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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Speciation of residual carbon contained in UO{sub 2}

UO{sub 2} powders were synthesized thanks to oxalic precipitation (platelet morphology) and sol-gel route and completely characterized. A secondary phase was found depending on the calcination atmospheres. This phase has been identified by Raman spectroscopy as graphitic material (i.e. carbon-based secondary compound) and quantified by thermogravimetric analyses. Its amount varies with the calcination atmosphere. The presence of this secondary phase has no significant effect on the lattice parameter and its specific surface area. - Graphical abstract: Figure 2: Raman spectroscopy of the three UO{sub 2} powders and of the dissolution residues.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Geometric effects in the effective-mass theory and topological optical superlattices

Cold atoms tailored by an optical lattice have become a fascinating arena for simulating quantum physics. In this area, one important and challenging problem is creating effective spin-orbit coupling (SOC), especially for fashioning a cold atomic gas into a topological phase, for which prevailing approaches mainly rely on the Raman coupling between the atomic internal states and a laser field. Herein, a strategy for realizing effective SOC is proposed by exploiting the geometric effects in the effective-mass theory, without resorting to internal atomic states. Furthermore, it is shown that the geometry of Bloch states can have nontrivial effects on the wave-mechanical states under external fields, leading to effective SOC and an effective Darwin term, which have been neglected in the standard effective-mass approximation. It is demonstrated that these relativisticlike effects can be employed to introduce effective SOC in a two-dimensional optical superlattice, and induce a nontrivial topological phase.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Phonon spectrum of $\mathrm{Pr_2Zr_2O_7}$ and $\mathrm{Pr_2Ir_2O_7}$ as evidence of coupling of the lattice with electronic and magnetic degrees of freedom

Magnetic materials with pyrochlore crystal structure form exotic magnetic states due to the high lattice frustration. Here in this work we follow the effects of coupling of the lattice and electronic and magnetic degrees of freedom in two praseodymium-based pyrochlores $\mathrm{Pr_2Zr_2O_7}$ and $\mathrm{Pr_2Ir_2O_7}$. In either of these materials, the presence of magnetic interactions does not lead to magnetically ordered low temperature states; however, their electronic properties are different. A comparison of Raman phonon spectra of $\mathrm{Pr_2Zr_2O_7}$ and $\mathrm{Pr_2Ir_2O_7}$ allows us to identify magnetoelastic coupling in $\mathrm{Pr_2Zr_2O_7}$ that elucidates its magnetic properties at intermediate temperatures and allows us to characterize phonon-electron scattering in the semimetallic $\mathrm{Pr_2Ir_2O_7}$. We also show that the effects of random disorder on the Raman phonon spectra is small.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Multivariate Analysis To Quantify Species in the Presence of Direct Interferents: Micro-Raman Analysis of HNO 3 in Microfluidic Devices

Microfluidic devices are a growing field with significant potential for application to small scale processing of solutions. Much like large scale processing, fast, reliable, and cost effective means of monitoring the streams during processing are needed. Here we apply a novel Micro-Raman probe to the on-line monitoring of streams within a microfluidic device. For either macro or micro scale process monitoring via spectroscopic response, there is the danger of interfering or confounded bands obfuscating results. By utilizing chemometric analysis, a form of multivariate analysis, species can be accurately quantified in solution despite the presence of overlapping or confounded spectroscopic bands. This is demonstrated on solutions of HNO 3 and NaNO 3 within micro-flow and microfluidic devices.

Lines, Amanda M.↗
DOE OSTI2018

Deformation Mechanisms of Vertically Stacked WS 2 /MoS 2 Heterostructures: The Role of Interfaces

Here, the mechanical and optical properties generated due to the stacking of different atomically thin materials have made it possible to tune and engineer these materials for next-generation electronics. The understanding of the interlayer interactions in such stacked structures is of fundamental interest for structure and property correlation. Here, a combined approach of in situ Raman spectroscopy and mechanical straining along with molecular dynamics (MD) simulations has been used to probe one such interface, namely, the WS 2 /MoS 2 heterostructure. Vertical heterostructures on poly(methyl methacrylate), when flexed, showed signs of decoupling at 1.2% strain. Theoretical calculations showed strain-induced stacking changes at 1.75% strain. The sliding characteristics of layers were also investigated using scanning probe microscopy based nanoscratch testing, and the results are further supported by MD simulations. The present study could be used to design future optoelectronic devices based on WS 2 /MoS 2 heterostructures.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

Hard Ferromagnetism Down to the Thinnest Limit of Iron-Intercalated Tantalum Disulfide

Two-dimensional (2D) magnetic crystals hold promise for miniaturized and ultralow power electronic devices that exploit spin manipulation. In these materials, large, controllable magnetocrystalline anisotropy (MCA) is a prerequisite for the stabilization and manipulation of long-range magnetic order. In known 2D magnetic crystals, relatively weak MCA typically results in soft ferromagnetism. Furthermore, we demonstrate that ferromagnetic order persists down to the thinnest limit of Fe x TaS 2 (Fe-intercalated bilayer 2H-TaS 2 ) with giant coercivities up to 3 T. We prepare Fe-intercalated TaS 2 by chemical intercalation of van der Waals-layered 2H-TaS 2 crystals and perform variable-temperature transport, transmission electron microscopy, and confocal Raman spectroscopy measurements to shed new light on the coupled effects of dimensionality, degree of intercalation, and intercalant order/disorder on the hard ferromagnetic behavior of Fe x TaS 2 . More generally, we show that chemical intercalation gives access to a rich synthetic parameter space for low-dimensional magnets, in which magnetic properties can be tailored by the choice of the host material and intercalant identity/amount, in addition to the manifold distinctive degrees of freedom available in atomically thin, van der Waals crystals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Vibrational fingerprints of ferroelectric HfO 2

Hafnia (HfO 2 ) is a promising material for emerging chip applications due to its high-κ dielectric behavior, suitability for negative capacitance heterostructures, scalable ferroelectricity, and silicon compatibility. The lattice dynamics along with phononic properties such as thermal conductivity, contraction, and heat capacity are under-explored, primarily due to the absence of high quality single crystals. Herein, we report the vibrational properties of a series of HfO 2 crystals stabilized with yttrium (chemical formula HfO2: xY, where x = 20, 12, 11, 8, and 0%) and compare our findings with a symmetry analysis and lattice dynamics calculations. We untangle the effects of Y by testing our calculations against the measured Raman and infrared spectra of the cubic, antipolar orthorhombic, and monoclinic phases and then proceed to reveal the signature modes of polar orthorhombic hafnia. This work provides a spectroscopic fingerprint for several different phases of HfO 2 and paves the way for an analysis of mode contributions to high-κ dielectric and ferroelectric properties for chip technologies.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Elucidation of Ce/Zr ratio effects on the physical properties and catalytic performance of CuO x /Ce y Zr 1− y O 2 catalysts

Although cerium oxide (CeO 2 ) is widely used as a catalyst support, its limited defect sites and surface oxygen vacancy/mobility should be improved. The incorporation of zirconium (Zr) in the cerium (Ce) lattice is shown to increase the number of oxygen vacancies and improve catalytic activity. Using a fixed surface density (SD) of copper (∼2.3 Cu atoms per nm 2 ) as a surface species, the role of the support (Ce y Zr 1−y O 2 (y = 1.0, 0.9, 0.6, 0.5, and 0.0)) and defect site effects in the CO oxidation reaction was investigated. Spectroscopic (e.g., Raman, XRD, XPS) and microscopic (e.g., SEM-EDX, HR-TEM) characterization techniques were applied to evaluate the defect sites, crystallite size, lattice parameters, chemical composition, oxidation states of elements and microstructure of the catalysts. Here, the CO oxidation reaction with varied CO : O 2 ratios (1 : 5, 1 : 1, and 1 : 0.5 (stoichiometric)) was used as a model reaction to describe the relationship between the structure and the catalytic performance of each catalyst. Based on the characterization results of Ce y Zr 1−y O 2 materials, the addition of Zr causes physical and chemical changes to the overall material. The inclusion of Zr into the structure of CeO 2 decreased the overall lattice parameter of the catalyst and increased the number of defect sites. The prepared catalysts were able to reach complete CO conversion (∼100%) at low temperature conditions (<200 °C), each showing varied reaction activity. The difference in CO oxidation activity was then analyzed and related to the structure, wherein Cu loading, surface oxygen vacancies, reduction–oxidation ability, CuO x –support interaction and oxygen mobility in the catalyst were the crucial descriptors.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Resonant tunnelling features in a suspended silicon nanowire single-hole transistor

Suspended silicon nanowires have significant potential for a broad spectrum of device applications. A suspended p-type Si nanowire incorporating Si nanocrystal quantum dots has been used to form a single-hole transistor. Transistor fabrication uses a novel and rapid process, based on focused gallium ion beam exposure and anisotropic wet etching, generating <10 nm nanocrystals inside suspended Si nanowires. Electrical characteristics at 10 K show Coulomb diamonds with charging energy ∼27 meV, associated with a single dominant nanocrystal. Resonant tunnelling features with energy spacing ∼10 meV are observed, parallel to both diamond edges. These may be associated either with excited states or hole–acoustic phonon interactions, in the nanocrystal. In the latter case, the energy spacing corresponds well with reported Raman spectroscopy results and phonon spectra calculations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

High-quality graphene grown on polycrystalline PtRh{sub 20} alloy foils by low pressure chemical vapor deposition and its electrical transport properties

High-quality continuous uniform monolayer graphene was grown on polycrystalline PtRh{sub 20} alloy foils by low pressure chemical vapor deposition. The morphology of graphene was investigated by Raman spectroscopy, scanning electron microscopy, and atomic force microscopy. Analysis results confirm that high quality single-layer graphene was fabricated on PtRh{sub 20} foil at 1050 °C using a lower flux of methane under low pressure. Graphene films were transferred onto the SiO{sub 2}/Si substrate by the bubbling transfer method. The mobility of a test field effect transistor made of the graphene grown on PtRh{sub 20} was measured and reckoned at room temperature, showing that the carrier mobility was about 4000 cm{sup 2} V{sup −1} s{sup −1}. The results indicate that desired quality of single-layer graphene grown on PtRh{sub 20} foils can be obtained by tuning reaction conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Anomalous interlayer vibrations in strongly coupled layered PdSe 2

In this work, we show unusual effects of strong interlayer coupling on low-frequency (LF) Raman scattering in exfoliated PdSe 2 crystals with different number of layers. Unlike many other layered materials, it is found that the measured frequencies of the breathing modes cannot be simply described by a conventional linear chain model (LCM) that treats each layer as a single rigid object. By using first-principles calculations, we show that strong deviations from layer rigidity can occur for the LF breathing vibrations of PdSe 2 , which accounts for the observed disagreement with the conventional LCM. The layer non-rigidity and strong interlayer coupling could also explain the unusual strong intensities of the LF breathing modes that are comparable with those of the high-frequency Raman modes. These strong intensities allowed us to use a set of the measured LF Raman lines as unique fingerprints for a precise assignment of the layer numbers. The assignment of the layer numbers was further confirmed using second harmonic generation that appeared only in the noncentrosymmetric even-layer PdSe 2 crystals. In conclusion, this work thus demonstrates a simple and fast approach for the determination of the number of layers in 2D materials with strong interlayer coupling and non-rigid interlayer vibrations.

2D materials↗
NASA NTRS1999

Pressure Measurements Using an Airborne Differential Absorption Lidar: Analysis of the Systematic Error Sources - Part 1

Remote airborne measurements of the vertical and horizontal structure of the atmospheric pressure field in the lower troposphere are made with an oxygen differential absorption lidar (DIAL). A detailed analysis of this measurement technique is provided which includes corrections for imprecise knowledge of the detector background level, the oxygen absorption fine parameters, and variations in the laser output energy. In addition, we analyze other possible sources of systematic errors including spectral effects related to aerosol and molecular scattering interference by rotational Raman scattering and interference by isotopic oxygen fines.

Flamant, Cyrille N.↗
NASA NTRS2003

Using Cloud Top Pressures Derived from Raman Scattering in the UV for the OMI Total Column Ozone Retrievals

The OMI cloud pressure product is necessary for accounting for cloud effects on the mission- critical total ozone product. One of the OM1 cloud pressure algorithms uses UV measurements to derive cloud pressures from the high frequency structure of top- of-atmosphere reflectance caused by rotational Raman scattering (RRS) in the atmosphere. RRS results in filling-in of Fraunhofer lines in the backscatter UV spectra (also known as the Ring effect). The magnitude of filling-in of the Fraunhofer lines is roughly proportional to the average number of solar photon scatterings in the atmosphere above the clouds. This property of RRS is used to deduce an effective cloud pressure. The cloud pressure algorithm retrieves the cloud pressure and cloud fraction using a concept of the Mixed Lambert Equivalent Reflectivity (MLER) also used for the TOMS-V8 OM1 total column ozone algorithm. Currently, this OMI total column ozone algorithm utilizes information about cloud top pressures from a climatology based on IR measurements. The IR-derived cloud top pressure is known to be lower than UV-derived cloud top pressure because UV radiation penetrates clouds deeper than IR radiation. That is why the UV-derived cloud pressure may be more consistent withthe total ozone algorithm. We estimate total column ozone differences caused by replacing the cloud pressure climatology with cloud pressures retrieved from GOME data same as used for retrieval of ozone.

Joiner, J.↗
DOE OSTI2021

Thickness and Spin Dependence of Raman Modes in Magnetic Layered Fe 3 GeTe 2

2D layered Fe 3 GeTe 2 has attracted increasing attention due to its high magnetic ordering temperature and novel physical properties. Lattice dynamics is a fundamental property of Fe 3 GeTe 2 , and its relationships with the number of layers and interlayer spin ordering have not yet been explored in depth. Here, by first-principles density functional theory calculations, the phonon vibrations and Raman intensities of Fe 3 GeTe 2 are systematically studied from the bulk to monolayer structures. Furthermore, the spin-phonon coupling effect is investigated by considering different interlayer magnetic orderings: ferromagnetic and antiferromagnetic. It is found that the frequencies of Raman modes in Fe 3 GeTe 2 exhibit considerable dependence on the layer number and spin ordering. In this work, the results not only reveal the notable spin-phonon interactions in Fe 3 GeTe 2 , but also demonstrate that Raman modes can be utilized for characterizing the sample thickness and interlayer spin ordering in this 2D magnet.

2D magnets↗
NASA NTRS1998

Stimulated Raman amplification, oscillation, and linewidth in barium nitrate

Measurements of Raman gain in a Ba(NO3)2 crystal are reported at 532 nm using a Raman oscillator/amplifier arrangement for differential absorption lidar measurements of ozone. The experimentally determined gain coefficient will be compared with theoretical results. The effect of single and multi-longitudinal mode pumping upon the amplification process will be discussed. Measurement of the Raman linewidth for 1st 2nd and 3d stokes shifts arc presented.

McCray, Christopher J.↗
DOE OSTI2015

Electron paramagnetic resonance and Raman spectroscopy studies on carbon-doped MgB{sub 2} superconductor nanomaterials

Undoped and carbon-doped magnesium diboride (MgB{sub 2}) samples were synthesized using two sets of mixtures prepared from the precursors, amorphous nanoboron, and as-received amorphous carbon-doped nanoboron. The microscopic defect structures of carbon-doped MgB{sub 2} samples were systematically investigated using X-ray powder diffraction, Raman and electron paramagnetic resonance spectroscopy. Mg vacancies and C-related dangling-bond active centers could be distinguished, and sp{sup 3}-hybridized carbon radicals were detected. A strong reduction in the critical temperature T{sub c} was observed due to defects and crystal distortion. The symmetry effect of the latter is also reflected on the vibrational modes in the Raman spectra.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗