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At least 1,333 records · Page 74

Growth and optical characteristics of high-quality ZnO thin films on graphene layers

We report the growth of high-quality, smooth, and flat ZnO thin films on graphene layers and their photoluminescence (PL) characteristics. For the growth of high-quality ZnO thin films on graphene layers, ZnO nanowalls were grown using metal-organic vapor-phase epitaxy on oxygen-plasma treated graphene layers as an intermediate layer. PL measurements were conducted at low temperatures to examine strong near-band-edge emission peaks. The full-width-at-half-maximum value of the dominant PL emission peak was as narrow as 4 meV at T = 11 K, comparable to that of the best-quality films reported previously. Furthermore, the stimulated emission of ZnO thin films on the graphene layers was observed at the low excitation energy of 180 kW/cm{sup 2} at room temperature. Their structural and optical characteristics were investigated using X-ray diffraction, transmission electron microscopy, and PL spectroscopy.

36 MATERIALS SCIENCE↗

Structure-phase state and mechanical properties of surface layers in titanium nikelide single crystals after shock mechanical treatment

The influence of ultrasonic shock surface treatment (USST) on refine structure and mechanical characteristics of surface layers and deformation behaviour of volume samples of TiNi(Fe, Mo) shape memory effect alloy single crystals is studied using optical and transmission electron microscope, X-ray diffraction, nanoindentation, mechanical attrition testing and experiments on uniaxial tension.

36 MATERIALS SCIENCE↗

Chemical precursor impact on the properties of Cu{sub 2}ZnSnS{sub 4} absorber layer

In present work impact of different chemical precursor on the deposition of solar absorber layer Cu{sub 2}ZnSnS{sub 4} (CZTS) were studied by Chemical Bath Deposition (CBD) method without using expensive vacuum facilities and followed by annealing. As compared to the other deposition methods, CBD method is interesting one because it is simple, reproducible, non-hazardous, cost effective and well suited for producing large-area thin films at low temperatures, although effect of precursors and concentration plays a vital role in the deposition. So, the central theme of this work is optimizing and controlling of chemical reactions for different chemical precursors. Further Effect of different chemical precursors i.e. sulphate and chloride is analyzed by structural, morphological, optical and electrical properties. The X-ray diffraction (XRD) of annealed CZTS thin film revealed that films were polycrystalline in nature with kestarite tetragonal crystal structure. The Atomic Force micrographs (AFM) images indicated total coverage compact film and as well as growth of crystals. The band gap of annealed CZTS films was found in the range of optimal band gap by absorption spectroscopy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Single crystal growth of Sr{sub 2}TiMnO{sub 6} by optical floating zone technique

Single crystals of Sr{sub 2}TiMnO{sub 6} were grown by optical floating zone technique. Powder X-ray diffraction studies confirmed the single phase nature of the grown crystal. Laue diffraction studies proved the quality of the grown crystal. Neutron diffraction showed no magnetic ordering down to 6 K. Impedance studies showed temperature dependant relaxation which is due to the presence of oxygen vacancies in the grown crystal.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Carrier recombination and diffusion in high-purity diamond after electron irradiation and annealing

Carrier-transport mechanisms are studied in high-purity diamond irradiated with 6 MeV electrons in the dose range of 10 12 –10 16 cm -2 and annealed at different temperatures up to 1450°C. Lifetimes and diffusion coefficients are extracted using two pump–probe techniques based on free-carrier absorption and transient-grating principles and then correlated with the corresponding defect evolution from spectroscopic measurements. Furthermore, the neutral monovacancy is revealed as the main carrier recombination center in the as-irradiated diamond, providing bipolar carrier lifetimes of a few nanoseconds at the highest irradiation dose. Carrier-capture cross sections are reduced during annealing as vacancies aggregate into divacancies at ≤1000°C and extended vacancy clusters at 1450°C.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A flexible neutron spectrometer concept with a new ultra-high field steady-state vertical-bore magnet

The proposed facility explores materials under ultra-high magnetic fields. By combining the power of high fields to tune materials and of neutron scattering to probe the resulting changes down to the atomic scale, this facility will enable transformative progress in the study of quantum materials and is named for the “TITAN” subset of Greek gods to reflect this transformation. TITAN will offer DC magnetic fields up to at least 20 T. Exploiting the record brightness and bandwidth of the Second Target Station at the Spallation Neutron Source, TITAN will probe atomic-scale responses through high efficiency neutron spectroscopy up to 80 meV energy transfer, high resolution diffraction, and small angle neutron scattering. Focusing neutron optics will maximize flux on accurately positioned samples, while radial collimation and optimized shielding and detection strategies will minimize backgrounds.

47 OTHER INSTRUMENTATION↗

Conception of broadband stigmatic high-resolution spectrometers for the soft X-ray range

We formulate an approach to the development of stigmatic high-resolution spectral instruments for the soft X-ray range (λ ≤ 300 Å), which is based on the combined operation of normalincidence multilayer mirrors (including broadband aperiodic ones) and grazing-incidence reflection gratings with nonequidistant grooves (so-called VLS gratings). A concave multilayer mirror serves to produce a slightly astigmatic image of the radiation source (for instance, an entrance slit), and the diffraction grating produces a set of its dispersed stigmatic spectral images. The width of the operating spectral region is determined by the aperiodic structure of the multilayer mirror and may range up to an octave in wavelength. (laser applications and other topics in quantum electronics)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Gravitational wave modes in matter

Here, a general linear gauge-invariant equation for dispersive gravitational waves (GWs) propagating in matter is derived. This equation describes, on the same footing, both the usual tensor modes and the gravitational modes strongly coupled with matter. It is shown that the effect of matter on the former is comparable to diffraction and therefore negligible within the geometrical-optics approximation. However, this approximation is applicable to modes strongly coupled with matter due to their large refractive index. GWs in ideal gas are studied using the kinetic average-Lagrangian approach and the gravitational polarizability of matter that we have introduced earlier. In particular, we show that this formulation subsumes the kinetic Jeans instability as a collective GW mode with a peculiar polarization, which is derived from the dispersion matrix rather than assumed a priori. This forms a foundation for systematically extending GW theory to GW interactions with plasmas, where symmetry considerations alone are insufficient to predict the wave polarization.

79 ASTRONOMY AND ASTROPHYSICS↗

Nanosecond Optically Induced Phase Transformation in Compressively Strained BiFeO 3 on LaAlO 3

Above-band-gap optical illumination of compressively strained BiFeO 3 induces a transient reversible transformation from a state of coexisting tilted tetragonal-like and rhombohedral-like phases to an untilted tetragonal-like phase. Time-resolved synchrotron x-ray diffraction reveals that the transformation is induced by an ultrafast optically induced lattice expansion that shifts the relative free energies of the tetragonal-like and rhombohedral-like phases. The transformation proceeds at interfaces between regions of the tetragonal-like phase and regions of a mixture of tilted phases, consistent with the motion of a phase boundary. The optically induced transformation demonstrates that there are new optically driven routes towards nanosecond-scale control of phase transformations in ferroelectrics and multiferroics.

36 MATERIALS SCIENCE↗

Single crystal growth of iridates without platinum impurities

Iridates have attracted much interest in the last decade for their novel magnetism emerging in the limit of strong spin-orbit coupling and possible unconventional superconductivity. A standard for growing iridate single crystals has been the flux method using platinum crucibles. Here, in this work, we show that this widely used method compromises the sample quality by inclusion of platinum impurities. We find that Sr 2 ⁢IrO 4 single crystals grown in iridium crucibles show remarkable differences from those grown in platinum crucibles in their sample characterizations using Raman spectroscopy, resistivity, magnetization, optical third harmonic generation, resonant x-ray diffraction, and resonant inelastic x-ray scattering measurements. In particular, we show that several peaks of sizable intensities disappear in the Raman spectra of samples free of platinum impurities, and a significantly larger activation energy is extracted from the resistivity data compared to previously reported values. Furthermore, we find no evidence of the previously reported glide-symmetry-breaking structural distortions and confirm the I⁢ 4 1 / acd space group of the lattice symmetry. Although the platinum impurities are not apparent in the magnetic properties and thus went unnoticed in the stoichiometric insulating phase for a long time, their effects can be much more detrimental to transport properties in chemically doped compounds. Therefore, our result suggests using growth methods that avoid platinum impurities for an investigation of the intrinsic physical properties of iridates, and possible superconducting phases.

36 MATERIALS SCIENCE↗

Dynamic X-ray diffraction sampling for protein crystal positioning

A sparse supervised learning approach for dynamic sampling (SLADS) is described for dose reduction in diffraction-based protein crystal positioning. Crystal centering is typically a prerequisite for macromolecular diffraction at synchrotron facilities, with X-ray diffraction mapping growing in popularity as a mechanism for localization. In X-ray raster scanning, diffraction is used to identify the crystal positions based on the detection of Bragg-like peaks in the scattering patterns; however, this additional X-ray exposure may result in detectable damage to the crystal prior to data collection. Dynamic sampling, in which preceding measurements inform the next most information-rich location to probe for image reconstruction, significantly reduced the X-ray dose experienced by protein crystals during positioning by diffraction raster scanning. The SLADS algorithm implemented herein is designed for single-pixel measurements and can select a new location to measure. In each step of SLADS, the algorithm selects the pixel, which, when measured, maximizes the expected reduction in distortion given previous measurements. Ground-truth diffraction data were obtained for a 5 µm-diameter beam and SLADS reconstructed the image sampling 31% of the total volume and only 9% of the interior of the crystal greatly reducing the X-ray dosage on the crystal. Furthermore, by using in situ two-photon-excited fluorescence microscopy measurements as a surrogate for diffraction imaging with a 1 µm-diameter beam, the SLADS algorithm enabled image reconstruction from a 7% sampling of the total volume and 12% sampling of the interior of the crystal. When implemented into the beamline at Argonne National Laboratory, without ground-truth images, an acceptable reconstruction was obtained with 3% of the image sampled and approximately 5% of the crystal. The incorporation of SLADS into X-ray diffraction acquisitions has the potential to significantly minimize the impact of X-ray exposure on the crystal by limiting the dose and area exposed for image reconstruction and crystal positioning using data collection hardware present in most macromolecular crystallography end-stations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

(NH 4 ) 2 [UO 2 Cl 4 ]·2H 2 O, a new uranyl tetrachloride with ammonium charge-balancing cations

A new uranyl tetrachloride salt with chemical formula, (NH 4 ) 2 [UO 2 Cl 4 ]·2H 2 O, namely, diammonium uranyl tetrachloride dihydrate, 1 , was prepared and crystallized via slow evaporation from a solution of 2 M hydrochloric acid. As confirmed by powder X-ray diffraction, the title compound crystallizes with an ammonium chloride impurity that formed as a result of the breakdown of a triazine precursor. The (UO 2 Cl 4 ) 2− dianion is charge balanced by ammonium cations, while an extensive hydrogen-bond network donated from structural water molecules stabilize the overall assembly. Compound 1 adds to the extensive collection of actinyl tetrachloride salts, but it represents the first without an alkali cation for purely inorganic compounds. Diffuse reflectance and luminescence spectra show typical absorption and emission behavior, respectively, of uranyl materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Influence of CdTe Deposition Temperature and Window Thickness on CdTe Grain Size and Lifetime After CdCl 2 Recrystallization

Grain structure influences both transport and recombination in CdTe solar cells. Larger grains generally are obtained with higher deposition temperatures, but commercially it is important to avoid softening soda-lime glass. Furthermore, depositing at lower temperatures can enable different substrates and reduced cost in the future. We examine how initial deposition temperatures and morphology influence grain size and lifetime after CdCl 2 recrystallization. Techniques are developed to estimate grain distribution quickly with low-cost optical microscopy, which compares well with electron backscatter diffraction data providing corroborative assessments of exposed CdTe grain structures. Average grain size increases as a function of CdCl 2 temperature. For lower temperature close-spaced sublimation CdTe depositions, there can be more stress and grain segregation during recrystallization. However, the resulting lifetimes and grain sizes are similar to high-temperature CdTe depositions. The grain structures and lifetimes are largely independent of the presence and/or interdiffusion of Se at the interface, before and after the CdCl 2 treatment.

14 SOLAR ENERGY↗

Steam pressure and velocity effects on high temperature silicon carbide oxidation

The effects of steam pressure, velocity, and composition on SiC oxidation kinetics were studied. Pressure effects were tested at 1200°C from 0.1 to 1.4 MPa at a steam velocity of 0.25 cm/s. Velocity effects were tested in two furnaces at 0.45 MPa, 1200°C and 0.1 MPa, 1600°C with velocities ranging from 0.25 to 137 cm/s. Steam composition was altered by changing the reaction vessel material. Oxide morphology and composition were determined using optical and electron microscopy, and X-ray diffraction. Porous oxides were observed whenever structural SiC from the reaction vessel saturated the steam with volatilized silica, H2, and CO. Oxidation kinetics were calculated by the change in SiC thickness. The steam velocity/recession rate followed a power-law relationship of ~ 0.35 while the steam pressure/recession rate followed a power-law relationship of ~ 1.78.

36 MATERIALS SCIENCE↗

Deposition and characterization of Cd{sub 1−x}Mg{sub x}Te thin films grown by a novel cosublimation method

Photovoltaic cells utilizing the CdS/CdTe structure have improved substantially in the past few years. Despite the recent advances, the efficiency of CdS/CdTe cells is still significantly below their Shockley–Queisser limit. CdTe based ternary alloy thin films, such as Cd{sub 1−x}Mg{sub x}Te (CMT), could be used to improve efficiency of CdS/CdTe photovoltaic cells. Higher band gap Cd{sub 1−x}Mg{sub x}Te films can be the absorber in top cells of a tandem structure or an electron reflector layer in CdS/CdTe cells. A novel cosublimation method to deposit CMT thin films has been developed. This method can deposit CMT films of band gaps ranging from 1.5 to 2.3 eV. The cosublimation method is fast, repeatable, and scalable for large areas, making it suitable for implementing into large-scale manufacturing. Characterization of as-deposited CMT films, with x varying from 0 to 0.35, reveals a linear relationship between Mg content measured by energy dispersive x-ray spectroscopy and the optical band gap. Glancing angle x-ray diffraction (GAXRD) measurements of Cd{sub 1−x}Mg{sub x}Te films show a zinc-blende structure similar to CdTe. Furthermore, increasing Mg content decreases the lattice parameter and the grain size. GAXRD shows the films are under mild tension after deposition.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Synthesis and Characterization of 2 × 4 Tunnel Structured Manganese Dioxides as Cathodes in Rechargeable Li, Na, and Mg Batteries

Sodium containing 2 × 4 (0.46nm × 0.92nm) tunnel structured manganese dioxide (Na-2 × 4-MnO 2 ) nanofibers are hydrothermally synthesized here. The nanofibrous Na-2 × 4-MnO 2 was thoroughly characterized using X-ray diffraction (XRD), thermogravimetric analysis (TGA), inductively coupled plasma optical emission spectroscopy (ICP-OES), N2 sorption, and electron microscopy (SEM and TEM) and is assigned a formula of Na 0.25 MnO 2 .0.16H 2 O. The electrochemistry of Na-2 × 4-MnO 2 in non-aqueous Li, Na and Mg batteries is compared for the first time and first cycle delivered capacities were found to be 152mAh/g, 86mAh/g, and 307mAh/g, respectively. Characterization of the active material after electrochemical tests demonstrated that Na-2 × 4-MnO 2 preserved both its crystallographic structure and nanofibrous morphology after cycling in Na and Li cells, however, Na-2 × 4-MnO 2 lost its crystalline structure after cycling in a Mg based system.

25 ENERGY STORAGE↗

Development of PNNL’s Plutonium Metallography Capability

The goal of this project was to develop plutonium metallography capabilities and establish workflows for characterization at PNNL’s Radiological Processing Facility (RPL). Developing and expanding on this capability opens more opportunities for PNNL to better support science through collaborations with other labs, plants, and sites withing the Department of Energy Complex and through programs within the National Nuclear Security Administration. This project established metallography equipment in an air glovebox, polishing protocols, as well as radiological and facility controls and procedures so that gram quantities of plutonium metal could be analyzed on multiple characterization tools. Data was collected and analyzed on two different delta phase plutonium - Gallium samples and a calciothermically reduced alpha plutonium metal using a combination of optical and electron microscopy, powder X-ray diffraction, and atom probe tomography. This report highlights the metallography capabilities, some preliminary data collections, and plans at PNNL to support plutonium material science.

36 MATERIALS SCIENCE↗