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At least 505 records · Page 28

Catalytic Removal of Oxygen Impurities from Pressurized Oxy-Combustion Flue Gas for the Production of High-Purity Carbon Dioxide

Flue gas purification is important for pressurized oxy-combustion systems to produce pure carbon dioxide (CO 2 ) streams ready for storage or utilization. A catalytic approach to removing oxygen (O 2 ) impurities from pressurized oxy-combustion flue gas via reduction with methane (CH 4 ) was investigated in this work. Two types of catalysts were studied: palladium (Pd)-based catalysts supported on titania (TiO 2 ) prepared by incipient wetness impregnation and cobalt–manganese (CoMn) composite catalysts prepared by coprecipitation. The performance of the catalysts was evaluated in a high-pressure–high-temperature, fixed-bed reactor at a pressure of 15 bar and a gas hourly space velocity of 30 000 h –1 (standard conditions), with a simulated feeding gas composed of 3 vol % O 2 , 1.5 vol % CH 4 , and CO 2 as the balance gas. Among the Pd catalysts, 5% Pd/TiO 2 achieved the maximum 86% O 2 removal at ≥350 °C. The CoMn oxide catalysts displayed comparable or better activities for O 2 reduction compared with the Pd catalysts. Among them, the Co 40 Mn 1 catalyst exhibited the best performance, able to reduce 99.9% of O 2 impurities at ~370 °C with negligible carbon monoxide (CO) formation (<10 ppmv). Both trivalent and divalent Co and Mn were detected on the catalyst surface, and the superior activity of Co 40 Mn 1 might be associated with the resultant disordered structure. Furthermore, the activity of the catalyst was not affected by the presence of a trace amount of nitric oxide (NO) gas contaminant. Results of this study provide the basis for scale-up studies in both the synthesis and performance of non-noble metal catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Effect of Impurities on the Redox Properties of Goethite

Iron oxide minerals regulate the flux of electrons in the environment and are important hosts for trace and minor, yet critical, elements. Here, we present the first evidence of a direct link between the local coordination environments of Ni and Zn and the redox properties of their host phase goethite (α-FeOOH), the most abundant Fe(III) (oxyhydr)oxide at Earth’s surface. Here, we used aqueous redox measurements to show that the redox potential E H 0 , and hence the mineral’s stability, follows the order: pure goethite ≥ Zn-goethite > Ni-goethite. Parallel X-ray absorption and scattering measurements demonstrate, using quantum-informed analysis, that the local coordination environment of the smaller impurity, Ni, causes more bulk strain energy than Zn, which nearly accounts for the difference in E H 0 between Ni- and Zn-goethite. Our theory-informed, experimental study reveals how two common impurities affect the stability of goethite with implications for the biogeochemical reactivity of Fe(III) (oxyhydr)oxide in mediating elemental and electron fluxes in the environment.

42 ENGINEERING↗

Affinity for OH – Produces Four-Coordinated Zn 2+ Impurities in Hydrated Amorphous Calcium Carbonate

Using ab initio based molecular dynamics and electronic structure calculations, we show that Zn impurities in hydrated amorphous calcium carbonate (ACC) have a much lower coordination number than other divalent impurities due to covalent interactions between the 3d Zn shell and the oxygen atoms of the carbonate and water groups. Further, the local structure around Zn in ACC, including the predicted low coordination number, is confirmed by X-ray absorption spectroscopy of synthetic Zn-bearing ACC. The strong Zn–O chemical interaction leads to substantial water dissociation and slightly disrupts the hydrogen bonding network. Implications of Zn 2+ incorporation for ACC stability are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Disparate effects of an O{sub 2} internal impurity on the elongation and quantum transport of gold and silver nanowires

In this work, we investigated the effects of an internal O{sub 2} impurity on the conductance of elongated gold and silver nanowires (NWs) using density functional theory calculations. We found that the O{sub 2} interacts with these metallic NWs very differently. In the case of gold NWs, the presence of an internal oxygen molecule locally strengthens the wire, therefore, forcing the phase transformations connected to the thinning process (3D to 2D and 2D to single atom chain) to occur far from the oxygen. As a consequence, towards the end of the elongation, the internal O{sub 2} is located far from the main conductance channel and therefore has little influence on the conductance of the NW. In contrast, in silver NWs, the presence of an internal oxygen molecule involves a larger charge transfer from the metallic atoms to the oxygen, therefore, weakening the Ag-Ag binding. During the initial stages of the elongation, several metallic bonds adjacent to the impurity break, so that in most simulations the NW thinning takes place near the O{sub 2}. This thinning mechanism places the O{sub 2} near the main conductance channel, therefore, significantly reducing the conductivity of the elongated silver NWs. For both metals, our findings agree well with the published experimental results.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Influence of impurities on the transition from minority to mode conversion heating in ({sup 3}He)-H)- plasmas

Ion cyclotron resonance heating (ICRH) is one of the main auxiliary heating systems used in present-day tokamaks and is planned to be installed in ITER. In the initial full-field phase of ITER operating with hydrogen majority plasmas, fundamental resonance heating of helium-3 ions is one of a few ICRH schemes available. Past JET experiments with the carbon wall revealed a significant impact of impurities on the ICRH performance in ({sup 3}He)-H plasmas. A significant reduction of the helium-3 concentration, at which the transition from minority ion to mode conversion heating occurs, was found to be due to a high plasma contamination with carbon ions. In this paper we discuss the effect of Be and another impurity species present at JET after the installation of a new ITER-like wall on the transition helium-3 concentration in ({sup 3}He)-H plasmas. We suggest a potential method for controlling helium-3 level needed for a specific ICRH regime by puffing an extra helium-4 gas to the plasma.

36 MATERIALS SCIENCE↗

Magnetocaloric properties of distilled gadolinium: Effects of structural inhomogeneity and hydrogen impurity

High-purity Gd prepared by distillation is a structurally inhomogeneous system consisting of needle-shaped crystals of cross section 0.5–2.5 μm with near-c-axis orientation embedded in a matrix of nanosized (30–100 nm) grains. By measuring the magnetocaloric effect (MCE) directly, we find that the MCE values differ markedly for the plate-shaped samples cut out of a distillate along and perpendicular to the crystals. The effect of small controlled amounts of impurity (hydrogen) on the properties of distilled Gd is further studied. We observe opposite trends in the MCE response to hydrogen charging with respect to the crystal's orientation within the samples and discuss mechanisms interrelating the unique structural morphology with the impurity behavior. As an overall assessment, the Curie temperatures of α-GdH{sub x} solid solutions increase from 291 K up to 294 K when increasing hydrogen concentration x from 0 to 0.15. Hydrogenation is found to broaden the ferromagnetic-to-paramagnetic phase transition. Hydrogen-containing specimens demonstrate reversibility of MCE at these temperatures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

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

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 Ag 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.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Development of a particle injection system for impurity transport study in KSTAR

A solid particle injection system is developed for KSTAR. The system has a compact size, compatibility with a strong magnetic field and high vacuum environment, and the capability to inject a small amount of solid particles with a narrow injection angle. The target flight-distance of 10 cm has been achieved with a particle loss rate of less than 10%. Solid impurity particles such as tungsten and carbon will be injected by this system at the midplane in KSTAR. The impurity transport feature will be studied with a soft X-ray array, a vacuum ultra-violet diagnostic, and Stand Alone Non-Corona code.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Coherence imaging of scrape-off-layer and divertor impurity flows in the Mega Amp Spherical Tokamak (invited)

A new coherence imaging Doppler spectroscopy diagnostic has been deployed on the UK’s Mega Amp Spherical Tokamak for scrape-off-layer and divertor impurity flow measurements. The system has successfully obtained 2D images of C III, C II, and He II line-of-sight flows, in both the lower divertor and main scrape-off-layer. Flow imaging has been obtained at frame rates up to 1 kHz, with flow resolution of around 1 km/s and spatial resolution better than 1 cm, over a 40° field of view. C III data have been tomographically inverted to obtain poloidal profiles of the parallel impurity flow in the divertor under various conditions. In this paper we present the details of the instrument design, operation, calibration, and data analysis as well as a selection of flow imaging results which demonstrate the diagnostic's capabilities.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Optical spectra and intensities of graphene magnetic dot bound to a negatively charged Coulomb impurity

Employing numerical diagonalization, we study the optical properties of an electron in a monolayer-graphene magnetic dot bound to an off-center negatively charged Coulomb impurity based on the massless Dirac-Weyl model. Numerical results show that, since the electron-hole symmetry is broken by the Coulomb potential, the optical absorption spectra of the magnetic dot in the presence of a Coulomb impurity are different between the electron states and the hole states. Effects of both the magnetic field and the dot size on the absorption coefficient are presented as functions of the incident photon energies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Low temperature transformation from antiferromagnetic to ferromagnetic order in impurity system Ge:As near the insulator-metal phase transition

The low-temperature transformation from antiparallel to parallel spin orientation in a nonmagnetic compensated system Ge:As semiconductor near the metal-insulator phase transition has been experimentally observed. This effect is manifested in the temperature dependences of the impurity magnetic susceptibility obtained by integration of the spin resonance absorption line. These dependences show that the spin density falls in the medium temperature range (10-100 K) and grows at low temperatures. The effect is confirmed by the specific temperature features of the g-factor and inverse magnetic susceptibility. As the relative content of a compensating impurity (gallium) is made lower than 0.7, the transition temperature begins to decrease and, at a degree of compensation < 0.3, falls outside the temperature range under study (i.e., below 2 K)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Impurity precipitation in atomized particles evidenced by nano x-ray diffraction computed tomography

Performances and physical properties of high technology materials are influenced or even determined by their initial microstructure and by the behavior of impurity phases. Characterizing these impurities and their relations with the surrounding matrix is therefore of primary importance but it unfortunately often requires a destructive approach, with the risk of misinterpreting the observations. The improvement we have done in high resolution X-ray diffraction computed tomography combined with the use of an X-ray nanoprobe allows non-destructive crystallographic description of materials with microscopic heterogeneous microstructure (with a grain size between 10 nm and 10 μm). In this study, the grain localization in a 2D slice of a 20 μm solidified atomized γU-Mo particle is shown and a minority U(C,O) phase (1 wt. %) with sub-micrometer sized grains was characterized inside. Evidence is presented showing that the onset of U(C,O) grain crystallization can be described by a precipitation mechanism since one single U-Mo grain has direct orientation relationship with more than one surrounding U(C,O) grains.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Localization and magnetism of the resonant impurity states in Ti doped PbTe

The problem of localization of the resonant impurity states is discussed for an illustrative example of Titanium doped Lead Telluride. Electronic structure of PbTe:Ti is studied using first principles methods, densities of states, and Bloch spectral functions are analyzed. We show that Ti creates resonant states in the conduction band of PbTe, however, spectral functions of the system strongly suggest localization of these states and show poor hybridization with PbTe electronic structure. The contrast between results presented here and previously reported spectral functions for PbTe:Tl correlate very well with the different effect of those impurities on thermopower (S) of PbTe, which is large increase is S for PbTe:Tl and almost no effect on S for PbTe:Ti. Moreover, magnetic properties of the system are studied and formation of magnetic moments on Ti atoms is found, both for ordered (ferromagnetic) and disordered (paramagnetic-like) phases, showing that PbTe:Ti can be a magnetic semiconductor.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Structure and vibrations of different charge Ge impurity in α-quartz

Atomic structure and localized vibrations of α‐SiO{sub 2}:Ge are studied using computer modeling techniques. The simulation was carried out by the lattice dynamics calculation of the local density of vibrational states. Local structures parameters are calculated, localized symmetrized vibrations frequency caused by Ge impurity in different charge states are defined. The movements of atoms located near Ge impurity are analyzed and their contribution into localized vibrations of different type is evaluated.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Influence of zigzag edges on the Ruderman-Kittel-Kasuya-Yosida interaction between magnetic impurities in graphene nanoribbons

Localized magnetic impurity centres in graphene can interact through the π-electrons, leading to an effective Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction. A RKKY-type study is presented for graphene ribbons with zigzag edges. Specifically investigations of how the edges modify the interaction between two localized magnetic moments are made by using a tight-binding Hamiltonian to describe the hopping of the π-electrons between adjacent sites and a contact term for interactions with the localized moments. In terms of a Green's function formalism for the excitation spectrum, which comprises modified bulk modes and two different types of localized edge modes, explicit analytical expressions are obtained for the RKKY interaction for any two magnetic sites on the graphene ribbon. The results enable us to determine the RKKY contributions that arise individually from the bulk-like modes and from the two types of edge modes in the zigzag geometry. The importance of these contributions varies depending on the proximity of the magnetic impurities to each other and to an edge.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Anisotropic charged impurity-limited carrier mobility in monolayer phosphorene

The room temperature carrier mobility in atomically thin 2D materials is usually far below the intrinsic limit imposed by phonon scattering as a result of scattering by remote charged impurities in its environment. We simulate the charged impurity-limited carrier mobility μ in bare and encapsulated monolayer phosphorene. We find a significant temperature dependence in the carrier mobilities (μ ∝ T{sup −γ}) that results from the temperature variability of the charge screening and varies with the crystal orientation. The anisotropy in the effective mass leads to an anisotropic carrier mobility, with the mobility in the armchair direction about one order of magnitude larger than in the zigzag direction. In particular, this mobility anisotropy is enhanced at low temperatures and high carrier densities. Under encapsulation with a high-κ overlayer, the mobility increases by up to an order of magnitude although its temperature dependence and its anisotropy are reduced.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Anisotropic spin dephasing of impurity-bound electron spins in ZnO

We investigate the electron spin dynamics of n-type c-axis oriented bulk zinc oxide (ZnO) by using time-resolved Kerr rotation and resonant spin amplification measurements. Calculating resonant spin amplification using an anisotropic spin dephasing model reveals that there are two species involved in the spin dynamics, which we attribute to conduction and impurity-bound electron spins, respectively. We find that the impurity-bound electron spin dephasing mechanism is strongly anisotropic due to anisotropic exchange interactions. The identification of the two spin species and their dephasing mechanisms is further supported by the temperature, power, and wavelength dependence of the spin coherence measurements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Investigation of the mechanism of impurity assisted nanoripple formation on Si induced by low energy ion beam erosion

A detailed mechanism of the nanoripple pattern formation on Si substrates generated by the simultaneous incorporation of pure Fe impurities at low energy (1 keV) ion beam erosion has been studied. To understand and clarify the mechanism of the pattern formation, a comparative analysis of the samples prepared for various ion fluence values using two complimentary methods for nanostructure analysis, atomic force microscopy, and grazing incidence small angle x-ray scattering has been done. We observed that phase separation of the metal silicide formed during the erosion does not precede the ripple formation. It rather concurrently develops along with the ripple structure. Our work is able to differentiate among various models existing in the literature and provides an insight into the mechanism of pattern formation under ion beam erosion with impurity incorporation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗