurity at Temperatures from 0.05K to 2K and at Velocities Spanning the Critical Velocities.

DTIC Science & Technology

1981-03-01

meticulous and well thought out designs and work brought excellent solutions to our many electrical and mechanical problems. He is a gifted person with many...thorough study of the gyro design , as well as other low temperature sensors, is now called for. 1.4 Low Temperature Inertial Sensors The precision of...can only begin to imagine some of the forms that low temperature inertial sensors could take in the hands of creative design and development engineers

Diffusion in plasma: The Hall effect, compositional waves, and chemical spots

DOE Office of Scientific and Technical Information (OSTI.GOV)

Urpin, V., E-mail: Vadim.urpin@uv.es

2017-03-15

Diffusion caused by a combined influence of the electric current and Hall effect is considered, and it is argued that such diffusion can form inhomogeneities of a chemical composition in plasma. The considered mechanism can be responsible for the formation of element spots in laboratory and astrophysical plasmas. This current-driven diffusion can be accompanied by propagation of a particular type of waves in which the impurity number density oscillates alone. These compositional waves exist if the magnetic pressure in plasma is much greater than the gas pressure.

Microscopic theory of cation exchange in CdSe nanocrystals.

PubMed

Ott, Florian D; Spiegel, Leo L; Norris, David J; Erwin, Steven C

2014-10-10

Although poorly understood, cation-exchange reactions are increasingly used to dope or transform colloidal semiconductor nanocrystals (quantum dots). We use density-functional theory and kinetic Monte Carlo simulations to develop a microscopic theory that explains structural, optical, and electronic changes observed experimentally in Ag-cation-exchanged CdSe nanocrystals. We find that Coulomb interactions, both between ionized impurities and with the polarized nanocrystal surface, play a key role in cation exchange. Our theory also resolves several experimental puzzles related to photoluminescence and electrical behavior in CdSe nanocrystals doped with Ag.

Thermoelectric transport properties of the n-type impurity Al in PbTe

NASA Astrophysics Data System (ADS)

Jaworski, Christopher M.; Heremans, Joseph P.

2012-01-01

Because Tl and In are known to be resonant levels in IV-VI semiconductors, here we synthesize and electrically characterize lead telluride doped n-type with aluminum. The results show that Al behaves as a normal donor in PbTe, reaching a maximum electron concentration of 4 1019 cm-3. At 300 K, the thermopower, when plotted as function of electron concentration (the Pisarenko relation), follows the calculated line for the conduction band of PbTe, and no enhancement is observed that could indicate the presence of a resonant level.

Charge distribution and response time for a modulation-doped extrinsic infrared detector

NASA Technical Reports Server (NTRS)

Hadek, Victor

1987-01-01

The electric charge distribution and response time of a modulation-doped extrinsic infrared detector are determined. First, it is demonstrated theoretically that the photoconductive layer is effectively depleted of ionized majority-impurity charges so that scattering is small and mobility is high for photogenerated carriers. Then, using parameters appropriate to an actual detector, the predicted response time is 10 to the -8th to about 10 to the -9th s, which is much faster than comparable conventional detectors. Thus, the modulation-doped detector design would be valuable for heterodyne applications.

ELECTROMAGNETIC STIRRING IN ZONE REFINING

DOE Office of Scientific and Technical Information (OSTI.GOV)

Braun, I.; Frank, F.C.; Marshall, S.

1958-02-01

The efficiency of the zone refining process can obviously be increased by stirring the molten zone to disperse the impurity-rich layer at the solid- liquid surface. Induction heating is sometimes preferred to radiant heat because it produces more convection, but no marked improvement has been reported. Pfann and Dorsi(1967) have described a method of stirring the melt by passing an electric current through the ingot and compressing a magnetic field across the molten zone. Preliminary results obtained by using a rotating magnetic field us the stirring agent during the purification of aluminum are described. (A.C.)

Dual ohmic contact to N- and P-type silicon carbide

NASA Technical Reports Server (NTRS)

Okojie, Robert S. (Inventor)

2013-01-01

Simultaneous formation of electrical ohmic contacts to silicon carbide (SiC) semiconductor having donor and acceptor impurities (n- and p-type doping, respectively) is disclosed. The innovation provides for ohmic contacts formed on SiC layers having n- and p-doping at one process step during the fabrication of the semiconductor device. Further, the innovation provides a non-discriminatory, universal ohmic contact to both n- and p-type SiC, enhancing reliability of the specific contact resistivity when operated at temperatures in excess of 600.degree. C.

Predicting threshold and location of laser damage on optical surfaces

DOEpatents

Siekhaus, W.

1985-02-04

Disclosed is an apparatus useful in the prediction of the damage threshold of various optical devices, the location of weak spots on such devices and the location, identification, and elimination of optical surface impurities. The apparatus comprises a focused and pulsed laser, a photo electric detector/imaging means, and a timer. The weak spots emit photoelectrons when subjected to laser intensities that are less than the intensity actually required to produce the damage. The weak spots may be eliminated by sustained exposure to the laser beam.

Preparation of hierarchical porous carbon from waste printed circuit boards for high performance electric double-layer capacitors

NASA Astrophysics Data System (ADS)

Du, Xuan; Wang, Li; Zhao, Wei; Wang, Yi; Qi, Tao; Li, Chang Ming

2016-08-01

Renewable clean energy and resources recycling have become inevitable choices to solve worldwide energy shortages and environmental pollution problems. It is a great challenge to recycle tons of waste printed circuit boards (PCB) produced every year for clean environment while creating values. In this work, low cost, high quality activated carbons (ACs) were synthesized from non-metallic fractions (NMF) of waste PCB to offer a great potential for applications of electrochemical double-layer capacitors (EDLCs). After recovering metal from waste PCB, hierarchical porous carbons were produced from NMF by carbonization and activation processes. The experimental results exhibit that some pores were formed after carbonization due to the escape of impurity atoms introduced by additives in NMF. Then the pore structure was further tailored by adjusting the activation parameters. Roles of micropores and non-micropores in charge storage were investigated when the hierarchical porous carbons were applied as electrode of EDLCs. The highest specific capacitance of 210 F g-1 (at 50 mA g-1) and excellent rate capability were achieved when the ACs possessing a proper micropores/non-micropores ratio. This work not only provides a promising method to recycle PCB, but also investigates the structure tailoring arts for a rational hierarchical porous structure in energy storage/conversion.

Identification and characterization of potential impurities of donepezil.

PubMed

Krishna Reddy, K V S R; Moses Babu, J; Kumar, P Anil; Chandrashekar, E R R; Mathad, Vijayavitthal T; Eswaraiah, S; Reddy, M Satyanarayana; Vyas, K

2004-09-03

Five unknown impurities ranging from 0.05 to 0.2% in donepezil were detected by a simple isocratic reversed-phase high performance liquid chromatography (HPLC). These impurities were isolated from crude sample of donepezil using isocratic reversed-phase preparative high performance liquid chromatography. Based on the spectral data (IR, NMR and MS), the structures of these impurities were characterised as 5,6-dimethoxy-2-(4-pyridylmethyl)-1-indanone (impurity I), 4-(5,6-dimethoxy-2,3-dihydro-1H-2-indenylmethyl) piperidine (impurity II), 2-(1-benzyl-4-piperdylmethyl)-5,6-dimethoxy-1-indanol (impurity III) 1-benzyl-4(5,6-dimethoxy-2,3-dihydro-1H-2-indenylmethyl) piperidine (impurity IV) and 1,1-dibenzyl-4(5,6-dimethoxy-1-oxo-2,3-dihydro-2H-2-indenylmethyl)hexahydropyridinium bromide (impurity V). The synthesis of these impurities and their formation was discussed.

Selection of pecan shell based activated carbons for removal of organic and inorganic impurities from simulated well-water

USDA-ARS?s Scientific Manuscript database

Activated carbons are a byproduct from pyrolysis and have value as a purifying agent. The effectiveness of activated carbons is dependent on feedstock selection and pyrolysis conditions that modify its surface properties. Therefore, pecan shell-based activated carbons (PSACs) were prepared by soakin...

Impurity effects in transition metal silicides

NASA Technical Reports Server (NTRS)

Lien, C.-D.; Nicolet, M.-A.

1984-01-01

Impurities can affect the properties of silicides directly by virtue of their presence. Impurities can also influence the processes by which silicides are formed. The effect of impurities on the reaction of transition metal films with a silicon substrate induced by thermal annealing are well documented. The interpretation of these results is discussed. It is shown that impurity redistribution is a major factor in determining how significant the effect of an impurity is. Redistribution observed for dopant impurities is also discussed.

A low-cost non-toxic post-growth activation step for CdTe solar cells

NASA Astrophysics Data System (ADS)

Major, J. D.; Treharne, R. E.; Phillips, L. J.; Durose, K.

2014-07-01

Cadmium telluride, CdTe, is now firmly established as the basis for the market-leading thin-film solar-cell technology. With laboratory efficiencies approaching 20 per cent, the research and development targets for CdTe are to reduce the cost of power generation further to less than half a US dollar per watt (ref. 2) and to minimize the environmental impact. A central part of the manufacturing process involves doping the polycrystalline thin-film CdTe with CdCl2. This acts to form the photovoltaic junction at the CdTe/CdS interface and to passivate the grain boundaries, making it essential in achieving high device efficiencies. However, although such doping has been almost ubiquitous since the development of this processing route over 25 years ago, CdCl2 has two severe disadvantages; it is both expensive (about 30 cents per gram) and a water-soluble source of toxic cadmium ions, presenting a risk to both operators and the environment during manufacture. Here we demonstrate that solar cells prepared using MgCl2, which is non-toxic and costs less than a cent per gram, have efficiencies (around 13%) identical to those of a CdCl2-processed control group. They have similar hole densities in the active layer (9 × 1014 cm-3) and comparable impurity profiles for Cl and O, these elements being important p-type dopants for CdTe thin films. Contrary to expectation, CdCl2-processed and MgCl2-processed solar cells contain similar concentrations of Mg; this is because of Mg out-diffusion from the soda-lime glass substrates and is not disadvantageous to device performance. However, treatment with other low-cost chlorides such as NaCl, KCl and MnCl2 leads to the introduction of electrically active impurities that do compromise device performance. Our results demonstrate that CdCl2 may simply be replaced directly with MgCl2 in the existing fabrication process, thus both minimizing the environmental risk and reducing the cost of CdTe solar-cell production.

Characterisation of defects in p-GaN by admittance spectroscopy

NASA Astrophysics Data System (ADS)

Elsherif, O. S.; Vernon-Parry, K. D.; Evans-Freeman, J. H.; Airey, R. J.; Kappers, M.; Humphreys, C. J.

2012-08-01

Mg-doped GaN films have been grown on (0 0 0 1) sapphire using metal organic vapour phase epitaxy. Use of different buffer layer strategies caused the threading dislocation density (TDD) in the GaN to be either approximately 2×109 cm-2 or 1×1010 cm-2. Frequency-dependent capacitance and conductance measurements at temperatures up to 450 K have been used to study the electronic states associated with the Mg doping, and to determine how these are affected by the TDD. Admittance spectroscopy of the films finds a single impurity-related acceptor level with an activation energy of 160±10 meV for [Mg] of about 1×1019 cm-3, and 120±10 eV as the Mg precursor flux decreased. This level is thought to be associated with the Mg acceptor state. The TDD has no discernible effect on the trap detected by admittance spectroscopy. We compare these results with cathodoluminescence measurements reported in the literature, which reveal that most threading dislocations are non-radiative recombination centres, and discuss possible reasons why our admittance spectroscopy have not detected electrically active defects associated with threading dislocations.

Thermoluminescence and lattice defects in LiF

NASA Technical Reports Server (NTRS)

Stoebe, T. G.; Watanabe, S.

1975-01-01

The principal effect of thermal and optical treatments in an ionic solid is to alter the lattice defect equilibrium, including the concentration and arrangement of ion vacancies, impurities, impurity-vacancy associates, and assorted electrons and holes which may be associated with such defects. This paper examines the relationship between these defects and thermoluminescence in the case of lithium fluoride at and above room temperature. The discussion focuses on lattice defect equilibrium, thermoluminescent trapping centers, the relationship between recombination and luminescence, the supralinearity and sensitization of the dosimetry grade of LiF and activation energy parameters.

Identification of rhenium donors and sulfur vacancy acceptors in layered MoS{sub 2} bulk samples

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brandão, F. D., E-mail: fdbrand@fisica.ufmg.br; Ribeiro, G. M.; Vaz, P. H.

2016-06-21

MoS{sub 2} monolayers, a two-dimensional (2D) direct semiconductor material with an energy gap of 1.9 eV, offer many opportunities to be explored in different electronic devices. Defects often play dominant roles in the electronic and optical properties of semiconductor devices. However, little experimental information about intrinsic and extrinsic defects or impurities is available for this 2D system, and even for macroscopic 3D samples for which MoS{sub 2} shows an indirect bandgap of 1.3 eV. In this work, we evaluate the nature of impurities with unpaired spins using electron paramagnetic resonance (EPR) in different geological macroscopic samples. Regarding the fact that monolayers aremore » mostly obtained from natural crystals, we expect that the majority of impurities found in macroscopic samples are also randomly present in MoS{sub 2} monolayers. By EPR at low temperatures, rhenium donors and sulfur vacancy acceptors are identified as the main impurities in bulk MoS{sub 2} with a corresponding donor concentration of about 10{sup 8–12} defects/cm{sup 2} for MoS{sub 2} monolayer. Electrical transport experiments as a function of temperature are in good agreement with the EPR results, revealing a shallow donor state with an ionization energy of 89 meV and a concentration of 7 × 10{sup 15 }cm{sup −3}, which we attribute to rhenium, as well as a second deeper donor state with ionization energy of 241 meV with high concentration of 2 × 10{sup 19 }cm{sup −3} and net acceptor concentration of 5 × 10{sup 18 }cm{sup −3} related to sulfur vacancies.« less

MANUFACTURING FACILITY FOR ACTIVATED CARBON AND CERAMIC WATER FILTERS AT THE SONGHAI CENTER, BENIN

EPA Science Inventory

Ceramic filters will be manufactured at the Songhai Center in Porto-Novo, Benin for cost-effective drinking water treatment. The efficiency of the ceramic filters will be improved by adding activated carbon cartridges to remove organic and inorganic impurities. The activate...

40 CFR 161.153 - Definitions.

Code of Federal Regulations, 2012 CFR

2012-07-01

... ingredients with one or more other active or inert ingredients, without an intended chemical reaction, to... technical grade cannot be isolated) by chemical reaction. (k) Technical grade of active ingredient means a... unreacted starting materials, side reaction products, contaminants, and degradation products. (e) Impurity...

Energy spectrum and electrical conductivity of graphene with a nitrogen impurity

NASA Astrophysics Data System (ADS)

Repetskii, S. P.; Vyshivanaya, I. G.; Skotnikov, V. A.; Yatsenyuk, A. A.

2015-04-01

The electronic structure of graphene with a nitrogen impurity has been studied based on the model of tight binding using exchange-correlation potentials in the density-functional theory. Wave functions of 2 s and 2 p states of neutral noninteracting carbon atoms have been chosen as the basis. When studying the matrix elements of the Hamiltonian, the first three coordination shells have been taken into account. It has been established that the hybridization of electron-energy bands leads to the splitting of the electron energy spectrum near the Fermi level. Due to the overlap of the energy bands, the arising gap behaves as a quasi-gap, in which the density of the electron levels is much lower than in the rest of the spectrum. It has been established that the conductivity of graphene decreases with increasing nitrogen concentration. Since the increase in the nitrogen concentration leads to an increase in the density of states at the Fermi level, the decrease in the conductivity is due to a sharper decrease in the time of relaxation of the electron sates.

Single-Wall Carbon Nanotube Production by the Arc Process: A Parametric Study

NASA Technical Reports Server (NTRS)

Scott, Carl D.; Gorelik, Olga; Proft, William J.

2000-01-01

Single wall carbon nanotubes are produced using the arc discharge process. Graphite anodes are filled with a mixture of nickel and yttrium metallic powders, then vaporized by creating a high current arc. By varying the current, gap distance, and ambient pressure it is shown that the best yield of single wall carbon nanotubes is obtained within a narrow range of conditions. The relative yield and purity of the product are indicated semi-quantitatively from scanning electric microscopy (SEM) and thermogravimetric analysis (TGA). Two types of anodes have been investigated. The first is hollow and filled with a powder mixture of graphite, nickel and yttrium. The second is filled with a paste made of a mixture of metal nitrates, graphite powder and carbon adhesive, then reduced in an argon atmosphere at high temperature. Product purity and yield will be compared for the two types of anodes. The graphite in the anodes may have hydrogen attached in the pores. To remove this impurity anodes have been baked up to 1400 - 1500 C. The effect of baking the anodes on impurities in the product will be given.

Advanced Acid Gas Separation Technology for the Utilization of Low Rank Coals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kloosterman, Jeff

2012-12-31

Air Products has developed a potentially ground-breaking technology – Sour Pressure Swing Adsorption (PSA) – to replace the solvent-based acid gas removal (AGR) systems currently employed to separate sulfur containing species, along with CO{sub 2} and other impurities, from gasifier syngas streams. The Sour PSA technology is based on adsorption processes that utilize pressure swing or temperature swing regeneration methods. Sour PSA technology has already been shown with higher rank coals to provide a significant reduction in the cost of CO{sub 2} capture for power generation, which should translate to a reduction in cost of electricity (COE), compared to baselinemore » CO{sub 2} capture plant design. The objective of this project is to test the performance and capability of the adsorbents in handling tar and other impurities using a gaseous mixture generated from the gasification of lower rank, lignite coal. The results of this testing are used to generate a high-level pilot process design, and to prepare a techno-economic assessment evaluating the applicability of the technology to plants utilizing these coals.« less

Eutectic Experiment Development for Space Processing

NASA Technical Reports Server (NTRS)

Hopkins, R. H.

1972-01-01

A ground base test plan and a specimen evaluation scheme have been developed for the aluminum-copper eutectic solidification experiment to be run in the M518 multipurpose electric furnace during the Skylab mission. Besides thermal and solidification studies a detailed description is given of the quantitative metallographic technique which is appropriate for characterizing eutectic structures. This method should prove a key tool for evaluating specimen microstructure which is the most sensitive indicator of changes produced during solidification. It has been recommended that single grain pre-frozen eutectic specimens be used to simplify microstructural evaluation and to eliminate any porosity in the as-cast eutectic specimens. High purity (99.999%) materials from one supplier should be employed for all experiments. Laboratory studies indicate that porosity occurs in the MRC as-cast eutectic ingots but that this porosity can be eliminated by directional freezing. Chemical analysis shows that the MRC ingots are slightly Al rich and contain about .03% impurity. Because of the impurity content the lower cooldown rate (1.2 C/min) should be used for eutectic freezing if MRC material is used in the M518 furnace.

Initial leakage current paths in the vertical-type GaN-on-GaN Schottky barrier diodes

NASA Astrophysics Data System (ADS)

Sang, Liwen; Ren, Bing; Sumiya, Masatomo; Liao, Meiyong; Koide, Yasuo; Tanaka, Atsushi; Cho, Yujin; Harada, Yoshitomo; Nabatame, Toshihide; Sekiguchi, Takashi; Usami, Shigeyoshi; Honda, Yoshio; Amano, Hiroshi

2017-09-01

Electrical characteristics of leakage current paths in vertical-type n-GaN Schottky barrier diodes (SBDs) on free-standing GaN substrates are investigated by using photon emission microscopy (PEM). The PEM mapping shows that the initial failure of the SBD devices at low voltages is due to the leakage current paths from polygonal pits in the GaN epilayers. It is observed that these polygonal pits originate from carbon impurity accumulation to the dislocations with a screw-type component by microstructure analysis. For the SBD without polygonal pits, no initial failure is observed and the first leakage appeals at the edge of electrodes as a result of electric field concentration. The mechanism of leakage at pits is explained in terms of trap assisted tunneling through fitting current-voltage characteristics.

Thermoelectric transport in two-dimensional giant Rashba systems

NASA Astrophysics Data System (ADS)

Xiao, Cong; Li, Dingping; Ma, Zhongshui; Niu, Qian

Thermoelectric transport in strongly spin-orbit coupled two-dimensional Rashba systems is studied using the analytical solution of the linearized Boltzmann equation. To highlight the effects of inter-band scattering, we assume point-like potential impurities, and obtain the band-and energy-dependent transport relaxation times. Unconventional transport behaviors arise when the Fermi level lies near or below the band crossing point (BCP), such as the non-Drude electrical conducivity below the BCP, the failure of the standard Mott relation linking the Peltier coefficient to the electrical conductivity near the BCP, the enhancement of diffusion thermopower and figure of merit below the BCP, the zero-field Hall coefficient which is not inversely proportional to and not a monotonic function of the carrier density, the enhanced Nernst coefficient below the BCP, and the enhanced current-induced spin-polarization efficiency.

Enhanced Impurity-Free Intermixing Bandgap Engineering for InP-Based Photonic Integrated Circuits

NASA Astrophysics Data System (ADS)

Cui, Xiao; Zhang, Can; Liang, Song; Zhu, Hong-Liang; Hou, Lian-Ping

2014-04-01

Impurity-free intermixing of InGaAsP multiple quantum wells (MQW) using sputtering Cu/SiO2 layers followed by rapid thermal processing (RTP) is demonstrated. The bandgap energy could be modulated by varying the sputtering power and time of Cu, RTP temperature and time to satisfy the demands for lasers, modulators, photodetector, and passive waveguides for the photonic integrated circuits with a simple procedure. The blueshift of the bandgap wavelength of MQW is experimentally investigated on different sputtering and annealing conditions. It is obvious that the introduction of the Cu layer could increase the blueshift more greatly than the common impurity free vacancy disordering technique. A maximum bandgap blueshift of 172 nm is realized with an annealing condition of 750°C and 200s. The improved technique is promising for the fabrication of the active/passive optoelectronic components on a single wafer with simple process and low cost.

Poisoning of a Silica-Supported Cobalt Catalyst due to Presence of Sulfur Impurities in Syngas during Fischer–Tropsch Synthesis: Effects of Chelating Agent

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bambal, Ashish S.; Guggilla, Vidya S.; Kugler, Edwin L.

2014-04-09

The effects of sulfur impurities on the performance of cobalt-based Fischer–Tropsch catalysts are evaluated under industrially relevant operating conditions of temperature, pressure, and impurity levels. Chelating agents (CAs) were used to modify the SiO 2 support, and the performances of the CA-modified catalysts are compared with conventional Co/SiO 2 catalysts. For both the Co/SiO 2 and CA-modified catalysts, the presence of sulfur in the inlet syngas results in a notable drop in the CO conversion, an undesired shift in the hydrocarbon selectivity toward short-chain hydrocarbons, more olefins in the products, and lower product yields. In the post-poisoning stage, i.e., aftermore » termination of sulfur introduction in the inlet syngas, the CA-modified catalysts recover activity and selectivity (to some extent at least), whereas such trends are not observed for the base-case, i.e., unmodified Co/SiO 2 catalyst. Finally, the improved performance of the CA-modified catalysts in the presence of sulfur is attributed to higher densities of active sites.« less

Simultaneous gas chromatographic determination of chlorpyrifos and its impurity sulfotep in liquid pesticide formulations.

PubMed

Płonka, Marlena; Walorczyk, Stanisław; Miszczyk, Marek; Kronenbach-Dylong, Dorota

2016-11-01

An analytical method for simultaneous determination of the active substance (chlorpyrifos) and its relevant impurity (sulfotep) in commercial pesticide formulations has been developed and validated. The proposed method entails extraction of the analytes from samples by sonication with acetone and analysis by gas chromatography-flame ionization detection (GC-FID). The proposed method was characterized by satisfactory accuracy and precision. The repeatability expressed as relative standard deviation (RSD) was lower than the acceptable values calculated from the modified Horwitz equation whereas individual recoveries were in the range of 98-102% and 80-120% for chlorpyrifos and sulfotep, respectively. The limit of quantification (LOQ) for the impurity (sulfotep) was 0.003 mg mL(-1) corresponding to the maximum permitted level according to Food and Agricultural Organization of the United Nations (FAO) specifications for the active substance (chlorpyrifos) being 3 g kg(-1) of the chlorpyrifos content found. The main advantage of the proposed method was a considerable reduction in the analysis time since both analytes were determined based on a single injection into the GC-FID. Analysis of real samples of commercial pesticide formulations confirmed fitness-for-purpose of the proposed method.

Impurity-induced divertor plasma oscillations

DOE PAGES

Smirnov, R. D.; Kukushkin, A. S.; Krasheninnikov, S. I.; ...

2016-01-07

Two different oscillatory plasma regimes induced by seeding the plasma with high- and low-Z impurities are found for ITER-like divertor plasmas, using computer modeling with the DUSTT/UEDGE and SOLPS4.3 plasma-impurity transport codes. The oscillations are characterized by significant variations of the impurity-radiated power and of the peak heat load on the divertor targets. Qualitative analysis of the divertor plasma oscillations reveals different mechanisms driving the oscillations in the cases of high- and low-Z impurity seeding. The oscillations caused by the high-Z impurities are excited near the X-point by an impurity-related instability of the radiation-condensation type, accompanied by parallel impurity ionmore » transport affected by the thermal and plasma friction forces. The driving mechanism of the oscillations induced by the low-Z impurities is related to the cross-field transport of the impurity atoms, causing alteration between the high and low plasma temperature regimes in the plasma recycling region near the divertor targets. As a result, the implications of the impurity-induced plasma oscillations for divertor operation in the next generation tokamaks are also discussed.« less

Challenges in developing direct carbon fuel cells.

PubMed

Jiang, Cairong; Ma, Jianjun; Corre, Gael; Jain, Sneh L; Irvine, John T S

2017-05-22

A direct carbon fuel cell (DCFC) can produce electricity with both superior electrical efficiency and fuel utilisation compared to all other types of fuel cells. Although the first DCFC prototype was proposed in 1896, there was, until the 1970s, little sustained effort to investigate further, because of technology development issues. Interest in DCFCs has recently been reinvigorated as a possible method of replacing conventional coal-fired power plants to meet the demands for lower CO 2 emissions, and indeed for efficient utilisation of waste derived chars. In this article, recent developments in direct carbon conversion are reviewed, with the principal emphasis on the materials involved. The development of electrolytes, anodes and cathodes as well as fuel sources is examined. The activity and chemical stability of the anode materials are a critical concern addressed in the development of new materials. Redox media of molten carbonate or molten metal facilitating the transportation of ions offer promising possibilities for carbon oxidation. The suitability of different carbon fuels in various DCFC systems, in terms of crystal structure, surface properties, impurities and particle size, is also discussed. We explore the influence of a variety of parameters on the electrochemical performance of DCFCs, with regard to their open circuit voltage, power output and lifetime. The challenges faced in developing DCFCs are summarised, and potential prospects of the system are outlined.

Thallium Bromide as an Alternative Material for Room-Temperature Gamma-Ray Spectroscopy and Imaging

NASA Astrophysics Data System (ADS)

Koehler, William

Thallium bromide is an attractive material for room-temperature gamma-ray spectroscopy and imaging because of its high atomic number (Tl: 81, Br: 35), high density (7.56 g/cm3), and a wide bandgap (2.68 eV). In this work, 5 mm thick TlBr detectors achieved 0.94% FWHM at 662 keV for all single-pixel events and 0.72% FWHM at 662 keV from the best pixel and depth using three-dimensional position sensing technology. However, these results were limited to stable operation at -20°C. After days to months of room-temperature operation, ionic conduction caused these devices to fail. Depth-dependent signal analysis was used to isolate room-temperature degradation effects to within 0.5 mm of the anode surface. This was verified by refabricating the detectors after complete failure at room temperature; after refabrication, similar performance and functionality was recovered. As part of this work, the improvement in electron drift velocity and energy resolution during conditioning at -20°C was quantified. A new method was developed to measure the impurity concentration without changing the gamma ray measurement setup. The new method was used to show that detector conditioning was likely the result of charged impurities drifting out of the active volume. This space charge reduction then caused a more stable and uniform electric field. Additionally, new algorithms were developed to remove hole contributions in high-hole-mobility detectors to improve depth reconstruction. These algorithms improved the depth reconstruction (accuracy) without degrading the depth uncertainty (precision). Finally, spectroscopic and imaging performance of new 11 x 11 pixelated-anode TlBr detectors was characterized. The larger detectors were used to show that energy resolution can be improved by identifying photopeak events from their Tl characteristic x-rays.

[Optimization of solid-phase extraction for enrichment of toxic organic compounds in water samples].

PubMed

Zhang, Ming-quan; Li, Feng-min; Wu, Qian-yuan; Hu, Hong-ying

2013-05-01

A concentration method for enrichment of toxic organic compounds in water samples has been developed based on combined solid-phase extraction (SPE) to reduce impurities and improve recoveries of target compounds. This SPE method was evaluated in every stage to identify the source of impurities. Based on the analysis of Waters Oasis HLB without water samples, the eluent of SPE sorbent after dichloromethane and acetone contributed 85% of impurities during SPE process. In order to reduce the impurities from SPE sorbent, soxhlet extraction of dichloromethane followed by acetone and lastly methanol was applied to the sorbents for 24 hours and the results had proven that impurities were reduced significantly. In addition to soxhlet extraction, six types of prevalent SPE sorbents were used to absorb 40 target compounds, the lgK(ow) values of which were within the range of 1.46 and 8.1, and recovery rates were compared. It was noticed and confirmed that Waters Oasis HLB had shown the best recovery results for most of the common testing samples among all three styrenedivinylbenzene (SDB) polymer sorbents, which were 77% on average. Furthermore, Waters SepPak AC-2 provided good recovery results for pesticides among three types of activated carbon sorbents and the average recovery rates reached 74%. Therefore, Waters Oasis HLB and Waters SepPak AC-2 were combined to obtain a better recovery and the average recovery rate for the tested 40 compounds of this new SPE method was 87%.

Impurities in Tc-99m radiopharmaceutical solution obtained from Mo-100 in cyclotron.

PubMed

Tymiński, Zbigniew; Saganowski, Paweł; Kołakowska, Ewa; Listkowska, Anna; Ziemek, Tomasz; Cacko, Daniel; Dziel, Tomasz

2018-04-01

The gamma emitting impurities in 99m Tc solution obtained from enriched molybdenum 100 Mo metallic target after its irradiation in a cyclotron were measured using a high-purity germanium (HPGe) detector. The radioactivity range of tested samples of 99m Tc was rather low, in the range from 0.34 to 2.39 MBq, thus creating a challenge to investigate the standard measurement HPGe system for impurity detection and quantification. In the process of 99m Tc separation from irradiated target the AnaLig® Tc-02 resin, Dionex H + and Alumina A columns were used. Fractions of eluates from various steps of separation process were taken and measured for radionuclidic purity. The overall measurement sensitivity of gamma emitters in terms of minimum detectable activity (MDA) was found at the level of 14-70Bq with emission lines in range of 36 - 1836keV resulting in impurity content range of 6.7 × 10 -4 to 3.4 × 10 -3 % for 93 Tc, 93m Tc, 94 Tc, 94m Tc, 95 Tc, 95m Tc, 96 Tc 96 Nb, 97 Nb, 99 Mo contaminants and 9.4 × 10 -3 % for 97m Tc. The usefulness of the chosen measurement conditions and the method applied to testing the potential contaminators was proved by reaching satisfactory results of MDAs less than the criteria of impurity concentration of all nuclides specified in the European Pharmacopoeia. Copyright © 2017 Elsevier Ltd. All rights reserved.

Development of RP UPLC-TOF/MS, stability indicating method for omeprazole and its related substances by applying two level factorial design; and identification and synthesis of non-pharmacopoeial impurities.

PubMed

Jadhav, Sushant Bhimrao; Kumar, C Kiran; Bandichhor, Rakeshwar; Bhosale, P N

2016-01-25

A new UPLC-TOF/MS compatible, reverse phase-stability indicating method was developed for determination of Omeprazole (OMP) and its related substances in pharmaceutical dosage forms by implementing Design of Experiment (DoE) i.e. two level full factorial Design (2(3)+3 center points=11 experiments) to understand the Critical Method Parameters (CMP) and its relation with Critical Method Attribute (CMA); to ensure robustness of the method. The separation of eleven specified impurities including conversion product of OMP related compound F (13) and G (14) i.e. Impurity-I (1), OMP related compound-I (11) and OMP 4-chloro analog (12) was achieved in a single method on Acquity BEH shield RP18 100 × 2.1 mm, 1.7 μm column, with inlet filter (0.2 μm) using gradient elution and detector wavelength at 305 nm and validated in accordance with ICH guidelines and found to be accurate, precise, reproducible, robust and specific. The drug was found to degrade extensively in heat, humidity and acidic conditions and forms unknown degradation products during stability studies. The same method was used for LC-MS analysis to identify m/z and fragmentation of maximum unknown impurities (Non-Pharmacopoeial) i.e. Impurity-I (1), Impurity-III (3), Impurity-V (5) and Impurity-VIII (9) formed during stability studies. Based on the results, degradation pathway for the drug has been proposed and synthesis of identified impurities i.e. impurities (Impurity-I (1), Impurity-III (3), Impurity-V (5) and Impurity-VIII (9)) are discussed in detail to ensure in-depth understanding of OMP and its related impurities and optimum performance during lifetime of the product. Copyright © 2015. Published by Elsevier B.V.

Ion-Selective Deposition of Manganese Sulphate Solution from Trenggalek Manganese Ore by Active Carbon and Sodium Hydroxide

NASA Astrophysics Data System (ADS)

Andriyah, L.; Sulistiyono, E.

2017-02-01

One of the step in manganese dioxide manufacturing process for battery industry is a purification process of lithium manganese sulphate solution. The elimination of impurities such as iron removal is important in hydrometallurgical processes. Therefore, this paper present the purification results of manganese sulphate solution by removing impurities using a selective deposition method, namely activated carbon adsorption and NaOH. The experimental results showed that the optimum condition of adsorption process occurs on the addition of 5 g adsorbent and the addition of 10 ml NaOH 1 N, processing time of 30 minutes and the best is the activated carbon adsorption of Japan. Because the absolute requirement of the cathode material of lithium ion manganese are free of titanium then of local wood charcoal is good enough in terms of eliminating ions Ti is equal to 70.88%.

Impact of Biodiesel Impurities on the Performance and Durability of DOC, DPF and SCR Technologies: Preprint

DOE Office of Scientific and Technical Information (OSTI.GOV)

Williams, A.; McCormick, R.; Luecke, J.

2011-04-01

An accelerated durability test method determined the potential impact of biodiesel ash impurities, including engine testing with multiple diesel particulate filter substrate types, as well as diesel oxidation catalyst and selective catalyst reduction catalysts. The results showed no significant degradation in the thermo-mechanical properties of a DPF after exposure to 150,000-mile equivalent biodiesel ash and thermal aging. However, exposure to 435,000-mile equivalent aging resulted in a 69% decrease in thermal shock resistance. A decrease in DOC activity was seen after exposure to 150,000-mile equivalent aging, resulting in higher hydrocarbon slip and a reduction in NO2 formation. The SCR catalyst experiencedmore » a slight loss in activity after exposure to 435,000-mile equivalent aging. The SCR catalyst, placed downstream of the DPF and exposed to B20 exhaust suffered a 5% reduction in overall NOx conversion activity over the HDDT test cycle. It is estimated that the additional ash from 150,000 miles of biodiesel use would also result in a moderate increases in exhaust backpressure for a DPF. The results of this study suggest that long-term operation with B20 at the current specification limits for alkali and alkaline earth metal impurities will adversely impact the performance of DOC, DPF and SCR systems.« less

Energy-gap reduction in heavily doped silicon: Causes and consequences

NASA Astrophysics Data System (ADS)

Pantelides, Sokrates T.; Selloni, Annabella; Car, Roberto

1985-02-01

The authors review briefly the existing theoretical treatments of the various effects that contribute to the reduction of the energy gap in heavily doped Si, namely electron-electron and electron-impurity interactions and the effect of disorder in the impurity distribution. They then turn to the longstanding question why energy-gap reductions extracted from three different types of experiments have persistently produced values with substantial discrepancies, making it impossible to compare with theoretical values. First, they demonstrate that a meaningful comparison between theory and experiment can indeed be made if theoretical calculations are carried out for actual quantities that experiments measure, e.g. luminescence spectra, as recently done by Selloni and Pantelides. Then, they demonstrate that, independent of any theoretical calculations, the optical absorption spectra are fully consistent with the luminescence spectra and that the discrepancies in the energy-gap reductions extracted from the two sets of spectra are caused entirely by the curve-fitting procedures used in analyzing optical-absorption data. Finally, they show explicitly that, as already believed by many authors, energy-gap reductions extracted from electrical measurements on transistors do not correspond to true gap reductions. They identify two corrections that must be added to the values extracted from the electrical data in order to arrive at the true gap reductions and show that the resulting values are in good overall agreement with luminescence and absorption data. They, therefore, demonstrate that the observed reduction in emitter injection efficiency in bipolar transistors is not strictly due to a gap reduction, as generally believed, but to three very different effects.

In-plane anisotropy of the electric field gradient in Ba(Fe 1 -xCox)2As2 observed by 75As NMR

NASA Astrophysics Data System (ADS)

Toyoda, Masayuki; Ichikawa, Akihiro; Kobayashi, Yoshiaki; Sato, Masatoshi; Itoh, Masayuki

2018-05-01

We have performed 75As NMR measurements on single crystals to investigate the nematic behavior via the in-plane anisotropy of the electronic state at the As site far from Co impurities in the representative iron arsenides Ba (Fe1-xCox) 2As2 . From the analysis of the angular dependence of the NMR satellites in the c plane using the binominal distribution, we find that there is the in-plane fourfold symmetry breaking, namely, the orthorhombic-type anisotropy in the electric field gradient (EFG) at the As site with no Co atom at the nearest neighboring Fe sites even in the tetragonal phase of both BaFe2As2 and Ba (Fe1-xCox) 2As2(x ≠0 ) . The NMR spectrum in the antiferromagnetically ordered state of BaFe2As2 is shown not to support a nanotwin model on the basis of the nematic order proposed from the pair-distribution analysis of neutron scattering data. Based on results of the x and temperature T dependences of the in-plane anisotropy in the wide x and T ranges, the symmetry breaking is concluded to come from the local orthorhombic domains induced by disorder such as Co impurities or lattice imperfections. Furthermore, we find that the asymmetry parameter of EFG η obeys the Curie-Weiss law which may be governed by nematic susceptibility, and the Weiss temperature becomes zero at xc˜0.05 in Ba (Fe1-xCox) 2As2 .

Virus detection and quantification using electrical parameters

NASA Astrophysics Data System (ADS)

Ahmad, Mahmoud Al; Mustafa, Farah; Ali, Lizna M.; Rizvi, Tahir A.

2014-10-01

Here we identify and quantitate two similar viruses, human and feline immunodeficiency viruses (HIV and FIV), suspended in a liquid medium without labeling, using a semiconductor technique. The virus count was estimated by calculating the impurities inside a defined volume by observing the change in electrical parameters. Empirically, the virus count was similar to the absolute value of the ratio of the change of the virus suspension dopant concentration relative to the mock dopant over the change in virus suspension Debye volume relative to mock Debye volume. The virus type was identified by constructing a concentration-mobility relationship which is unique for each kind of virus, allowing for a fast (within minutes) and label-free virus quantification and identification. For validation, the HIV and FIV virus preparations were further quantified by a biochemical technique and the results obtained by both approaches corroborated well. We further demonstrate that the electrical technique could be applied to accurately measure and characterize silica nanoparticles that resemble the virus particles in size. Based on these results, we anticipate our present approach to be a starting point towards establishing the foundation for label-free electrical-based identification and quantification of an unlimited number of viruses and other nano-sized particles.

Effects of silver impurity on the structural, electrical, and optical properties of ZnO nanowires

PubMed Central

2011-01-01

1, 3, and 5 wt.% silver-doped ZnO (SZO) nanowires (NWs) are grown by hot-walled pulsed laser deposition. After silver-doping process, SZO NWs show some change behaviors, including structural, electrical, and optical properties. In case of structural property, the primary growth plane of SZO NWs is switched from (002) to (103) plane, and the electrical properties of SZO NWs are variously measured to be about 4.26 × 106, 1.34 × 106, and 3.04 × 105 Ω for 1, 3, and 5 SZO NWs, respectively. In other words, the electrical properties of SZO NWs depend on different Ag ratios resulting in controlling the carrier concentration. Finally, the optical properties of SZO NWs are investigated to confirm p-type semiconductor by observing the exciton bound to a neutral acceptor (A0X). Also, Ag presence in ZnO NWs is directly detected by both X-ray photoelectron spectroscopy and energy dispersive spectroscopy. These results imply that Ag doping facilitates the possibility of changing the properties in ZnO NWs by the atomic substitution of Ag with Zn in the lattice. PMID:21985620

Impurity-induced tuning of quantum-well States in spin-dependent resonant tunneling.

PubMed

Kalitsov, Alan; Coho, A; Kioussis, Nicholas; Vedyayev, Anatoly; Chshiev, M; Granovsky, A

2004-07-23

We report exact model calculations of the spin-dependent tunneling in double magnetic tunnel junctions in the presence of impurities in the well. We show that the impurity can tune selectively the spin channels giving rise to a wide variety of interesting and novel transport phenomena. The tunneling magnetoresistance, the spin polarization, and the local current can be dramatically enhanced or suppressed by impurities. The underlying mechanism is the impurity-induced shift of the quantum well states (QWSs), which depends on the impurity potential, impurity position, and the symmetry of the QWS. Copyright 2004 The American Physical Society

Effects of Impurities and Processing on Silicon Solar Cells, Phase 3

NASA Technical Reports Server (NTRS)

Hopkins, R. H.; Davis, J. R.; Blais, P. D.; Rohatgi, A.; Campbell, R. B.; Rai-Choudhury, P.; Stapleton, R. E.; Mollenkopf, H. C.; Mccormick, J. R.

1979-01-01

Results of the 14th quarterly report are presented for a program designed to assess the effects of impurities, thermochemical processes and any impurity process interactions on the performance of terrestrial silicon solar cells. The Phase 3 effort encompasses: (1) potential interactions between impurities and thermochemical processing of silicon; (2) impurity-cell performance relationships in n-base silicon; (3) effect of contaminants introduced during silicon production, refining or crystal growth on cell performance; (4) effects of nonuniform impurity distributions in large area silicon wafers; and (5) a preliminary study of the permanence of impurity effects in silicon solar cells.

Process and system for removing impurities from a gas

DOEpatents

Henningsen, Gunnar; Knowlton, Teddy Merrill; Findlay, John George; Schlather, Jerry Neal; Turk, Brian S

2014-04-15

A fluidized reactor system for removing impurities from a gas and an associated process are provided. The system includes a fluidized absorber for contacting a feed gas with a sorbent stream to reduce the impurity content of the feed gas; a fluidized solids regenerator for contacting an impurity loaded sorbent stream with a regeneration gas to reduce the impurity content of the sorbent stream; a first non-mechanical gas seal forming solids transfer device adapted to receive an impurity loaded sorbent stream from the absorber and transport the impurity loaded sorbent stream to the regenerator at a controllable flow rate in response to an aeration gas; and a second non-mechanical gas seal forming solids transfer device adapted to receive a sorbent stream of reduced impurity content from the regenerator and transfer the sorbent stream of reduced impurity content to the absorber without changing the flow rate of the sorbent stream.

Development of Impurity Profiling Methods Using Modern Analytical Techniques.

PubMed

Ramachandra, Bondigalla

2017-01-02

This review gives a brief introduction about the process- and product-related impurities and emphasizes on the development of novel analytical methods for their determination. It describes the application of modern analytical techniques, particularly the ultra-performance liquid chromatography (UPLC), liquid chromatography-mass spectrometry (LC-MS), high-resolution mass spectrometry (HRMS), gas chromatography-mass spectrometry (GC-MS) and high-performance thin layer chromatography (HPTLC). In addition to that, the application of nuclear magnetic resonance (NMR) spectroscopy was also discussed for the characterization of impurities and degradation products. The significance of the quality, efficacy and safety of drug substances/products, including the source of impurities, kinds of impurities, adverse effects by the presence of impurities, quality control of impurities, necessity for the development of impurity profiling methods, identification of impurities and regulatory aspects has been discussed. Other important aspects that have been discussed are forced degradation studies and the development of stability indicating assay methods.

Motion of a Distinguishable Impurity in the Bose Gas: Arrested Expansion Without a Lattice and Impurity Snaking

NASA Astrophysics Data System (ADS)

Robinson, Neil J.; Caux, Jean-Sébastien; Konik, Robert M.

2016-04-01

We consider the real-time dynamics of an initially localized distinguishable impurity injected into the ground state of the Lieb-Liniger model. Focusing on the case where integrability is preserved, we numerically compute the time evolution of the impurity density operator in regimes far from analytically tractable limits. We find that the injected impurity undergoes a stuttering motion as it moves and expands. For an initially stationary impurity, the interaction-driven formation of a quasibound state with a hole in the background gas leads to arrested expansion—a period of quasistationary behavior. When the impurity is injected with a finite center-of-mass momentum, the impurity moves through the background gas in a snaking manner, arising from a quantum Newton's cradlelike scenario where momentum is exchanged back and forth between the impurity and the background gas.

Motion of a distinguishable Impurity in the Bose gas: Arrested expansion without a lattice and impurity snaking

DOE PAGES

Neil J. Robinson; Caux, Jean -Sebastien; Konik, Robert M.

2016-04-07

We consider the real-time dynamics of an initially localized distinguishable impurity injected into the ground state of the Lieb-Liniger model. Focusing on the case where integrability is preserved, we numerically compute the time evolution of the impurity density operator in regimes far from analytically tractable limits. We find that the injected impurity undergoes a stuttering motion as it moves and expands. For an initially stationary impurity, the interaction-driven formation of a quasibound state with a hole in the background gas leads to arrested expansion—a period of quasistationary behavior. In conclusion, when the impurity is injected with a finite center-of-mass momentum,more » the impurity moves through the background gas in a snaking manner, arising from a quantum Newton’s cradlelike scenario where momentum is exchanged back and forth between the impurity and the background gas.« less

Regulatory requirements for genotoxicity assessment of plant protection product active ingredients, impurities, and metabolites.

PubMed

Booth, Ewan D; Rawlinson, Paul J; Maria Fagundes, Priscila; Leiner, Kevin A

2017-06-01

Active ingredients in plant protection products are subject to rigorous safety assessment during their development, including assessment of genotoxicity. Plant protection products are used for agriculture in multiple regions and for the registration of active ingredients it is necessary to satisfy the data requirements of these different regions. There are no overarching global agreements on which genotoxicity studies need to be conducted to satisfy the majority of regulatory authorities. The implementation of new OECD guidelines for the in vitro micronucleus, transgenic rodent somatic and germ cell gene mutation and in vivo comet assays, as well as the revision of a number of other OECD test guidelines has resulted in some changes to data requirements. This review describes the genotoxicity data requirements for chemical active ingredients as well as biologicals, microbials, ground water metabolites, metabolites, and impurities in a number of regions. Similarities and differences are highlighted. Environ. Mol. Mutagen. 58:325-344, 2017. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Analytical advances in pharmaceutical impurity profiling.

PubMed

Holm, René; Elder, David P

2016-05-25

Impurities will be present in all drug substances and drug products, i.e. nothing is 100% pure if one looks in enough depth. The current regulatory guidance on impurities accepts this, and for drug products with a dose of less than 2g/day identification of impurities is set at 0.1% levels and above (ICH Q3B(R2), 2006). For some impurities, this is a simple undertaking as generally available analytical techniques can address the prevailing analytical challenges; whereas, for others this may be much more challenging requiring more sophisticated analytical approaches. The present review provides an insight into current development of analytical techniques to investigate and quantify impurities in drug substances and drug products providing discussion of progress particular within the field of chromatography to ensure separation of and quantification of those related impurities. Further, a section is devoted to the identification of classical impurities, but in addition, inorganic (metal residues) and solid state impurities are also discussed. Risk control strategies for pharmaceutical impurities aligned with several of the ICH guidelines, are also discussed. Copyright © 2015 Elsevier B.V. All rights reserved.

Impurity-directed transport within a finite disordered lattice

NASA Astrophysics Data System (ADS)

Magnetta, Bradley J.; Ordonez, Gonzalo; Garmon, Savannah

2018-02-01

We consider a finite, disordered 1D quantum lattice with a side-attached impurity. We study theoretically the transport of a single electron from the impurity into the lattice, at zero temperature. The transport is dominated by Anderson localization and, in general, the electron motion has a random character due to the lattice disorder. However, we show that by adjusting the impurity energy the electron can attain quasi-periodic motions, oscillating between the impurity and a small region of the lattice. This region corresponds to the spatial extent of a localized state with an energy matched by that of the impurity. By precisely tuning the impurity energy, the electron can be set to oscillate between the impurity and a region far from the impurity, even distances larger than the Anderson localization length. The electron oscillations result from the interference of hybridized states, which have some resemblance to Pendry's necklace states (Pendry, 1987) [21]. The dependence of the electron motion on the impurity energy gives a potential mechanism for selectively routing an electron towards different regions of a 1D disordered lattice.

GEM detectors for WEST and potential application for heavy impurity transport studies

NASA Astrophysics Data System (ADS)

Mazon, D.; Jardin, A.; Coston, C.; Faisse, F.; Chernyshova, M.; Czarski, T.; Kasprowicz, G.; Wojenski, A.

2016-08-01

In tokamaks equipped with metallic walls and in particular tungsten, the interplay between particle transport and MagnetoHydroDynamic (MHD) activity might lead to impurities accumulation and finally to sudden plasma termination called disruption. Studying such transport phenomena is thus essential if stationary discharges are to be achieved. On WEST a new SXR diagnostic is developed in collaboration with IPPLM (Poland) and the Warsaw University of Technology, based on a triple Gas Electron Multiplier (GEM) detector. Potential application of the WEST GEM detectors for tomographic reconstruction and subsequent transport analysis is presented.

Investigation of Celestial Solid Analogs

NASA Technical Reports Server (NTRS)

Sievers, A. J.

2003-01-01

Our far infrared studies of both hydrophobic and hydrophilic aerogel grains have demonstrated that the mm and sub-mm wave absorption produced by the fundamental two level systems (TLS) mechanism represents a more significant contribution for these open grain structures than for bulk amorphous silicate grains. We found that the region with the anomalous temperature dependence of the spectral index due to the TLS excitations can extend in a fluffy material up to 80 per cm, which is well beyond its typical upper limit for bulk glasses. Currently there is no theoretical explanation for this surprising result. The effects of reduced dimensionality on the optical properties of carbonaceous grains have been studied with a systematic investigation of carbon aerogels. This spectroscopic approach has permitted a more reliable determination of the single grain mass normalized absorption coefficient based on the experimentally determined characteristics of the fluffy material rather than on first principles calculations involving the bulk properties of the substance. Our finding is that the electrical connectivity of the material is the main factor affecting its far infrared absorption coefficient. Another one of the main constituents of the interstellar dust, amorphous ice, has been investigated in the mm-wave region both in the high (HDA) and low (LDA) density amorphous phases and as a function of impurities. We found that doping either phase with ionic (LiCl) or molecular (methanol) impurities decreases the difference in the mm-wave absorption coefficient between the HDA and LDA ice phases so that the HDA spectrum can be used as an analog for impure ice absorption in the far infrared spectral region.

Phosphorus diffusion gettering process of multicrystalline silicon using a sacrificial porous silicon layer

PubMed Central

2012-01-01

The aims of this work are to getter undesirable impurities from low-cost multicrystalline silicon (mc-Si) wafers and then enhance their electronic properties. We used an efficient process which consists of applying phosphorus diffusion into a sacrificial porous silicon (PS) layer in which the gettered impurities have been trapped after the heat treatment. As we have expected, after removing the phosphorus-rich PS layer, the electrical properties of the mc-Si wafers were significantly improved. The PS layers, realized on both sides of the mc-Si substrates, were formed by the stain-etching technique. The phosphorus treatment was achieved using a liquid POCl3-based source on both sides of the mc-Si wafers. The realized phosphorus/PS/Si/PS/phosphorus structures were annealed at a temperature ranging between 700°C and 950°C under a controlled O2 atmosphere, which allows phosphorus to diffuse throughout the PS layers and to getter eventual metal impurities towards the phosphorus-doped PS layer. The effect of this gettering procedure was investigated by means of internal quantum efficiency and the dark current–voltage (I-V) characteristics. The minority carrier lifetime measurements were made using a WTC-120 photoconductance lifetime tester. The serial resistance and the shunt resistance carried out from the dark I-V curves confirm this gettering-related solar cell improvement. It has been shown that the photovoltaic parameters of the gettered silicon solar cells were improved with regard to the ungettered one, which proves the beneficial effect of this gettering process on the conversion efficiency of the multicrystalline silicon solar cells. PMID:22846070

Dehydration of chlorite explains anomalously high electrical conductivity in the mantle wedges.

PubMed

Manthilake, Geeth; Bolfan-Casanova, Nathalie; Novella, Davide; Mookherjee, Mainak; Andrault, Denis

2016-05-01

Mantle wedge regions in subduction zone settings show anomalously high electrical conductivity (~1 S/m) that has often been attributed to the presence of aqueous fluids released by slab dehydration. Laboratory-based measurements of the electrical conductivity of hydrous phases and aqueous fluids are significantly lower and cannot readily explain the geophysically observed anomalously high electrical conductivity. The released aqueous fluid also rehydrates the mantle wedge and stabilizes a suite of hydrous phases, including serpentine and chlorite. In this present study, we have measured the electrical conductivity of a natural chlorite at pressures and temperatures relevant for the subduction zone setting. In our experiment, we observe two distinct conductivity enhancements when chlorite is heated to temperatures beyond its thermodynamic stability field. The initial increase in electrical conductivity to ~3 × 10(-3) S/m can be attributed to chlorite dehydration and the release of aqueous fluids. This is followed by a unique, subsequent enhancement of electrical conductivity of up to 7 × 10(-1) S/m. This is related to the growth of an interconnected network of a highly conductive and chemically impure magnetite mineral phase. Thus, the dehydration of chlorite and associated processes are likely to be crucial in explaining the anomalously high electrical conductivity observed in mantle wedges. Chlorite dehydration in the mantle wedge provides an additional source of aqueous fluid above the slab and could also be responsible for the fixed depth (120 ± 40 km) of melting at the top of the subducting slab beneath the subduction-related volcanic arc front.

Study of SF6 gas decomposition products based on spectroscopy technology

NASA Astrophysics Data System (ADS)

Cai, Ji-xing; Na, Yan-xiang; Ni, Wei-yuan; Li, Guo-wei; Feng, Ke-cheng; Song, Gui-cai

2011-08-01

With the rapid development of power industry, the number of SF6 electrical equipment are increasing, it has gradually replaced the traditional insulating oil material as insulation and arc media in the high-voltage electrical equipment. Pure SF6 gas has excellent insulating properties and arc characteristics; however, under the effect of the strong arc, SF6 gas will decompose and generate toxic substances, then corroding electrical equipment, thereby affecting the insulation and arc ability of electrical equipment. If excessive levels of impurities in the gas that will seriously affect the mechanical properties, breaking performance and electrical performance of electrical equipment, it will cause many serious consequences, even threaten the safe operation of the grid. This paper main analyzes the basic properties of SF6 gas and the basic situation of decomposition in the discharge conditions, in order to simulate the actual high-voltage electrical equipment, designed and produced a simulation device that can simulate the decomposition of SF6 gas under a high voltage discharge, and using fourier transform infrared spectroscopy to analyze the sample that produced by the simulation device. The result show that the main discharge decomposition product is SO2F2 (sulfuryl fluoride), the substance can react with water and generate corrosive H2SO4(sulfuric acid) and HF (hydrogen fluoride), also found that the increase in the number with the discharge, SO2F2concentration levels are on the rise. Therefore, the material can be used as one of the main characteristic gases to determine the SF6 electrical equipment failure, and to monitor their concentration levels.

Dehydration of chlorite explains anomalously high electrical conductivity in the mantle wedges

PubMed Central

Manthilake, Geeth; Bolfan-Casanova, Nathalie; Novella, Davide; Mookherjee, Mainak; Andrault, Denis

2016-01-01

Mantle wedge regions in subduction zone settings show anomalously high electrical conductivity (~1 S/m) that has often been attributed to the presence of aqueous fluids released by slab dehydration. Laboratory-based measurements of the electrical conductivity of hydrous phases and aqueous fluids are significantly lower and cannot readily explain the geophysically observed anomalously high electrical conductivity. The released aqueous fluid also rehydrates the mantle wedge and stabilizes a suite of hydrous phases, including serpentine and chlorite. In this present study, we have measured the electrical conductivity of a natural chlorite at pressures and temperatures relevant for the subduction zone setting. In our experiment, we observe two distinct conductivity enhancements when chlorite is heated to temperatures beyond its thermodynamic stability field. The initial increase in electrical conductivity to ~3 × 10−3 S/m can be attributed to chlorite dehydration and the release of aqueous fluids. This is followed by a unique, subsequent enhancement of electrical conductivity of up to 7 × 10−1 S/m. This is related to the growth of an interconnected network of a highly conductive and chemically impure magnetite mineral phase. Thus, the dehydration of chlorite and associated processes are likely to be crucial in explaining the anomalously high electrical conductivity observed in mantle wedges. Chlorite dehydration in the mantle wedge provides an additional source of aqueous fluid above the slab and could also be responsible for the fixed depth (120 ± 40 km) of melting at the top of the subducting slab beneath the subduction-related volcanic arc front. PMID:27386526

Detecting Kondo Entanglement by Electron Conductance

NASA Astrophysics Data System (ADS)

Yoo, Gwangsu; Lee, S.-S. B.; Sim, H.-S.

2018-04-01

Quantum entanglement between an impurity spin and electrons nearby is a key property of the single-channel Kondo effects. We show that the entanglement can be detected by measuring electron conductance through a double quantum dot in an orbital Kondo regime. We derive a relation between the entanglement and the conductance, when the SU(2) spin symmetry of the regime is weakly broken. The relation reflects the universal form of many-body states near the Kondo fixed point. Using it, the spatial distribution of the entanglement—hence, the Kondo cloud—can be detected, with breaking of the symmetry spatially nonuniformly by electrical means.

Photovoltaic Cell And Manufacturing Process

DOEpatents

Albright, Scot P.; Chamberlin, Rhodes R.

1996-11-26

Provided is a method for controlling electrical properties and morphology of a p-type material of a photovoltaic device. The p-type material, such as p-type cadmium telluride, is first subjected to heat treatment in an oxidizing environment, followed by recrystallization in an environment substantially free of oxidants. In one embodiment, the heat treatment step comprises first subjecting the p-type material to an oxidizing atmosphere at a first temperature to getter impurities, followed by second subjecting the p-type material to an oxidizing atmosphere at a second temperature, higher than the first temperature, to develop a desired oxidation gradient through the p-type material.

Preparation and electrical transport properties of quasi free standing bilayer graphene on SiC (0001) substrate by H intercalation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yu, Cui; Liu, Qingbin; Li, Jia

2014-11-03

We investigate the temperature dependent electrical transport properties of quasi-free standing bilayer graphene on 4H-SiC (0001) substrate. Three groups of monolayer epitaxial graphene and corresponding quasi-free standing bilayer graphene with different crystal quality and layer number homogeneity are prepared. Raman spectroscopy and atomic-force microscopy are used to obtain their morphologies and layer number, and verify the complete translation of buffer layer into graphene. The highest room temperature mobility reaches 3700 cm{sup 2}/V·s for the quasi-free standing graphene. The scattering mechanism analysis shows that poor crystal quality and layer number inhomogeneity introduce stronger interacting of SiC substrate to the graphene layer andmore » more impurities, which limit the carrier mobility of the quasi-free standing bilayer graphene samples.« less

Electrical control of spin dynamics in finite one-dimensional systems

NASA Astrophysics Data System (ADS)

Pertsova, A.; Stamenova, M.; Sanvito, S.

2011-10-01

We investigate the possibility of the electrical control of spin transfer in monoatomic chains incorporating spin impurities. Our theoretical framework is the mixed quantum-classical (Ehrenfest) description of the spin dynamics, in the spirit of the s-d model, where the itinerant electrons are described by a tight-binding model while localized spins are treated classically. Our main focus is on the dynamical exchange interaction between two well-separated spins. This can be quantified by the transfer of excitations in the form of transverse spin oscillations. We systematically study the effect of an electrostatic gate bias Vg on the interconnecting channel and we map out the long-range dynamical spin transfer as a function of Vg. We identify regions of Vg giving rise to significant amplification of the spin transmission at low frequencies and relate this to the electronic structure of the channel.

Solar-induced direct biomass-to-electricity hybrid fuel cell using polyoxometalates as photocatalyst and charge carrier.

PubMed

Liu, Wei; Mu, Wei; Liu, Mengjie; Zhang, Xiaodan; Cai, Hongli; Deng, Yulin

2014-01-01

The current polymer-exchange membrane fuel cell technology cannot directly use biomass as fuel. Here we present a solar-induced hybrid fuel cell that is directly powered with natural polymeric biomasses, such as starch, cellulose, lignin, and even switchgrass and wood powders. The fuel cell uses polyoxometalates as the photocatalyst and charge carrier to generate electricity at low temperature. This solar-induced hybrid fuel cell combines some features of solar cells, fuel cells and redox flow batteries. The power density of the solar-induced hybrid fuel cell powered by cellulose reaches 0.72 mW cm(-2), which is almost 100 times higher than cellulose-based microbial fuel cells and is close to that of the best microbial fuel cells reported in literature. Unlike most cell technologies that are sensitive to impurities, the cell reported in this study is inert to most organic and inorganic contaminants present in the fuels.

Identification of dopant-induced point defects and their effect on the performance of CZT detectors (Conference Presentation)

NASA Astrophysics Data System (ADS)

Gul, Rubi; Bolotnikov, Aleksey E.; Camarda, Giuseppe S.; Cui, Yonggang; Didic, Václav; Egarievwe, Stephen U.; Hossain, Anwar; Roy, Utpal N.; Yang, Ge; James, Ralph B.

2016-09-01

In our prior research we investigated room-temperature radiation detectors (CZT, CMT, CdMgTe, CTS, among other compound semiconductors) for point defects related to different dopants and impurities. In this talk we will report on our most recent research on newly grown CZT crystals doped with In, In+Al, In+Ni, and In+Sn. The main focus will be on the study of dopant-induced point defects using deep-level current transient spectroscopy (i-DLTS). In addition the performance, ? product, gamma-ray spectral response and internal electric field of the detectors were measured and correlated with the dopant-induced point defects and their concentrations. Characterization of the detectors was carried out using i-DLTS for the point defects, Pockels effect for the internal electric-field distribution, and γ-ray spectroscopy for the spectral properties.

Low-temperature solution-processed zinc oxide field effect transistor by blending zinc hydroxide and zinc oxide nanoparticle in aqueous solutions

NASA Astrophysics Data System (ADS)

Shin, Hyeonwoo; Kang, Chan-mo; Baek, Kyu-Ha; Kim, Jun Young; Do, Lee-Mi; Lee, Changhee

2018-05-01

We present a novel methods of fabricating low-temperature (180 °C), solution-processed zinc oxide (ZnO) transistors using a ZnO precursor that is blended with zinc hydroxide [Zn(OH)2] and zinc oxide hydrate (ZnO • H2O) in an ammonium solution. By using the proposed method, we successfully improved the electrical performance of the transistor in terms of the mobility (μ), on/off current ratio (I on/I off), sub-threshold swing (SS), and operational stability. Our new approach to forming a ZnO film was systematically compared with previously proposed methods. An atomic forced microscopic (AFM) image and an X-ray photoelectron spectroscopy (XPS) analysis showed that our method increases the ZnO crystallite size with less OH‑ impurities. Thus, we attribute the improved electrical performance to the better ZnO film formation using the blending methods.

Novel near-infrared emission from crystal defects in MoS2 multilayer flakes.

PubMed

Fabbri, F; Rotunno, E; Cinquanta, E; Campi, D; Bonnini, E; Kaplan, D; Lazzarini, L; Bernasconi, M; Ferrari, C; Longo, M; Nicotra, G; Molle, A; Swaminathan, V; Salviati, G

2016-10-04

The structural defects in two-dimensional transition metal dichalcogenides, including point defects, dislocations and grain boundaries, are scarcely considered regarding their potential to manipulate the electrical and optical properties of this class of materials, notwithstanding the significant advances already made. Indeed, impurities and vacancies may influence the exciton population, create disorder-induced localization, as well as modify the electrical behaviour of the material. Here we report on the experimental evidence, confirmed by ab initio calculations, that sulfur vacancies give rise to a novel near-infrared emission peak around 0.75 eV in exfoliated MoS 2 flakes. In addition, we demonstrate an excess of sulfur vacancies at the flake's edges by means of cathodoluminescence mapping, aberration-corrected transmission electron microscopy imaging and electron energy loss analyses. Moreover, we show that ripplocations, extended line defects peculiar to this material, broaden and redshift the MoS 2 indirect bandgap emission.

Novel near-infrared emission from crystal defects in MoS2 multilayer flakes

PubMed Central

Fabbri, F.; Rotunno, E.; Cinquanta, E.; Campi, D.; Bonnini, E.; Kaplan, D.; Lazzarini, L.; Bernasconi, M.; Ferrari, C.; Longo, M.; Nicotra, G.; Molle, A.; Swaminathan, V.; Salviati, G.

2016-01-01

The structural defects in two-dimensional transition metal dichalcogenides, including point defects, dislocations and grain boundaries, are scarcely considered regarding their potential to manipulate the electrical and optical properties of this class of materials, notwithstanding the significant advances already made. Indeed, impurities and vacancies may influence the exciton population, create disorder-induced localization, as well as modify the electrical behaviour of the material. Here we report on the experimental evidence, confirmed by ab initio calculations, that sulfur vacancies give rise to a novel near-infrared emission peak around 0.75 eV in exfoliated MoS2 flakes. In addition, we demonstrate an excess of sulfur vacancies at the flake's edges by means of cathodoluminescence mapping, aberration-corrected transmission electron microscopy imaging and electron energy loss analyses. Moreover, we show that ripplocations, extended line defects peculiar to this material, broaden and redshift the MoS2 indirect bandgap emission. PMID:27698425

Solar-induced direct biomass-to-electricity hybrid fuel cell using polyoxometalates as photocatalyst and charge carrier

NASA Astrophysics Data System (ADS)

Liu, Wei; Mu, Wei; Liu, Mengjie; Zhang, Xiaodan; Cai, Hongli; Deng, Yulin

2014-02-01

The current polymer-exchange membrane fuel cell technology cannot directly use biomass as fuel. Here we present a solar-induced hybrid fuel cell that is directly powered with natural polymeric biomasses, such as starch, cellulose, lignin, and even switchgrass and wood powders. The fuel cell uses polyoxometalates as the photocatalyst and charge carrier to generate electricity at low temperature. This solar-induced hybrid fuel cell combines some features of solar cells, fuel cells and redox flow batteries. The power density of the solar-induced hybrid fuel cell powered by cellulose reaches 0.72 mW cm-2, which is almost 100 times higher than cellulose-based microbial fuel cells and is close to that of the best microbial fuel cells reported in literature. Unlike most cell technologies that are sensitive to impurities, the cell reported in this study is inert to most organic and inorganic contaminants present in the fuels.

The Numerical Simulation of the Nanosecond Switching of a p-SOS Diode

NASA Astrophysics Data System (ADS)

Podolska, N. I.; Lyublinskiy, A. G.; Grekhov, I. V.

2017-12-01

Abrupt high-density reverse current interruption has been numerically simulated for switching from forward to reverse bias in a silicon p + P 0 n + structure ( p-SOS diode). It has been shown that the current interruption in this structure occurs as a result of the formation of two dynamic domains of a strong electric field in regions in which the free carrier concentration substantially exceeds the concentration of the doping impurity. The first domain is formed in the n + region at the n + P 0 junction, while the second domain is formed in the P 0 region at the interface with the p + layer. The second domain expands much faster, and this domain mainly determines the current interruption rate. Good agreement is achieved between the simulation results and the experimental data when the actual electric circuit determining the electron-hole plasma pumping in and out is accurately taken into account.

Novel near-infrared emission from crystal defects in MoS2 multilayer flakes

NASA Astrophysics Data System (ADS)

Fabbri, F.; Rotunno, E.; Cinquanta, E.; Campi, D.; Bonnini, E.; Kaplan, D.; Lazzarini, L.; Bernasconi, M.; Ferrari, C.; Longo, M.; Nicotra, G.; Molle, A.; Swaminathan, V.; Salviati, G.

2016-10-01

The structural defects in two-dimensional transition metal dichalcogenides, including point defects, dislocations and grain boundaries, are scarcely considered regarding their potential to manipulate the electrical and optical properties of this class of materials, notwithstanding the significant advances already made. Indeed, impurities and vacancies may influence the exciton population, create disorder-induced localization, as well as modify the electrical behaviour of the material. Here we report on the experimental evidence, confirmed by ab initio calculations, that sulfur vacancies give rise to a novel near-infrared emission peak around 0.75 eV in exfoliated MoS2 flakes. In addition, we demonstrate an excess of sulfur vacancies at the flake's edges by means of cathodoluminescence mapping, aberration-corrected transmission electron microscopy imaging and electron energy loss analyses. Moreover, we show that ripplocations, extended line defects peculiar to this material, broaden and redshift the MoS2 indirect bandgap emission.

A defect model for UO2+x based on electrical conductivity and deviation from stoichiometry measurements

NASA Astrophysics Data System (ADS)

Garcia, Philippe; Pizzi, Elisabetta; Dorado, Boris; Andersson, David; Crocombette, Jean-Paul; Martial, Chantal; Baldinozzi, Guido; Siméone, David; Maillard, Serge; Martin, Guillaume

2017-10-01

Electrical conductivity of UO2+x shows a strong dependence upon oxygen partial pressure and temperature which may be interpreted in terms of prevailing point defects. A simulation of this property along with deviation from stoichiometry is carried out based on a model that takes into account the presence of impurities, oxygen interstitials, oxygen vacancies, holes, electrons and clusters of oxygen atoms. The equilibrium constants for each defect reaction are determined to reproduce the experimental data. An estimate of defect concentrations and their dependence upon oxygen partial pressure can then be determined. The simulations carried out for 8 different temperatures (973-1673 K) over a wide range of oxygen partial pressures are discussed and resulting defect equilibrium constants are plotted in an Arrhenius diagram. This provides an estimate of defect formation energies which may further be compared to other experimental data or ab-initio and empirical potential calculations.

Experimental ion mobility measurements for the LCTPC collaboration—Ar-CF4 mixtures

NASA Astrophysics Data System (ADS)

Santos, M. A. G.; Kaja, M. A.; Cortez, A. F. V.; Veenhof, R.; Neves, P. N. B.; Santos, F. P.; Borges, F. I. G. M.; Conde, C. A. N.

2018-04-01

In this paper we present the results of the ion mobility measurements made in pure carbon tetrafluoride (CF4) and gaseous mixtures of argon with carbon tetrafluoride (Ar-CF4) for pressures ranging from 6 to 10 Torr (8–10.6 mbar) and for low reduced electric fields in the 10 Td to 25 Td range (2.4-6.1 kVṡcm‑1ṡbar‑1), at room temperature. The time of arrival spectra revealed only one peak throughout the entire range studied which was attributed to CF3+. However, for Ar concentrations above 70%, a bump starts to appear at the left side of the main peak for reduced electric fields higher than 15 Td, which was attributed to impurities. The reduced mobilities obtained from the peak centroid of the time-of-arrival spectra are presented for Ar concentrations in the 5%–95% range.

Gaseous trace impurity analyzer and method

DOEpatents

Edwards, Jr., David; Schneider, William

1980-01-01

Simple apparatus for analyzing trace impurities in a gas, such as helium or hydrogen, comprises means for drawing a measured volume of the gas as sample into a heated zone. A segregable portion of the zone is then chilled to condense trace impurities in the gas in the chilled portion. The gas sample is evacuated from the heated zone including the chilled portion. Finally, the chilled portion is warmed to vaporize the condensed impurities in the order of their boiling points. As the temperature of the chilled portion rises, pressure will develop in the evacuated, heated zone by the vaporization of an impurity. The temperature at which the pressure increase occurs identifies that impurity and the pressure increase attained until the vaporization of the next impurity causes a further pressure increase is a measure of the quantity of the preceding impurity.

Impurity bound states in mesoscopic topological superconducting loops

NASA Astrophysics Data System (ADS)

Jin, Yan-Yan; Zha, Guo-Qiao; Zhou, Shi-Ping

2018-06-01

We study numerically the effect induced by magnetic impurities in topological s-wave superconducting loops with spin-orbit interaction based on spin-generalized Bogoliubov-de Gennes equations. In the case of a single magnetic impurity, it is found that the midgap bound states can cross the Fermi level at an appropriate impurity strength and the circulating spin current jumps at the crossing point. The evolution of the zero-energy mode can be effectively tuned by the located site of a single magnetic impurity. For the effect of many magnetic impurities, two independent midway or edge impurities cannot lead to the overlap of zero modes. The multiple zero-energy modes can be effectively realized by embedding a single Josephson junction with impurity scattering into the system, and the spin current displays oscillatory feature with increasing the layer thickness.

Ultrahigh-Gain Photodetectors Based on Atomically Thin Graphene-MoS2 Heterostructures

PubMed Central

Zhang, Wenjing; Chuu, Chih-Piao; Huang, Jing-Kai; Chen, Chang-Hsiao; Tsai, Meng-Lin; Chang, Yung-Huang; Liang, Chi-Te; Chen, Yu-Ze; Chueh, Yu-Lun; He, Jr-Hau; Chou, Mei-Yin; Li, Lain-Jong

2014-01-01

Due to its high carrier mobility, broadband absorption, and fast response time, the semi-metallic graphene is attractive for optoelectronics. Another two-dimensional semiconducting material molybdenum disulfide (MoS2) is also known as light- sensitive. Here we show that a large-area and continuous MoS2 monolayer is achievable using a CVD method and graphene is transferable onto MoS2. We demonstrate that a photodetector based on the graphene/MoS2 heterostructure is able to provide a high photogain greater than 108. Our experiments show that the electron-hole pairs are produced in the MoS2 layer after light absorption and subsequently separated across the layers. Contradictory to the expectation based on the conventional built-in electric field model for metal-semiconductor contacts, photoelectrons are injected into the graphene layer rather than trapped in MoS2 due to the presence of a perpendicular effective electric field caused by the combination of the built-in electric field, the applied electrostatic field, and charged impurities or adsorbates, resulting in a tuneable photoresponsivity. PMID:24451916

Electrical properties of lightly Ga-doped ZnO nanowires

NASA Astrophysics Data System (ADS)

Alagha, S.; Heedt, S.; Vakulov, D.; Mohammadbeigi, F.; Senthil Kumar, E.; Schäpers, Th; Isheim, D.; Watkins, S. P.; Kavanagh, K. L.

2017-12-01

We investigated the growth, crystal structure, elemental composition and electrical transport characteristics of ZnO nanowires, a promising candidate for optoelectronic applications in the UV-range. Nominally-undoped and Ga-doped ZnO nanowires were grown by metal-organic chemical vapor deposition. Photoluminescence measurements confirmed the incorporation of Ga via donor-bound exciton emission. With atom-probe tomography we estimated an upper limit of the Ga impurity concentration ({10}18 {{cm}}-3). We studied the electrical transport characteristics of these nanowires with a W-nanoprobe technique inside a scanning electron microscope and with lithographically-defined contacts allowing back-gated measurements. An increase in apparent resistivity by two orders of magnitude with decreasing radius was measured with both techniques with a much larger distribution width for the nanoprobe method. A drop in the effective carrier concentration and mobility was found with decreasing radius which can be attributed to carrier depletion and enhanced scattering due to surface states. Little evidence of a change in resistivity was observed with Ga doping, which indicates that the concentration of native or background dopants is higher than the Ga doping concentration.

Optical, electrical and ferromagnetic studies of ZnO:Fe diluted magnetic semiconductor nanoparticles for spintronic applications

NASA Astrophysics Data System (ADS)

Elilarassi, R.; Chandrasekaran, G.

2017-11-01

In the present investigation, diluted magnetic semiconductor (Zn1-xFexO) nanoparticles with different doping concentrations (x = 0, 0.02, 0.04, 0.06, and 0.08) were successfully synthesized by sol-gel auto-combustion method. The crystal structure, morphology, optical, electrical and magnetic properties of the prepared samples were characterized by X-ray diffraction (XRD), scanning electron microscope (SEM), energy dispersive analysis using x-rays (EDAX), ultraviolet-visible spectrophotometer, fluorescence spectroscope (FS), vibrating sample magnetometer (VSM) and broad band dielectric spectrometer (BDS). XRD results reveal that all the samples possess hexagonal wurtzite crystal structure with good crystalline quality. The absence of impurity phases divulge that Fe ions are well incorporated into the ZnO crystal lattice. The substitutional incorporation of Fe3+ at Zn sites is reflected in optical absorption spectra of the samples. Flouorescence spectra of the samples show a strong near-band edge related UV emission as well as defect related visible emissions. The semiconducting behavior of the samples has been confirmed through electrical conductivity measurements. Magnetic measurements indicated that all the samples possess ferromagnetism at room temperature.

Radial electric field in JET advanced tokamak scenarios with toroidal field ripple

NASA Astrophysics Data System (ADS)

Crombé, K; Andrew, Y; Biewer, T M; Blanco, E; de Vries, P C; Giroud, C; Hawkes, N C; Meigs, A; Tala, T; von Hellermann, M; Zastrow, K-D; JET EFDA Contributors

2009-05-01

A dedicated campaign has been run on JET to study the effect of toroidal field (TF) ripple on plasma performance. Radial electric field measurements from experiments on a series of plasmas with internal transport barriers (ITBs) and different levels of ripple amplitude are presented. They have been calculated from charge exchange measurements of impurity ion temperature, density and rotation velocity profiles, using the force balance equation. The ion temperature and the toroidal and poloidal rotation velocities are compared in plasmas with both reversed and optimized magnetic shear profiles. Poloidal rotation velocity (vθ) in the ITB region is measured to be of the order of a few tens of km s-1, significantly larger than the neoclassical predictions. Increasing levels of the TF ripple are found to decrease the ion temperature gradient in the ITB region, a measure for the quality of the ITB, and the maximum value of vθ is reduced. The poloidal rotation term dominates in the calculations of the total radial electric field (Er), with the largest gradient in Er measured in the radial region coinciding with the ITB.

Growth and characterization of pure and Ca2+ doped MnHg(SCN)4 single crystals

NASA Astrophysics Data System (ADS)

Latha, C.; Mahadevan, C. K.; Guo, Li; Liu, Jinghe

2018-05-01

Manganese-mercury thiocyanate, MnHg(SCN)4, crystal is considered to be an important organometallic nonlinear optical (NLO) material exhibiting higher thermal stability and second harmonic generation (SHG) efficiency. In order to understand the effect of Ca2+ as an impurity on the physicochemical properties, we have grown pure and Ca2+ doped (with a concentration of 1 mol%) MnHg(SCN)4 single crystals by the free evaporation of solvent method and characterized structurally, chemically, optically and electrically by adopting the available standard methods. Results obtained indicate that Ca2+ doping increases significantly the optical transmittance, SHG efficiency, and DC electrical conductivity and decreases the dielectric loss factor (improves the crystal quality), and AC electrical conductivity without distorting the crystal structure. Also, the low dielectric constant (εr) values observed for both the pure and doped crystals considered at near ambient temperatures indicate the possibility of using these crystals not only as potential NLO materials (useful in the photonics industry) but also as promising low εr value dielectric materials (useful in the microelectronics industry).

Characterization of deliberately nickel-doped silicon wafers and solar cells. [microstructure, electrical properties, and energy conversion efficiency

NASA Technical Reports Server (NTRS)

Salama, A. M.

1980-01-01

Microstructural and electrical evaluation tests were performed on nickel-doped p-type silicon wafers before and after solar cell fabrication. The concentration levels of nickel in silicon were 5 x 10 to the 14th power, 4 x 10 to the 15th power, and 8 x 10 to the 15th power atoms/cu cm. It was found that nickel precipitated out during the growth process in all three ingots. Clumps of precipitates, some of which exhibited star shape, were present at different depths. If the clumps are distributed at depths approximately 20 micron apart and if they are larger than 10 micron in diameter, degradation occurs in solar cell electrical properties and cell conversion efficiency. The larger the size of the precipitate clump, the greater the degradation in solar cell efficiency. A large grain boundary around the cell effective area acted as a gettering center for the precipitates and impurities and caused improvement in solar cell efficiency. Details of the evaluation test results are given.

Radial electric field in JET advanced tokamak scenarios with toroidal field ripple

DOE Office of Scientific and Technical Information (OSTI.GOV)

Crombe, K.; Andrew, Y.; Biewer, Theodore M

A dedicated campaign has been run on JET to study the effect of toroidal field (TF) ripple on plasma performance. Radial electric field measurements from experiments on a series of plasmas with internal transport barriers (ITBs) and different levels of ripple amplitude are presented. They have been calculated from charge exchange measurements of impurity ion temperature, density and rotation velocity profiles, using the force balance equation. The ion temperature and the toroidal and poloidal rotation velocities are compared in plasmas with both reversed and optimized magnetic shear profiles. Poloidal rotation velocity (v ) in the ITB region is measured tomore » be of the order of a few tens of km s 1, significantly larger than the neoclassical predictions. Increasing levels of the TF ripple are found to decrease the ion temperature gradient in the ITB region, a measure for the quality of the ITB, and the maximum value of v is reduced. The poloidal rotation term dominates in the calculations of the total radial electric field (Er), with the largest gradient in Er measured in the radial region coinciding with the ITB.« less

Annealing of Heavily Boron-Doped Silicon: Effect on Electrical and Thermoelectric Properties.

PubMed

Zulian, Laura; Segrado, Francesco; Narducci, Dario

2017-03-01

In previous studies it was shown that heavily boron-doped nanocrystalline silicon submitted to thermal treatments at temperatures ≥800 °C is characterized by an anomalously high thermoelectric power factor. Its enhanced performances were ascribed to the formation of SiBx precipitates at grain boundary, leading to the formation of potential barriers that filter out low-energy carriers, then causing a simultaneous enhancement of the Seebeck coefficient and of the electrical conductivity. To further investigate the effect of thermal treatment on boron-doped nanocrystalline silicon, samples were submitted to a host of annealing processes or of sequences of them at temperatures between 900 and 1000 °C and for various amounts of time. Electrical conductivity and Hall effect measurements were carried out after each thermal treatment over the temperature range 20–300 K. They provided evidence of the formation of an impurity band, and of hopping conduction at very low temperatures. Hall resistivity data versus temperature provided therefore important insights in the electronic structure of the system, which will enable a more complete understanding of the factors ruling energy filtering in this class of materials.

Some challenging points in the identification of defects in floating-zone n-type silicon irradiated with 8 and 15 MeV protons

DOE Office of Scientific and Technical Information (OSTI.GOV)

Emtsev, V. V., E-mail: emtsev@mail.ioffe.ru; Abrosimov, N. V.; Kozlovskii, V. V.

2016-10-15

Electrical properties of defects formed in n-Si(FZ) following 8 and 15 MeV proton irradiation are investigated by Hall effect measurements over the wide temperature range of T ≈ 25 to 300 K. Close attention is paid to the damaging factor of proton irradiation, leaving aside passivation effects by hydrogen. The concept of defect production and annealing processes being accepted in the literature so far needs to be reconsidered. Contrary to expectations the dominant impurity-related defects produced by MeV protons turn out to be electrically neutral in n-type material. Surprisingly, radiation acceptors appear to play a minor role. Annealing studies ofmore » irradiated samples of such complex defects as a divacancy tied to a phosphorus atom and a vacancy tied to two phosphorus atoms. The latter defect features high thermal stability. Identification of the dominant neutral donors, however, remains unclear and will require further, more detailed, studies. The electric properties of the material after proton irradiation can be completely restored at T = 800°C.« less

Experimental and Computational Evidence of Highly Active Fe Impurity Sites on the Surface of Oxidized Au for the Electrocatalytic Oxidation of Water in Basic Media

DOE PAGES

Klaus, Shannon; Trotochaud, Lena; Cheng, Mu-Jeng; ...

2015-10-22

Addition of Fe to Ni- and Co-based (oxy)hydroxides has been shown to enhance the activity of these materials for electrochemical oxygen evolution. Here we show that Fe cations bound to the surface of oxidized Au exhibit enhanced oxygen evolution reaction (OER) activity. We find that the OER activity increases with increasing surface concentration of Fe. Density functional theory analysis of the OER energetics reveals that oxygen evolution over Fe cations bound to a hydroxyl-terminated oxidized Au (Fe-Au 2O 3) occurs at an overpotential ~0.3V lower than over hydroxylated Au 2O 3 (0.82V). This finding agrees well with experimental observations andmore » is a consequence of the more optimal binding energetics of OER reaction intermediates at Fe cations bound to the surface of Au 2O 3. These findings suggest that the enhanced OER activity reported recently upon low-potential cycling of Au may be due to surface Fe impurities rather than to "superactive" Au(III) surfaquo species.« less

Convective flow effects on protein crystal growth

NASA Technical Reports Server (NTRS)

Rosenberger, Franz; Monaco, Lisa A.

1995-01-01

During the fourth semi-annual period under this grant we have pursued the following activities: (1) crystal growth morphology and kinetics studies with tetragonal lysozyme. These clearly revealed the influence of higher molecular weight protein impurities on interface shape; (2) characterization of the purity and further purification of lysozyme solutions. These efforts have, for the first time, resulted in lysozyme free of higher molecular weight components; (3) continuation of the salt repartitioning studies with Seikagaku lysozyme, which has a lower protein impurity content that Sigma stock. These efforts confirmed our earlier findings of higher salt contents in smaller crystals. However, less salt is in corporated into the crystals grown from Seikagaku stock. This strongly suggests a dependence of salt repartitioning on the concentration of protein impurities in lysozyme. To test this hypothesis, repartitioning studies with the high purity lysozyme prepared in-house will be begun shortly; (4) numerical modelling of the interaction between bulk transport and interface kinetics. These simulations have produced interface shapes which are in good agreement with out experimental observations; and (5) light scattering studies on under- and supersaturated lysozyme solutions. A consistent interpretation of the static and dynamic data leaves little doubt that pre-nucleation clusters, claimed to exist even in undersaturated solutions, are not present. The article: 'Growth morphology response to nutrient and impurity nonuniformities' is attached.

Effect of impurities and processing on silicon solar cells. Volume 1: Characterization methods for impurities in silicon and impurity effects data base

NASA Technical Reports Server (NTRS)

Hopkins, R. H.; Davis, J. R.; Rohatgi, A.; Campbell, R. B.; Blais, P. D.; Rai-Choudhury, P.; Stapleton, R. E.; Mollenkopf, H. C.; Mccormick, J. R.

1980-01-01

Two major topics are treated: methods to measure and evaluate impurity effects in silicon and comprehensive tabulations of data derived during the study. Discussions of deep level spectroscopy, detailed dark I-V measurements, recombination lifetime determination, scanned laser photo-response, conventional solar cell I-V techniques, and descriptions of silicon chemical analysis are presented and discussed. The tabulated data include lists of impurity segregation coefficients, ingot impurity analyses and estimated concentrations, typical deep level impurity spectra, photoconductive and open circuit decay lifetimes for individual metal-doped ingots, and a complete tabulation of the cell I-V characteristics of nearly 200 ingots.

In situ mobile subaquatic archaeometry evaluated by non-destructive Raman microscopy of gemstones lying under impure waters

NASA Astrophysics Data System (ADS)

Smith, David C.

2003-08-01

A series of laboratory simulations have been made in order to evaluate the credibility of carrying out physico-chemical analysis of cultural heritage items by Raman spectral fingerprinting using a mobile Raman microscope in situ under natural impure water in subaquatic or submarine conditions. Three different kinds of gemstone (zircon, microcline and sodalite) were successively placed under different kinds of impure water into which a low power microscope objective was immersed to eliminate the normal aerial pathway between the objective and the object to be analysed. According to the nature of the impurities (inorganic or organic, dissolved or suspended, transparent or coloured) the results obtained variously gave Raman band intensities stronger than, similar to or weaker than those of spectra obtained without water, i.e. in air. The significant point is that after only minor spectral treatment the less good spectra nevertheless yielded exploitable data with most, if not all, of the key Raman bands being detected. Thus the problems of fluorescence or peak absences under water are of a similar degree of magnitude to the other problems inherent with the Raman spectroscopic technique in aerial conditions, e.g. relative peak intensities varying with crystal orientation; peak positions varying with chemical composition. These results indicate that even if at certain sites of submerged cities or sunken ships, the combination of animal, vegetal, mineral and microbial impurities join together to inhibit or hinder the success of subaquatic or submarine archaeometry, there will certainly be other sites where such activity is indeed credible.

In situ mobile subaquatic archaeometry evaluated by non-destructive Raman microscopy of gemstones lying under impure waters.

PubMed

Smith, David C

2003-08-01

A series of laboratory simulations have been made in order to evaluate the credibility of carrying out physico-chemical analysis of cultural heritage items by Raman spectral fingerprinting using a mobile Raman microscope in situ under natural impure water in subaquatic or submarine conditions. Three different kinds of gemstone (zircon, microcline and sodalite) were successively placed under different kinds of impure water into which a low power microscope objective was immersed to eliminate the normal aerial pathway between the objective and the object to be analysed. According to the nature of the impurities (inorganic or organic, dissolved or suspended, transparent or coloured) the results obtained variously gave Raman band intensities stronger than, similar to or weaker than those of spectra obtained without water, i.e. in air. The significant point is that after only minor spectral treatment the less good spectra nevertheless yielded exploitable data with most, if not all, of the key Raman bands being detected. Thus the problems of fluorescence or peak absences under water are of a similar degree of magnitude to the other problems inherent with the Raman spectroscopic technique in aerial conditions, e.g. relative peak intensities varying with crystal orientation; peak positions varying with chemical composition. These results indicate that even if at certain sites of submerged cities or sunken ships, the combination of animal, vegetal, mineral and microbial impurities join together to inhibit or hinder the success of subaquatic or submarine archaeometry, there will certainly be other sites where such activity is indeed credible.

Suppression of Superfluid Density and the Pseudogap State in the Cuprates by Impurities

DOE PAGES

Erdenemunkh, Unurbat; Koopman, Brian; Fu, Ling; ...

2016-12-16

Here, we use scanning tunneling microscopy (STM) to study magnetic Fe impurities intentionally doped into the high-temperature superconductor Bi 2Sr 2CaCu 2O 8+δ. Our spectroscopic measurements reveal that Fe impurities introduce low-lying resonances in the density of states at Ω 1 ≈ 4 meV and Ω 2 ≈ 15 meV , allowing us to determine that, despite having a large magnetic moment, potential scattering of quasiparticles by Fe impurities dominates magnetic scattering. In addition, using high-resolution spatial characterizations of the local density of states near and away from Fe impurities, we detail the spatial extent of impurity-affected regions as wellmore » as provide a local view of impurity-induced effects on the superconducting and pseudogap states. Lastly, our studies of Fe impurities, when combined with a reinterpretation of earlier STM work in the context of a two-gap scenario, allow us to present a unified view of the atomic-scale effects of elemental impurities on the pseudogap and superconducting states in hole-doped cuprates; this may help resolve a previously assumed dichotomy between the effects of magnetic and nonmagnetic impurities in these materials.« less

Study of the structures of photodegradation impurities and pathways of photodegradation of cilnidipine by liquid chromatography/Q-Orbitrap mass spectrometry.

PubMed

Zeng, Hongxia; Wang, Fan; Zhu, Bingqi; Zhong, Weihui; Shan, Weiguang; Wang, Jian

2016-08-15

The structures of photodegradation impurities in cilnidipine were studied by liquid chromatography/Q-Orbitrap mass spectrometry (LC/Q-Orbitrap MS) for the further improvement of the official monographs in Pharmacopoeias. The complete fragmentation patterns of impurities were investigated to obtain their structural information. Two pathways of photodegradation of cilnidipine were also explored to clarify the source of impurities in cilnidipine. Chromatographic separation was performed on a Boston Group C18 column (250 mm × 4.6 mm, 5 μm). The mobile phase consisted of acetonitrile/H2 O at a ratio of 75:25 (v/v). In order to determine the m/z values of the molecular ions and formulas of all detected impurities, full scan LC/MS in both positive and negative ion modes was firstly performed using a Thermo LC system coupled with a Q-Orbitrap high-resolution mass spectrometer. LC/MS/MS analysis was also carried out on target compounds to obtain as much structural information as possible. Five novel photodegradation impurities of cilnidipine were separated and identified based on the high-resolution MS/MS data. Impurity III was synthesized and its structure was confirmed by (1) H-NMR and (13) C-NMR data. Two photodegradation pathways to produce different photodegradation impurities were also revealed in this study. Among those impurities, impurities II and III were the main impurities which existed in the cilnidipine available on the market. Impurity II (the Z-isomer) was mainly produced when cilnidipine powder was directly exposed to daylight while impurity III (containing a piperidine ring) was mainly produced when cilnidipine was exposed to daylight in an ethanolic solution. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

The Effects of Impurities on Protein Crystal Growth and Nucleation: A Preliminary Study

NASA Technical Reports Server (NTRS)

Schall, Constance A.

1998-01-01

Kubota and Mullin (1995) devised a simple model to account for the effects of impurities on crystal growth of small inorganic and organic molecules in aqueous solutions. Experimentally, the relative step velocity and crystal growth of these molecules asymptotically approach zero or non-zero values with increasing concentrations of impurities. Alternatively, the step velocity and crystal growth can linearly approach zero as the impurity concentration increases. The Kubota-Mullin model assumes that the impurity exhibits Langmuirian adsorption onto the crystal surface. Decreases in step velocities and subsequent growth rates are related to the fractional coverage (theta) of the crystal surface by adsorbed impurities; theta = Kx / (I +Kx), x = mole fraction of impurity in solution. In the presence of impurities, the relative step velocity, V/Vo, and the relative growth rate of a crystal face, G/Go, are proposed to conform to the following equations: V/Vo approx. = G/Go = 1 - (alpha)(theta). The adsorption of impurity is assumed to be rapid and in quasi-equilibrium with the crystal surface sites available. When the value of alpha, an effectiveness factor, is one the growth will asymptotically approach zero with increasing concentrations of impurity. At values less than one, growth approaches a non-zero value asymptotically. When alpha is much greater than one, there will be a linear relationship between impurity concentration and growth rates. Kubota and Mullin expect alpha to decrease with increasing supersaturation and shrinking size of a two dimensional nucleus. It is expected that impurity effects on protein crystal growth will exhibit behavior similar to that of impurities in small molecule growth. A number of proteins were added to purified chicken egg white lysozyme, the effect on crystal nucleation and growth assessed.

Integrated Approach for Understanding Impurity Adsorption on Calcite: Mechanisms for Micro-scale Surface Phenomena

NASA Astrophysics Data System (ADS)

Vinson, M. D.; Arvidson, R. S.; Luttge, A.

2004-12-01

A longstanding goal within the field of environmental geochemistry has been the development of a fundamental understanding of the kinetics that governs the interactions of solution-borne impurities with the calcite mineral surface. Recent dissolution experiments using Mg2+, Mn2+, and Sr2+ have shown distinct differences in the interaction of these three impurity ions with the calcite crystal surface. Because the dissolution of carbonate minerals in soils and sediments influences the uptake and migration of groundwater contaminants, a rigorous understanding of the basic processes that occur at the mineral-fluid interface is necessary. We have used vertical scanning interferometry (VSI) coupled with scanning probe microscopy (SPM) to examine calcite crystal dissolution in the presence of Mg2+, Mn2+, and Sr2+, all known dissolution inhibitors and possible groundwater contaminants. We have studied the kinetics of impurity-crystal interactions at a pH 8.8, and in the presence or absence of dissolved inorganic carbon. Our data show that, when individually introduced into undersaturated solutions, Mg2+ and Mn2+ are shown to activate the calcite crystal surface, resulting in enhanced etch pit nucleation rates and step density. Conversely, Sr2+ is shown to cause passivation of the calcite surface. The effect is intensified when solutions are saturated with respect to atmospheric CO2. Results indicate that aqueous CO32- (or HCO3-) may influence how aqueous metal ionic complexes interact with the crystal surface. Furthermore, the influence is differently exhibited, and passivation or activation ultimately depends on the properties of the diffusing metal ion or metal-hydroxide complex. These properties include for example, differences in hydration enthalpy, the effective ionic radius, and electron shell configuration.

Liquid lithium loop system to solve challenging technology issues for fusion power plant

DOE PAGES

Ono, Masayuki; Majeski, Richard P.; Jaworski, Michael A.; ...

2017-07-12

Here, steady-state fusion power plant designs present major divertor technology challenges, including high divertor heat flux both in steady-state and during transients. In addition to these concerns, there are the unresolved technology issues of long term dust accumulation and associated tritium inventory and safety issues. It has been suggested that radiation-based liquid lithium (LL) divertor concepts with a modest lithium-loop could provide a possible solution for these outstanding fusion reactor technology issues, while potentially improving reactor plasma performance. The application of lithium (Li) in NSTX resulted in improved H-mode confinement, H-mode power threshold reduction, and reduction in the divertor peakmore » heat flux while maintaining essentially Li-free core plasma operation even during H-modes. These promising results in NSTX and related modeling calculations motivated the radiative liquid lithium divertor (RLLD) concept and its variant, the active liquid lithium divertor concept (ARLLD), taking advantage of the enhanced or non-coronal Li radiation in relatively poorly confined divertor plasmas. To maintain the LL purity in a 1 GW-electric class fusion power plant, a closed LL loop system with a modest circulating capacity of ~ 1 liter/second (l/sec) is envisioned. We examined two key technology issues: 1) dust or solid particle removal and 2) real time recovery of tritium from LL while keeping the tritium inventory level to an acceptable level. By running the LL-loop continuously, it can carry the dust particles and impurities generated in the vacuum vessel to the outside where the dust / impurities can be removed by relatively simple dust filter, cold trap and/or centrifugal separation systems. With ~ 1 l/sec LL flow, even a small 0.1% dust content by weight (or 0.5 g per sec) suggests that the LL-loop could carry away nearly 16 tons of dust per year. In a 1 GW-electric (or ~ 3 GW fusion power) fusion power plant, about 0.5 g / sec of tritium is needed to maintain the fusion fuel cycle assuming ~ 1 % fusion burn efficiency. It appears feasible to recover tritium (T) in real time from LL while maintaining an acceptable T inventory level. Laboratory tests are being conducted to investigate T recovery feasibility with the surface cold trap (SCT) concept.« less

Liquid lithium loop system to solve challenging technology issues for fusion power plant

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ono, Masayuki; Majeski, Richard P.; Jaworski, Michael A.

Here, steady-state fusion power plant designs present major divertor technology challenges, including high divertor heat flux both in steady-state and during transients. In addition to these concerns, there are the unresolved technology issues of long term dust accumulation and associated tritium inventory and safety issues. It has been suggested that radiation-based liquid lithium (LL) divertor concepts with a modest lithium-loop could provide a possible solution for these outstanding fusion reactor technology issues, while potentially improving reactor plasma performance. The application of lithium (Li) in NSTX resulted in improved H-mode confinement, H-mode power threshold reduction, and reduction in the divertor peakmore » heat flux while maintaining essentially Li-free core plasma operation even during H-modes. These promising results in NSTX and related modeling calculations motivated the radiative liquid lithium divertor (RLLD) concept and its variant, the active liquid lithium divertor concept (ARLLD), taking advantage of the enhanced or non-coronal Li radiation in relatively poorly confined divertor plasmas. To maintain the LL purity in a 1 GW-electric class fusion power plant, a closed LL loop system with a modest circulating capacity of ~ 1 liter/second (l/sec) is envisioned. We examined two key technology issues: 1) dust or solid particle removal and 2) real time recovery of tritium from LL while keeping the tritium inventory level to an acceptable level. By running the LL-loop continuously, it can carry the dust particles and impurities generated in the vacuum vessel to the outside where the dust / impurities can be removed by relatively simple dust filter, cold trap and/or centrifugal separation systems. With ~ 1 l/sec LL flow, even a small 0.1% dust content by weight (or 0.5 g per sec) suggests that the LL-loop could carry away nearly 16 tons of dust per year. In a 1 GW-electric (or ~ 3 GW fusion power) fusion power plant, about 0.5 g / sec of tritium is needed to maintain the fusion fuel cycle assuming ~ 1 % fusion burn efficiency. It appears feasible to recover tritium (T) in real time from LL while maintaining an acceptable T inventory level. Laboratory tests are being conducted to investigate T recovery feasibility with the surface cold trap (SCT) concept.« less

Liquid lithium loop system to solve challenging technology issues for fusion power plant

NASA Astrophysics Data System (ADS)

Ono, M.; Majeski, R.; Jaworski, M. A.; Hirooka, Y.; Kaita, R.; Gray, T. K.; Maingi, R.; Skinner, C. H.; Christenson, M.; Ruzic, D. N.

2017-11-01

Steady-state fusion power plant designs present major divertor technology challenges, including high divertor heat flux both in steady-state and during transients. In addition to these concerns, there are the unresolved technology issues of long term dust accumulation and associated tritium inventory and safety issues. It has been suggested that radiation-based liquid lithium (LL) divertor concepts with a modest lithium-loop could provide a possible solution for these outstanding fusion reactor technology issues, while potentially improving reactor plasma performance. The application of lithium (Li) in NSTX resulted in improved H-mode confinement, H-mode power threshold reduction, and reduction in the divertor peak heat flux while maintaining essentially Li-free core plasma operation even during H-modes. These promising results in NSTX and related modeling calculations motivated the radiative liquid lithium divertor concept and its variant, the active liquid lithium divertor concept, taking advantage of the enhanced or non-coronal Li radiation in relatively poorly confined divertor plasmas. To maintain the LL purity in a 1 GW-electric class fusion power plant, a closed LL loop system with a modest circulating capacity of ~1 l s-1 is envisioned. We examined two key technology issues: (1) dust or solid particle removal and (2) real time recovery of tritium from LL while keeping the tritium inventory level to an acceptable level. By running the LL-loop continuously, it can carry the dust particles and impurities generated in the vacuum vessel to the outside where the dust/impurities can be removed by relatively simple dust filter, cold trap and/or centrifugal separation systems. With ~1 l s-1 LL flow, even a small 0.1% dust content by weight (or 0.5 g s-1) suggests that the LL-loop could carry away nearly 16 tons of dust per year. In a 1 GW-electric (or ~3 GW fusion power) fusion power plant, about 0.5 g s-1 of tritium is needed to maintain the fusion fuel cycle assuming ~1% fusion burn efficiency. It appears feasible to recover tritium (T) in real time from LL while maintaining an acceptable T inventory level. Laboratory tests are being conducted to investigate T recovery feasibility with the surface cold trap concept.

Incorporation of impurity to a tetragonal lysozyme crystal

NASA Astrophysics Data System (ADS)

Kurihara, Kazuo; Miyashita, Satoru; Sazaki, Gen; Nakada, Toshitaka; Durbin, Stephen D.; Komatsu, Hiroshi; Ohba, Tetsuhiko; Ohki, Kazuo

1999-01-01

Concentration of a phosphor-labeled impurity (ovalbumin) incorporated into protein (hen egg white lysozyme) crystals during growth was measured by fluorescence.This technique enabled us to measure the local impurity concentration in a crystal quantitatively. Impurity concentration increased with growth rate, which could not be explained by two conventional models (equilibrium adsorption model and Burton-Prim-Slichter model); a modified model is proposed. Impurity concentration also increased with the pH of the solution. This result is discussed considering the electrostatic interaction between the impurity and the crystallizing species.

The effect of magnetic field on the impurity binding energy of shallow donor impurities in a Ga1−xInxNyAs1−y/GaAs quantum well

PubMed Central

2012-01-01

Using a variational approach, we have investigated the effects of the magnetic field, the impurity position, and the nitrogen and indium concentrations on impurity binding energy in a Ga1−xInxNyAs1−y/GaAs quantum well. Our calculations have revealed the dependence of impurity binding on the applied magnetic field, the impurity position, and the nitrogen and indium concentrations. PMID:23095253

Microscopic Distributions of Defect Luminescence From Subgrain Boundaries in Multicrystalline Silicon Wafers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nguyen, Hieu T.; Jensen, Mallory A.; Li, Li

We investigate the microscopic distributions of sub-band-gap luminescence emission (the so-called D-lines D1/D2/D3/D4) and the band-to-band luminescence intensity, near recombination-active sub-grain boundaries in multicrystalline silicon wafers for solar cells. We find that the sub-band-gap luminescence from decorating defects/impurities (D1/D2) and from intrinsic dislocations (D3/D4) have distinctly different spatial distributions, and are asymmetric across the sub-grain boundaries. The presence of D1/D2 is correlated with a strong reduction in the band-to-band luminescence, indicating a higher recombination activity. In contrast, D3/D4 emissions are not strongly correlated with the band-to-band intensity. Based on spatially-resolved, synchrotron-based micro-X-ray fluorescence measurements of metal impurities, we confirm thatmore » high densities of metal impurities are present at locations with strong D1/D2 emission but low D3/D4 emission. Finally, we show that the observed asymmetry of the sub-band-gap luminescence across the sub-grain boundaries is due to their inclination below the wafer surface. Based on the luminescence asymmetries, the sub-grain boundaries are shown to share a common inclination locally, rather than be orientated randomly.« less

Quantum interference on electron scattering in graphene by carbon impurities in underlying h -BN

NASA Astrophysics Data System (ADS)

Kaneko, Tomoaki; Koshino, Mikito; Saito, Riichiro

2017-03-01

Electronic structures and transport properties of graphene on h -BN with carbon impurities are investigated by first-principles calculation and the tight-binding model. We show that the coupling between the impurity level and the graphene's Dirac cone sensitively depends on the impurity position, and in particular, it nearly vanishes when the impurity is located right below the center of the six membered ring of graphene. The Bloch phase factor at the Brillouin zone edge plays a decisive role in the cancellation of the hopping integrals. The impurity position dependence on the electronic structures of graphene on h -BN is investigated by the first-principles calculation, and its qualitative feature is well explained by a tight-binding model with graphene and a single impurity site. We also propose a simple one-dimensional chain-impurity model to analytically describe the role of the quantum interference in the position-dependent coupling.

Impurity-limited resistance and phase interference of localized impurities under quasi-one dimensional nano-structures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sano, Nobuyuki, E-mail: sano@esys.tsukuba.ac.jp

2015-12-28

The impurity-limited resistance and the effect of the phase interference among localized multiple impurities in the quasi-one dimensional (quasi-1D) nanowire structures are systematically investigated under the framework of the scattering theory. We derive theoretical expressions of the impurity-limited resistance in the nanowire under the linear response regime from the Landauer formula and from the Boltzmann transport equation (BTE) with the relaxation time approximation. We show that the formula from the BTE exactly coincides with that from the Landauer approach with the weak-scattering limit when the energy spectrum of the in-coming electrons from the reservoirs is narrow and, thus, point outmore » a possibility that the distinction of the impurity-limited resistances derived from the Landauer formula and that of the BTE could be made clear. The derived formulas are applied to the quasi-1D nanowires doped with multiple localized impurities with short-range scattering potential and the validity of various approximations on the resistance are discussed. It is shown that impurity scattering becomes so strong under the nanowire structures that the weak-scattering limit breaks down in most cases. Thus, both phase interference and phase randomization simultaneously play a crucial role in determining the impurity-limited resistance even under the fully coherent framework. When the impurity separation along the wire axis direction is small, the constructive phase interference dominates and the resistance is much greater than the average resistance. As the separation becomes larger, however, it approaches the series resistance of the single-impurity resistance due to the phase randomization. Furthermore, under the uniform configuration of impurities, the space-average resistance of multiple impurities at room temperature is very close to the series resistance of the single-impurity resistance, and thus, each impurity could be regarded as an independent scattering center. The physical origin of this “self-averaging” under the fully coherent environments is attributed to the broadness of the energy spectrum of the in-coming electrons from the reservoirs.« less

Study of radioactive impurities in neutron transmutation doped germanium

NASA Astrophysics Data System (ADS)

Mathimalar, S.; Dokania, N.; Singh, V.; Nanal, V.; Pillay, R. G.; Shrivastava, A.; Jagadeesan, K. C.; Thakare, S. V.

2015-02-01

A program to develop low temperature (mK) sensors with neutron transmutation doped Ge for rare event studies with a cryogenic bolometer has been initiated. For this purpose, semiconductor grade Ge wafers are irradiated with thermal neutron flux from Dhruva reactor at Bhabha Atomic Research Centre (BARC), Mumbai. Spectroscopic studies of irradiated samples have revealed that the environment of the capsule used for irradiating the sample leads to significant levels of 65Zn, 110mAg and 182Ta impurities, which can be reduced by chemical etching of approximately 50 μm thick surface layer. From measurements of the etched samples in the low background counting setup, activity due to trace impurities of 123Sb in bulk Ge is estimated to be 1 Bq / g after irradiation. These estimates indicate that in order to use the NTD Ge sensors for rare event studies, a cooldown period of 2 years would be necessary to reduce the radioactive background to ≤ 1 mBq / g.

Effect of an InxGa1-xAs-GaAs blocking heterocathode metal contact on the GaAs TED operation

NASA Astrophysics Data System (ADS)

Arkusha, Yu. V.; Prokhorov, E. D.; Storozhenko, I. P.

2004-09-01

The frequency dependence of the generation efficiency of an mm- -nn:In:InxGaGa1-1-xAs- As-nn:GaAs-:GaAs-nn++:GaAs TED with the 2.5-mm long active region is calculated. The optimum values - which yield the diode maximum generation efficiency - for the :GaAs TED with the 2.5-mm long active region is calculated. The optimum values - which yield the diode maximum generation efficiency - for the nn:In:InxGaGa1-1-xAs cathode length, the cathode concentration of ionized impurities, and the height of the potential barrier on metal contact are determined.As cathode length, the cathode concentration of ionized impurities, and the height of the potential barrier on metal contact are determined.

Numerical renormalization group calculation of impurity internal energy and specific heat of quantum impurity models

NASA Astrophysics Data System (ADS)

Merker, L.; Costi, T. A.

2012-08-01

We introduce a method to obtain the specific heat of quantum impurity models via a direct calculation of the impurity internal energy requiring only the evaluation of local quantities within a single numerical renormalization group (NRG) calculation for the total system. For the Anderson impurity model we show that the impurity internal energy can be expressed as a sum of purely local static correlation functions and a term that involves also the impurity Green function. The temperature dependence of the latter can be neglected in many cases, thereby allowing the impurity specific heat Cimp to be calculated accurately from local static correlation functions; specifically via Cimp=(∂Eionic)/(∂T)+(1)/(2)(∂Ehyb)/(∂T), where Eionic and Ehyb are the energies of the (embedded) impurity and the hybridization energy, respectively. The term involving the Green function can also be evaluated in cases where its temperature dependence is non-negligible, adding an extra term to Cimp. For the nondegenerate Anderson impurity model, we show by comparison with exact Bethe ansatz calculations that the results recover accurately both the Kondo induced peak in the specific heat at low temperatures as well as the high-temperature peak due to the resonant level. The approach applies to multiorbital and multichannel Anderson impurity models with arbitrary local Coulomb interactions. An application to the Ohmic two-state system and the anisotropic Kondo model is also given, with comparisons to Bethe ansatz calculations. The approach could also be of interest within other impurity solvers, for example, within quantum Monte Carlo techniques.

Behavior of some singly ionized, heavy-ion impurities during compression in a theta-pinch plasma

NASA Technical Reports Server (NTRS)

Jalufka, N. W.

1975-01-01

The introduction of a small percentage of an impurity gas containing a desired element into a theta-pinch plasma is a standard procedure used to investigate the spectra and atomic processes of the element. This procedure assumes that the mixing ratio of impurity-to-fill gases remains constant during the collapse and heating phase. Spectroscopic investigations of the constant-mixing-ratio assumption for a 2% neon and argon impurity verifies the assumption only for the neon impurity. However, for the 2% argon impurity, only 20 to 25% of the argon is in the high-temperature compressed plasma. It is concluded that the constant-mixing-ratio assumption is not applicable to the argon impurity.

Inclusion behavior of Cs, Sr, and Ba impurities in LiCl crystal formed by layer-melt crystallization: Combined first-principles calculation and experimental study

NASA Astrophysics Data System (ADS)

Choi, Jung-Hoon; Cho, Yung-Zun; Lee, Tae-Kyo; Eun, Hee-Chul; Kim, Jun-Hong; Kim, In-Tae; Park, Geun-Il; Kang, Jeung-Ku

2013-05-01

The pyroprocessing which uses a dry method to recycle spent oxide fuel generates a waste LiCl salt containing radioactive elements. To reuse LiCl salt, the radioactive impurities has to be separated by the purification process such as layer-melt crystallization. To enhance impurity separation efficiency, it is important to understand the inclusion mechanism of impurities within the LiCl crystal. Herein, we report the inclusion properties of impurities in LiCl crystals. First of all, the substitution enthalpies of Cs+, Sr2+, and Ba2+ impurities with 0-6 at% in LiCl crystal were evaluated via first-principles calculations. Also, the molten LiCl containing 1 mol of Cs+, Sr2+, and Ba2+ impurities was crystallized through the experimental layer-melt crystallization method. These substitution enthalpy and experiment clarify that a high substitution enthalpy should result in the high separation efficiency for an impurity. Furthermore, we find that the electron density map gives a clue to the mechanism for inclusion of impurities into LiCl crystal.

Sulfur Tolerant Solid Oxide Fuel Cell for Coal Syngas Application: Experimental Study on Diverse Impurity Effects and Fundamental Modeling of Electrode Kinetics

NASA Astrophysics Data System (ADS)

Gong, Mingyang

With demand over green energy economy, fuel cells have been developed as a promising energy conversion technology with higher efficiency and less emission. Solid oxide fuel cells (SOFC) can utilize various fuels in addition to hydrogen including coal derived sygas, and thus are favored for future power generation due to dependence on coal in electrical industry. However impurities such as sulfur and phosphorous present in coal syngas in parts per million (p.p.m.) levels can severely poison SOFC anode typically made of Ni/yttria-stabilized-zirconia (Ni-YSZ) and limit SOFC applicability in economically derivable fuels. The focus of the research is to develop strategy for application of high performance SOFC in coal syngas with tolerance against trace impurities such as H2S and PH3. To realize the research goal, the experimental study on sulfur tolerant anode materials and examination of various fuel impurity effects on SOFC anode are combined with electrochemical modeling of SOFC cathode kinetics in order to benefit design of direct-coal-syngas SOFC. Tolerant strategy for SOFC anode against sulfur is studied by using alternative materials which can both mitigate sulfur poisoning and function as active anode components. The Ni-YSZ anode was modified by incorporation of lanthanum doped ceria (LDC) nano-coatings via impregnation. Cell test in coal syngas containing 20 ppm H2S indicated the impregnated LDC coatings inhibited on-set of sulfur poisoning by over 10hrs. Cell analysis via X-ray photon spectroscopy (XPS), X-ray diffraction (XRD) and electrochemistry revealed LDC coatings reacted with H2S via chemisorptions, resulting in less sulfur blocking triple--phase-boundary and minimized performance loss. Meanwhile the effects of PH3 impurity on SOFC anode is examined by using Ni-YSZ anode supported SOFC. Degradation of cell is found to be irreversible due to adsorption of PH3 on TPB and further reaction with Ni to form secondary phases with low melting point. The feasibility of mixed ionic and electronic conductive (MIEC) metal oxides with perovskite structure (ABO3) as alternative ceramic SOFC anodes in coal syngas has been examined by PH3 exposure test. The study found although perovskite anodes can be generally more tolerant against H2S, further examination on PH3 tolerance is indispensable before their extensive application in coal syngas. On the theoretical end it is this research's initiative that oxygen reduction reaction at mixed ionic and electronic conductive (MIEC) cathode is a key factor controlling SOFC performance at intermediate temperature (700˜850°C). It is generally recognized that the overall charge-transfer process could occur through both surface pathway at triple-phase boundary (3PB) and bulk pathway at electrolyte/cathode interface (2PB). A modified one-dimensional model is thus developed to predict defect evolution of MIEC cathode under overpotential by incorporating multi-step charge-transfer into the bi-pathway continuum model. Finite volume control method is applied to obtain solutions for the model. The simulation predicted kinetics transition from 3PB control to 2PB control as cathodic overpotential stepping from -0.2V to -0.4V, depending on the material properties parameters. Meanwhile significant activation behavior of the MIEC electrode was also observed as indicated by extension of reaction region towards gas-exposed oxide surface. This model addressed contribution from electrochemical-controlled rate-limiting steps (RLSs) on the reduction kinetics, and identified the role played by multiple material property parameters such as surface oxygen ion concentration and bulk vacancy concentration on the kinetics transition. Combined academic knowledge gained through experimental investigation and theoretical simulation in this research would benefit the future design, development and application strategy of high-performance SOFC in coal syngas fuels.

Modeling and simulating vortex pinning and transport currents for high temperature superconductors

NASA Astrophysics Data System (ADS)

Sockwell, K. Chad

Superconductivity is a phenomenon characterized by two hallmark properties, zero electrical resistance and the Meissner effect. These properties give great promise to a new generation of resistance free electronics and powerful superconducting magnets. However this possibility is limited by the extremely low critical temperature the superconductors must operate under, typically close to 0K. The recent discovery of high temperature superconductors has brought the critical temperature closer to room temperature than ever before, making the realization of room temperature superconductivity a possibility. Simulations of superconducting technology and materials will be necessary to usher in the new wave of superconducting electronics. Unfortunately these new materials come with new properties such as effects from multiple electron bands, as is the case for magnesium diboride. Moreover, we must consider that all high temperature superconductors are of a Type II variety, which possess magnetic tubes of flux, known as vortices. These vortices interact with transport currents, creating an electrical resistance through a process known as flux flow. Thankfully this process can be prevented by placing impurities in the superconductor, pinning the vortices, making vortex pinning a necessary aspect of our model. At this time there are no other models or simulations that are aimed at modeling vortex pinning, using impurities, in two-band materials. In this work we modify an existing Ginzburg-Landau model for two-band superconductors and add the ability to model normal inclusions (impurities) with a new approach which is unique to the two-band model. Simulations in an attempt to model the material magnesium diboride are also presented. In particular simulations of vortex pinning and transport currents are shown using the modified model. The qualitative properties of magnesium diboride are used to validate the model and its simulations. One main goal from the computational end of the simulations is to enlarge the domain size to produce more realistic simulations that avoid boundary pinning effects. In this work we also implement the numerical software library Trilinos in order to parallelize the simulation to enlarge the domain size. Decoupling methods are also investigated with a goal of enlarging the domain size as well. The One-Band Ginzburg-Landau model serves as a prototypical problem in this endeavor and the methods shown that enlarge the domain size can be easily implemented in the two-band model.

Sub-micron elastic property characterization of materials using a near-field scanning optical microscope

NASA Astrophysics Data System (ADS)

Blodgett, David W.; Spicer, James B.

2001-12-01

The ability to characterize the sub-surface mechanical properties of a bulk or thin film material at the sub-micron level has applications in the microelectronics and thin film industries. In the microelectronics industry, with the decrease of line widths and the increase of component densities, sub-surface voids have become increasingly detrimental. Any voids along an integrated circuit (IC) line can lead to improper electrical connections between components and can cause failure of the device. In the thin film industry, the detection of impurities is also important. Any impurities can detract from the film's desired optical, electrical, or mechanical properties. Just as important as the detection of voids and impurities, is the measurement of the elastic properties of a material on the nanometer scale. These elastic measurements provide insight into the microstructural properties of the material. We have been investigating a technique that couples the high-resolution surface imaging capabilities of the apertureless near-field scanning optical microscope (ANSOM) with the sub-surface characterization strengths of high-frequency ultrasound. As an ultrasonic wave propagates, the amplitude decreases due to geometrical spreading, attenuation from absorption, and scattering from discontinuities. Measurement of wave speeds and attenuation provides the information needed to quantify the bulk or surface properties of a material. The arrival of an ultrasonic wave at or along the surface of a material is accompanied with a small surface displacement. Conventional methods for the ultrasound detection rely on either a contact transducer or optical technique (interferometric, beam deflection, etc.). However, each of these methods is limited by the spatial resolution dictated by the detection footprint. As the footprint size increases, variations across the ultrasonic wavefront are effectively averaged, masking the presence of any nanometer-scale sub-surface or surface mechanical property variations. The use of an ANSOM for sensing ultrasonic wave arrivals reduces the detection footprint allowing any nanometer scale variations in the microstructure of a material to be detected. In an ANSOM, the ultrasonic displacement is manifested as perturbations on the near-field signal due to the small variations in the tip-sample caused by the wave arrival. Due to the linear dependence of the near-field signal on tip-sample separation, these perturbations can be interpreted using methods identical to those for conventional ultrasonic techniques. In this paper, we report results using both contact transducer (5 MHz) and laser-generated ultrasound.

Amending the Structure of Renewable Carbon from Biorefinery Waste-Streams for Energy Storage Applications.

PubMed

Ho, Hoi Chun; Goswami, Monojoy; Chen, Jihua; Keum, Jong K; Naskar, Amit K

2018-05-29

Biorefineries produce impure sugar waste streams that are being underutilized. By converting this waste to a profitable by-product, biorefineries could be safeguarded against low oil prices. We demonstrate controlled production of useful carbon materials from the waste concentrate via hydrothermal synthesis and carbonization. We devise a pathway to producing tunable, porous spherical carbon materials by modeling the gross structure formation and developing an understanding of the pore formation mechanism utilizing simple reaction principles. Compared to a simple hydrothermal synthesis from sugar concentrate, emulsion-based synthesis results in hollow spheres with abundant microporosity. In contrast, conventional hydrothermal synthesis produces solid beads with micro and mesoporosity. All the carbonaceous materials show promise in energy storage application. Using our reaction pathway, perfect hollow activated carbon spheres can be produced from waste sugar in liquid effluence of biomass steam pretreatment units. The renewable carbon product demonstrated a desirable surface area of 872 m 2 /g and capacitance of up to 109 F/g when made into an electric double layer supercapacitor. The capacitor exhibited nearly ideal capacitive behavior with 90.5% capacitance retention after 5000 cycles.

Realizing luminescent downshifting in ZnO thin films by Ce doping with enhancement of photocatalytic activity

NASA Astrophysics Data System (ADS)

Narayanan, Nripasree; Deepak, N. K.

2018-04-01

ZnO thin films doped with Ce at different concentration were deposited on glass substrates by spray pyrolysis technique. XRD analysis revealed the phase purity and polycrystalline nature of the films with hexagonal wurtzite geometry and the composition analysis confirmed the incorporation of Ce in the ZnO lattice in the case of doped films. Crystalline quality and optical transmittance diminished while electrical conductivity enhanced with Ce doping. Ce doping resulted in a red-shift of optical energy gap due to the downshift of the conduction band minimum after merging with Ce related impurity bands formed below the conduction band in the forbidden gap. In the room temperature photoluminescence spectra, UV emission intensity of the doped films decreased while the intensity of the visible emission band increased drastically implying the degradation in crystallinity as well as the incorporation of defect levels capable of luminescence downshifting. Ce doping showed improvement in photocatalytic efficiency by effectively trapping the free carriers and then transferring for dye degradation. Thus Ce doped ZnO thin films are capable of acting as luminescent downshifters as well as efficient photocatalysts.

Metal sulfide for battery applications

NASA Astrophysics Data System (ADS)

Guidotti, Ronald A.

1988-08-01

A number of metal sulfides can be used in batteries as a cathode (reducible) material as part of an electrochemical couple to provide energy. There are a number of physical and chemical characteristics that can be evaluated for screening potential candidates for use in batteries. These include: cell potential vs. Li, thermal and chemical stability, electrical conductivity, allotropic form (phase), reaction kinetics during discharge, type of discharge mechanism, and material rechargeability. These are reviewed in general, with emphasis on sulfides of copper, iron, and molybdenum which are currently being used as cathodes in Li and Li-alloy batteries. The presence of impurities can adversely impact performance when naturally occurring sulfide minerals are used for battery applications. Sandia National Laboratories uses natural pyrite (FeS2) for its high-temperature, thermally activated Li(Si)/FeS2 batteries. The purification and processing procedures for the FeS2 involves both chemical and physical methods. Flotation was found to yield comparable results as HF leaching for removal of silica, but without the negative health and environmental concerns associated with this technique.

Theoretical performance of mid wavelength HgCdTe(1 0 0) heterostructure infrared detectors

NASA Astrophysics Data System (ADS)

Kopytko, M.

2017-11-01

The paper presents a theoretical study of the p+BpnN+ design based on HgCdTe(1 0 0) layers, which significantly improves the performance of detectors optimized for the mid-wave infrared spectral range. p+BpnN+ design combines the concept of a high impedance photoconductor with double layer hetero-junction device. Zero valence band offset approximation throughout the p+Bpn heterostructure allows flow of only minority holes generated in the absorber, what in a combination with n-N+ exclusion junction provides the Auger suppression. Modeling shows that by applying a low doping active layer, it is possible to achieve an order of magnitude lower dark current densities than those determined by ;Rule 07;. A key to its success is a reduction of Shockley-Read-Hall centers associated with native defects, residual impurities and misfit dislocations. Reduction of metal site vacancies below 1012 cm-3 and dislocation density to 105 cm-2 allow to achieve a background limited performance at 250 K. If the background radiation can be reduced, operation with a three- or four-stage thermo-electric-cooler may be possible.

Characteristics of Mg-doped and In-Mg co-doped p-type GaN epitaxial layers grown by metal organic chemical vapour deposition

NASA Astrophysics Data System (ADS)

Chung, S. J.; Senthil Kumar, M.; Lee, Y. S.; Suh, E.-K.; An, M. H.

2010-05-01

Mg-doped and In-Mg co-doped p-type GaN epilayers were grown using the metal organic chemical vapour deposition technique. The effect of In co-doping on the physical properties of p-GaN layer was examined by high resolution x-ray diffraction (HRXRD), transmission electron microscopy (TEM), Hall effect, photoluminescence (PL) and persistent photoconductivity (PPC) at room temperature. An improved crystalline quality and a reduction in threading dislocation density are evidenced upon In doping in p-GaN from HRXRD and TEM images. Hole conductivity, mobility and carrier density also significantly improved by In co-doping. PL studies of the In-Mg co-doped sample revealed that the peak position is blue shifted to 3.2 eV from 2.95 eV of conventional p-GaN and the PL intensity is increased by about 25%. In addition, In co-doping significantly reduced the PPC effect in p-type GaN layers. The improved electrical and optical properties are believed to be associated with the active participation of isolated Mg impurities.

Pt/Pd electrocatalyst electrons for fuel cells

DOEpatents

Stonehart, P.

1981-11-03

This invention relates to improved electrochemical cells and to novel electrodes for use therein. In particular, the present invention comprises a fuel cell used primarily for the consumption of impure hydrogen fuels containing carbon monoxide or carbonaceous fuels where the electrode in contact with the fuel is not substantially poisoned by carbon monoxide. The anode of the fuel cell comprises a Pd/Pt alloy supported on a graphitized or partially graphitized carbon material. Fuel cells which comprise as essential elements a fuel electrode, an oxidizing electrode, and an electrolyte between said electrodes are devices for the direct production of electricity through the electrochemical combustion of a fuel and oxidant. These devices are recognized for their high efficiency as energy conversion units, since unlike conventional combustion engines, they are not subject to the limitations of the Carnot heat cycle. It is the primary object of the present invention to provide an electrode having high electrochemical activity for an electrochemical cell. It is another object of the present invention to provide an electrode having an electro-catalyst which is highly resistant to the corrosive environment of an electrochemical cell.

Transparent and Electrically Conductive Carbon Nanotube-Polymer Nanocomposite Materials for Electrostatic Charge Dissipation

NASA Technical Reports Server (NTRS)

Dervishi, E.; Biris, A. S.; Biris, A. R.; Lupu, D.; Trigwell, S.; Miller, D. W.; Schmitt, T.; Buzatu, D. A.; Wilkes, J. G.

2006-01-01

In recent years, nanocomposite materials have been extensively studied because of their superior electrical, magnetic, and optical properties and large number of possible applications that range from nano-electronics, specialty coatings, electromagnetic shielding, and drug delivery. The aim of the present work is to study the electrical and optical properties of carbon nanotube(CNT)-polymer nanocomposite materials for electrostatic charge dissipation. Single and multi-wall carbon nanotubes were grown by catalytic chemical vapor deposition (CCVD) on metal/metal oxide catalytic systems using acetylene or other hydrocarbon feedstocks. After the purification process, in which amorphous carbon and non-carbon impurities were removed, the nanotubes were functionalized with carboxylic acid groups in order to achieve a good dispersion in water and various other solvents. The carbon nanostructures were analyzed, both before and after functionalization by several analytical techniques, including microscopy, Raman spectroscopy, and X-Ray photoelectron spectroscopy. Solvent dispersed nanotubes were mixed (1 to 7 wt %) into acrylic polymers by sonication and allowed to dry into 25 micron thick films. The electrical and optical properties of the films were analyzed as a function of the nanotubes' concentration. A reduction in electrical resistivity, up to six orders of magnitude, was measured as the nanotubes' concentration in the polymeric films increased, while optical transparency remained 85 % or higher relative to acrylic films without nanotubes.

Effects of hydrogen-like impurity and electromagnetic field on quantum transition of an electron in a Gaussian potential with QD thickness

NASA Astrophysics Data System (ADS)

Xin, Wei; Zhao, Yu-Wei; Sudu; Eerdunchaolu

2018-05-01

Considering Hydrogen-like impurity and the thickness effect, the eigenvalues and eigenfunctions of the electronic ground and first exited states in a quantum dot (QD) are derived by using the Lee-Low-Pins-Pekar variational method with the harmonic and Gaussian potentials as the transverse and longitudinal confinement potentials, respectively. A two-level system is constructed on the basis of those two states, and the electronic quantum transition affected by an electromagnetic field is discussed in terms of the two-level system theory. The results indicate the Gaussian potential reflects the real confinement potential more accurately than the parabolic one; the influence of the thickness of the QD on the electronic transition probability is interesting and significant, and cannot be ignored; the electronic transition probability Γ is influenced significantly by some physical quantities, such as the strength of the electron-phonon coupling α, the electric-field strength F, the magnetic-field cyclotron frequency ωc , the barrier height V0 and confinement range L of the asymmetric Gaussian potential, suggesting the transport and optical properties of the QD can be manipulated further though those physical quantities.

Impurity-doped optical shock, detonation and damage location sensor

DOEpatents

Weiss, J.D.

1995-02-07

A shock, detonation, and damage location sensor providing continuous fiber-optic means of measuring shock speed and damage location, and could be designed through proper cabling to have virtually any desired crush pressure. The sensor has one or a plurality of parallel multimode optical fibers, or a singlemode fiber core, surrounded by an elongated cladding, doped along their entire length with impurities to fluoresce in response to light at a different wavelength entering one end of the fiber(s). The length of a fiber would be continuously shorted as it is progressively destroyed by a shock wave traveling parallel to its axis. The resulting backscattered and shifted light would eventually enter a detector and be converted into a proportional electrical signals which would be evaluated to determine shock velocity and damage location. The corresponding reduction in output, because of the shortening of the optical fibers, is used as it is received to determine the velocity and position of the shock front as a function of time. As a damage location sensor the sensor fiber cracks along with the structure to which it is mounted. The size of the resulting drop in detector output is indicative of the location of the crack. 8 figs.

Spin accumulation in disordered topological insulator ultrathin films

NASA Astrophysics Data System (ADS)

Siu, Zhuo Bin; Ho, Cong Son; Tan, Seng Ghee; Jalil, Mansoor B. A.

2017-08-01

Topological insulator (TI) ultrathin films differ from the more commonly studied semi-infinite bulk TIs in that the former possess both top and bottom surfaces where the surface states localized at different surfaces can couple to one another across the finite thickness of the film. In the presence of an in-plane magnetization, the TI thin films display two distinct phases depending on which of the inter-surface coupling or the magnetization is stronger. In this work, we consider a Bi2Se3 TI thin film system with an in-plane magnetization and numerically calculate the resulting spin accumulation on both surfaces of the film due to an in-plane electric field to linear order. We describe a numerical scheme for performing the Kubo formula calculation in which we include impurity scattering and vertex corrections. We find that the sums of the spin accumulation over the two surfaces in the in-plane direction perpendicular to the magnetization and in the out of plane direction are antisymmetric in Fermi energy around the charge neutrality point and are non-vanishing only when the symmetry between the top and bottom TI surfaces is broken. The impurity scattering, in general, diminishes the magnitude of the spin accumulation.

Double-injection, deep-impurity switch development

NASA Technical Reports Server (NTRS)

Selim, F. A.; Whitson, D. W.

1983-01-01

The overall objective of this program is the development of device design and process techniques for the fabrication of a double-injection, deep-impurity (DI)(2) silicon switch that operates in the 1-10 kV range with conduction current of 10 and 1A, respectively. Other major specifications include a holding voltage of 0 to 5 volts at 1 A anode current, 10 microsecond switching time, and power dissipation of 50 W at 75 C. This report describes work that shows how the results obtained at the University of Cincinnati under NASA Grant NSG-3022 have been applied to larger area and higher voltage devices. The investigations include theoretical, analytical, and experimental studies of device design and processing. Methods to introduce deep levels, such as Au diffusion and electron irradiation, have been carried out to "pin down' the Fermi level and control device-switching characteristics. Different anode, cathode, and gate configurations are presented. Techniques to control the surface electric field of planar structures used for (DI)(2) switches are examined. Various sections of this report describe the device design, wafer-processing techniques, and various measurements which include ac and dc characteristics, 4-point probe, and spreading resistance.

Impurity-doped optical shock, detonation and damage location sensor

DOEpatents

Weiss, Jonathan D.

1995-01-01

A shock, detonation, and damage location sensor providing continuous fiber-optic means of measuring shock speed and damage location, and could be designed through proper cabling to have virtually any desired crush pressure. The sensor has one or a plurality of parallel multimode optical fibers, or a singlemode fiber core, surrounded by an elongated cladding, doped along their entire length with impurities to fluoresce in response to light at a different wavelength entering one end of the fiber(s). The length of a fiber would be continuously shorted as it is progressively destroyed by a shock wave traveling parallel to its axis. The resulting backscattered and shifted light would eventually enter a detector and be converted into a proportional electrical signals which would be evaluated to determine shock velocity and damage location. The corresponding reduction in output, because of the shortening of the optical fibers, is used as it is received to determine the velocity and position of the shock front as a function of time. As a damage location sensor the sensor fiber cracks along with the structure to which it is mounted. The size of the resulting drop in detector output is indicative of the location of the crack.

Polarizability and binding energy of a shallow donor in spherical quantum dot-quantum well (QD-QW)

NASA Astrophysics Data System (ADS)

Rahmani, K.; Chrafih, Y.; M’Zred, S.; Janati, S.; Zorkani, I.; Jorio, A.; Mmadi, A.

2018-03-01

The polarizability and the binding energy is estimated for a shallow donor confined to move in inhomogeneous quantum dots (CdS/HgS/CdS). In this work, the Hass variational method within the effective mass approximation in used in the case of an infinitely deep well. The polarizability and the binding energy depend on the inner and the outer radius of the QDQW, also it depends strongly on the donor position. It’s found that the stark effect is more important when the impurity is located at the center of the (QDQW) and becomes less important when the donor moves toward the extremities of the spherical layer. When the electric field increases, the binding energy and the polarizability decreases. Its effects is more pronounced when the impurity is placed on the center of the spherical layer and decrease when the donor move toward extremities of this spherical layer. We have demonstrated the existence of a critical value {≤ft( {{{{R_1}} \\over {{R_2}}}} \\right)cri} which can be used to distinguish the tree dimension confinement from the spherical surface confinement and it’s may be important for the nanofabrication techniques.

Modelling of surface roughness effects on impurity erosion and deposition in TEXTOR with a code package SURO/ERO/SDPIC

NASA Astrophysics Data System (ADS)

Dai, Shuyu; Kirschner, A.; Sun, Jizhong; Tskhakaya, D.; Wang, Dezhen

2014-12-01

The roughness-induced uneven erosion-deposition behaviour is widely observed on plasma-wetted surfaces in tokamaks. The three-dimensional (3D) angular distribution of background plasma and impurities is expected to have an impact on the local erosion-deposition characteristic on rough surfaces. The investigations of 13C deposition on rough surfaces in TEXTOR experiments have been re-visited by 3D treatment of surface morphology to evaluate the effect of 3D angular distribution and its connection with surface topography by the code package SURO/ERO/SDPIC. The simulation results show that the erosion/deposition patterns and evolution of surface topography are strongly affected by the azimuthal direction of incident flux. A reduced aspect ratio of rough surface leads to an increase in 13C deposition due to the enhanced trapping ability at surface recessions. The shadowing effect of rough surface has been revealed based on the relationship between 3D incident direction and surface topography properties. The more realistic surface structures used by 3D SURO can well reproduce the experimental results of the increase in the 13C deposition efficiency by a factor of 3-5 on a rough surface compared with a smooth one. The influence of sheath electric field on the local impact angle and resulting 13C deposition has been studied, which indicates that the difference in 13C deposition caused by sheath electric field can be alleviated by the use of more realistic surface structures. The difference in 13C deposition on smooth graphite and tungsten substrates has been specified by consideration of effects of kinetic reflection, enhanced physical sputtering and nucleation.

Slow positron studies of hydrogen activation/passivation on SiO2/Si(100) interfaces

NASA Astrophysics Data System (ADS)

Lynn, K. G.; Asoka-Kumar, P.

The hydrogen atoms are one of the most common impurity species found in semiconductor systems owing to its large diffusivity, and are easily incorporated either in a controlled process like in ion implantation or in an uncontrolled process like the one at the fabrication stage. Hydrogen can passivate dangling bonds and dislocations in these systems and hence can be used to enhance the electrical properties. In a SiO2/Si system, hydrogen can passivate electronic states at the interface and can alter the fixed or mobile charges in the oxide layer. Since hydrogen is present in almost all of the environments of SiO2/Si wafer fabrication, the activation energy of hydrogen atoms is of paramount importance to a proper understanding of SiO2/Si based devices and has not been measured on the technologically most important Si(100) face. There are no direct, nondestructive methods available to observe hydrogen injection into the oxide layer and subsequent diffusion. The positrons are used as a 'sensitive', nondestructive probe to observe hydrogen interaction in the oxide layer and the interface region. A new way is described of characterizing the changes in the density of the interface states under a low temperature annealing using positrons.

Impurity-induced moments in underdoped cuprates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Khaliullin, G.; Kilian, R.; Krivenko, S.

1997-11-01

We examine the effect of a nonmagnetic impurity in a two-dimensional spin liquid in the spin-gap phase, employing a drone-fermion representation of spin-1/2 operators. The properties of the local moment induced in the vicinity of the impurity are investigated and an expression for the nuclear-magnetic-resonance Knight shift is derived, which we compare with experimental results. Introducing a second impurity into the spin liquid an antiferromagnetic interaction between the moments is found when the two impurities are located on different sublattices. The presence of many impurities leads to a screening of this interaction as is shown by means of a coherent-potentialmore » approximation. Further, the Kondo screening of an impurity-induced local spin by charge carriers is discussed. {copyright} {ital 1997} {ital The American Physical Society}« less

Impurity doping effects on the orbital thermodynamic properties of hydrogenated graphene, graphane, in Harrison model

NASA Astrophysics Data System (ADS)

Yarmohammadi, Mohsen

2016-12-01

Using the Harrison model and Green's function technique, impurity doping effects on the orbital density of states (DOS), electronic heat capacity (EHC) and magnetic susceptibility (MS) of a monolayer hydrogenated graphene, chair-like graphane, are investigated. The effect of scattering between electrons and dilute charged impurities is discussed in terms of the self-consistent Born approximation. Our results show that the graphane is a semiconductor and its band gap decreases with impurity. As a remarkable point, comparatively EHC reaches almost linearly to Schottky anomaly and does not change at low temperatures in the presence of impurity. Generally, EHC and MS increases with impurity doping. Surprisingly, impurity doping only affects the salient behavior of py orbital contribution of carbon atoms due to the symmetry breaking.