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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 1,387 records · Page 77
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Studies on the Fe3+ Doping Effect on Structural, Optical and Catalytic Properties of Hydrothermally Synthesized TiO2 Photocatalyst

Pure TiO2 and Fe3+-TiO2 nanoparticles have been prepared by simple hydrothermal method with different Fe3+ concentrations. The synthesized nanoparticles are analysed to determine its structural, optical, morphological and compositional properties using X-ray diffraction, Raman, UV-DRS, photoluminescence, Mossbauer, XPS, TEM and SEM/EDS. The EDS micrograph confirms the existence of Fe3+ atoms in the TiO2 matrix with 0.85, 1.52 and 1.87 weight percent. The crystallite size and band gap decrease with increase in Fe3+concentration. The average particle size obtained from TEM is 7-11 nm which is in good agreement with XRD results. Raman bands at 640 cm-1, 517 cm-1 and 398 cm-1 further confirm pure phase anatase in all samples. XPS shows the proper substitutions of few sites of Ti4+ ions by Fe3+ ions in the TiO2 host lattice. The intensity of PL spectra for Fe3+-TiO2 shows a gradual decrease in the peak intensity with increasing Fe3+ concentration in TiO2, and it indicates lower recombination rate as Fe3+ ions increases. These nanoparticles are further studied for its photocatalytic activities using malachite green dye under UV light, visible light and sunlight.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2017

Molecular origin of the vibrational structure of ice I h

Here, an unambiguous assignment of the vibrational spectra of ice I h remains a matter of debate. This study demonstrates that an accurate representation of many-body interactions between water molecules, combined with an explicit treatment of nuclear quantum effects through many-body molecular dynamics (MB-MD), leads to a unified interpretation of the vibrational spectra of ice I h in terms of the structure and dynamics of the underlying hydrogen-bond network. All features of the infrared and Raman spectra in the OH stretching region can be unambiguously assigned by taking into account both the symmetry and the delocalized nature of the lattice vibrations as well as the local electrostatic environment experienced by each water molecule within the crystal. The high level of agreement with experiment raises prospects for predictive MB-MD simulations that, complementing analogous measurements, will provide molecular-level insights into fundamental processes taking place in bulk ice and on ice surfaces under different thermodynamic conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

A covalent modification for graphene by adamantane groups through two-step chlorination-Grignard reactions

Chemical modification of graphene is a promising approach to manipulate its properties for its end applications. Herein we designed a two-step route through chlorination-Grignard reactions to covalently decorate the surface of graphene with adamantane groups. The chemically modified graphene was characterized by Raman spectroscopy, atomic force microscopy, and X-ray photoelectron spectroscopy. Chlorination of graphene occurred rapidly, and the substitution of chlorine atoms on chlorinated graphene by adamantane Grignard reagent afforded adamantane graphene in almost quantitative yield. Adamantane groups were found to be covalently bonded to the graphene carbons. The present two-step procedure may provide an effective and facile route for graphene modification with varieties of organic functional groups. - Graphical abstract: Adamantane groups covalently functionalized graphene is obtained by direct substitution of chlorinated graphene with bromoadamantane Grignard reagent.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1992

A considerable effect of stratospheric aerosol on lidar-detected ozone profile and a three-wavelength inversion technique for both ozone and aerosol

As far as the Differential Absorption Lidar (DIAL) technique is concerned, it is important that the off-line wavelength is close to the on-line wavelength in order to avoid a messy computation of the atmospheric aerosol scattering. However, the two wavelengths of ozone-DIAL are usually considerably different. Usually, an excimer laser of 308nm (on-line) and Raman shifting of 353nm or the third harmonic of a Nd-YAG laser with 355nm (off-line) are selected for measurements of the stratospheric ozone, and there is a difference of 45nm or 47nm between them. Because of the difference there is a difference in the atmospheric scatterings of the two wavelengths. This can cause some error in the retrieved ozone profile if the aerosol scattering is neglected. This paper is devoted to a study of the effect of the stratospheric aerosol on the ozone solution, and a three-wavelength detection technique is proposed for obtaining the more exact ozone profile and the aerosol profile in the stratosphere.

Qiu, Jinhuan↗
DOE OSTI2015

Effects of substitution, pressure, and temperature on the phonon mode in layered-rocksalt-type Li{sub (1−x)/2}Ga{sub (1−x)/2}Zn{sub x}O (x = 0.036–0.515) alloys

ZnO-based semiconductor alloys, Li{sub (1−x)/2}Ga{sub (1−x)/2}Zn{sub x}O (x = 0.036–0.515) with a layered-rocksalt-type structure, have been prepared under high pressure. The composition, pressure, and temperature dependence of phonons have been studied by Raman spectroscopy. We observe two disorder-activated Raman (DAR) modes when the Zn composition x increases: a broad Raman peak at ca. 400 cm{sup −1} and a left-shoulder peak at ca. 530 cm{sup −1} on the low-frequency side of A{sub 1g} mode at ca. 580 cm{sup −1}, which can be explained by reference to the phonon density of states for rocksalt-type ZnO. With the increase of the pressure and temperature, the left-shoulder DAR mode induced by substitution does not change at the same pace with the A{sub 1g} mode at Brillouin-zone center. We find that ion substitution can be seen as a kind of chemical pressure, and the chemical pressure caused by internal substitution and the physical pressure caused by external compression have equivalent effects on the shortening of correlation length, the distortion of crystal lattice, and the change of atomic occupation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Spectral characteristics of nanoamorphous phosphors obtained by evaporation of Sr{sub 2}Gd{sub 8}(SiO{sub 4}){sub 6}O{sub 2}: Eu polycrystals

Amorphous nanophosphors have been obtained for the first time by pulsed electron beam evaporation of targets from bulk polycrystalline phosphors of the composition Sr{sub 2}Gd{sub 8}(SiO{sub 4}){sub 6}O{sub 2}: Eu with oxyapatite structure. The processes of crystallization of amorphous nanopowder were studied using differential scanning calorimetry and termogravimetry (40−1400 °C). It was found that the Raman spectra of the samples are modified when the particles decrease from bulk to nanodimensional state. The spectral and luminescent characteristics of the phosphors in polycrystalline and nanoamorphous states have been examined. It was established that Eu{sup 3+} forms two types of optical centers. Unlike bulk phosphors, in the nanophosphors no Eu{sup 2+} ions are formed. The ratio of red to orange luminescence intensity for nanophosphors was found to increase as compared with bulk phosphors. This effect is due to disordering of nanoparticles. A resonant transfer of excitation energy from Gd{sup 3+} to Eu{sup 3+} ions was found in bulk and nanophosphors. Upon transition from polycrystalline to nanoamorphous state and laser excitation of phosphors, the luminescence intensity of Eu{sup 3+} ions increases approximately 10 times. This effect is explained in the framework of the configuration coordinates model. - Graphical abstract: Schematic configurational-coordinate diagram for Eu{sup 3+} ion in polycrystalline Sr{sub 2}Gd{sub 6.4}Eu{sub 1.6}Si{sub 6}O{sub 26−δ} and nanoamorphous phosphor. - Highlights: • Nanoamorphous phosphor is obtained by electron-beam evaporation of bulk silicate. • In nanoamorphous samples Raman spectra are modified intensity. • Nanofosfor luminescence by 10 times more intensively, than bulk phosphorus. • There is a transfer of energy of excitation from Gd{sup 3+} to Eu{sup 3+} in bulk- and nanophosphor.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Focusability in the multi-pump Raman amplification of short laser pulses

Spatially combining multiple strong laser beams is a promising concept for achieving ultrahigh laser intensities. Proof-of-principle experiments have been conducted at the National Ignition Facility to report a combination of up to 20 pulses with high energy conversion efficiency. However, the combination process might damage the seed focusability due to mismatch of the seed and pump wavefronts. Here, we investigate the effect of the finite pump beam size on the focusability of the seed pulse. We propose an approach to retain and even improve the seed focusability by specifically arranging multiple pump beams. The results are demonstrated by the numerical solution of coupled nonlinear Schrödinger equations. Our findings also apply to seed amplification by filamented pump pulses.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Effect of Iron Redox Equilibrium on the Foaming Behavior of MgO-Saturated Slags

In this study, the foaming index of CaO-SiO{sub 2}-Fe{sub t}O and CaO-SiO{sub 2}-Fe{sub t}O-Al{sub 2}O{sub 3} slags saturated with MgO was measured to understand the relationship between their foaming behavior and physical properties. The foaming index of MgO-saturated slags increases with the Fe{sub t}O content due to the redox equilibrium of Fe{sub t}O. Experimental results indicated that MgO-saturated slag has relatively high ferric ion concentration, and the foaming index increases due to the effect of ferric ion. Therefore, the foaming behavior of MgO-saturated slag is more reasonably explained by considering the effect of ferric ion on the estimation of slag properties such as viscosity, surface tension, and density. Specifically, the estimation of slag viscosity was additionally verified by NBO/T, and this is experimentally obtained through Raman spectroscopy.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Spatially Offset Femtosecond Stimulated Raman Spectroscopy: Observing Exciton Transport through a Vibrational Lens

To design better molecular electronic devices, we need a strong understanding of how charges or excitons propagate, as many efficiency losses arise during transport. Exciton transport has been difficult to study because excitons tend to be short-lived, have short diffusion lengths, and can easily recombine. Here, we debut spatially offset femtosecond stimulated Raman spectroscopy (SO-FSRS), a three-pulse ultrafast microscopy technique. By offsetting the photoexcitation beam, we can monitor Raman spectral changes as a function of both time and position. We used SO-FSRS on 6,13-bis(triisopropylsilylethynyl) pentacene, a well-studied organic semiconductor used in photovoltaics and field-effect transistors. Furthermore, we demonstrated that the fast exciton and free charge carrier transport axes are identical and observed that exciton transport is less anisotropic by a factor of ~3. SO-FSRS is the first technique that directly tracks molecular structural evolution during exciton transport, which can provide roadmaps for tailor-making molecules for specific electronic devices.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Unveiling the Degradation Mechanism of High-Temperature Superconductor Bi 2 Sr 2 CaCu 2 O 8+δ in Water-Bearing Environments

We report the physical properties of copper oxide high-temperature superconductors have been studied extensively, such as its band structure, and doping effects of Bi 2 Sr 2 CaCu 2 O 8+δ (Bi-2212). However, some chemical-related properties of these superconductors are rarely reported, such as their stability in air. Here, we report experiments combined with ab initio calculations that address the effects of water in contact with Bi-2212. The evolution of Bi-2212 flake with exposure to water for different time intervals were tested and characterized by optical microscopy (OM), atomic force microscopy (AFM), Raman spectroscopy, transmission electron microscopy (TEM) and electrical measurements. The thickness of Bi-2212 flakes is gradually decreased in water, and some thin flakes can be completely etched away after a few days. The stability of Bi-2212 in other solvents is also evaluated, including alcohol, acetone, HCl and KOH. The morphology of Bi-2212 flakes is relatively stable in organic solvents. However, the flakes are etched relatively quick in HCl and KOH, especially in acidic environment. Our results imply that hydrogen ion is primarily responsible for the deterioration of their properties. Both TEM and calculation results demonstrate that the atoms in Bi-O plane is relatively stable when compared to the inner atoms in Sr-O, Ca-O and Cu-O planes. This work contributes towards understanding the chemical stability of Bi-2212 superconducting device in environmental medium, which is important for both fundamental studies and practical applications of copper oxide high-temperature superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Facile synthesis of one dimensional ZnO nanostructures for DSSC applications

Development of zinc oxide (ZnO) nanostructure based third generation dye sensitized solar cell is interesting compared to conventional silicon solar cells. ZnO nanostructured thin films were electrochemically deposited onto fluorine doped tin oxide (FTO) glass substrate. The effect of ethylene-diamine-tetra-acetic acid (EDTA) on structural, morphological and optical properties is investigated using X-ray diffraction (XRD) meter, field emission scanning electron microscope (FE-SEM) and micro Raman spectroscopy. XRD patterns reveal that the prepared nanostructures are hexagonal wutrzite structures with (101) plane orientation, the nanostructure prepared using EDTA exhibits better crystallinity. FE-SEM images illustrate that the morphological changes are observed from nanorod structure to cauliflower like structure as EDTA is added. Micro Raman spectra predict that cauliflower like structure possesses a higher crystalline nature with less atomic defects compared to nanorod structures. Dye sensitized solar cell (DSSC) is constructed for the optimized cauliflower structure, and open circuit voltage, short circuit density, fill factor and efficiency are estimated from the J-V curve.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Toward improved PVDF-BaTiO 3 composite dielectrics: mechanical activation of the filler versus filler content

Abstract Barium titanate (BT) perovskite particles were surface modified by means of mechanical treatment and used as inorganic component in polyvinylidene fluoride (PVDF) based composites. The changes in electrical properties of the composite films with increasing in filler content were followed by dielectric spectroscopy, breakdown strength andD-Emeasurements. A comparison of the properties of the composites prepared with untreated and mechanically activated particles revealed that there is a significant difference in their performances at low filler concentrations (<20 wt%). Introduction of the surface modified ceramic particles into PVDF matrix led to an increase of the dielectric constant without affecting significantly the electrical breakdown strength. In contrast, when as received BT particles were used a filler, both dielectric constants and breakdown strengths of the composite films were lower than the corresponding values observed for the pure PVDF. At higher concentrations, however, the influence of pre-treatment of the filler on the effective electrical properties becomes less significant. The obtained results were discussed in terms of the pronounced crystallization of polarβandγcrystal phases of PVDF in the presence of surface modified BT fillers, which is confirmed by Raman spectroscopy.

Physics↗
DOE OSTI2026

Kramers nodal line in the charge density wave state of YTe 3 and the influence of twin domains

Recent studies have focused on the relationship between charge density wave (CDW) collective electronic ground states and nontrivial topological states. YTe 3 , a nonmagnetic quasi-two-dimensional chalcogenide, has been reported to exhibit a CDW state below 334 K. Using angle-resolved photoemission spectroscopy (ARPES) and density functional theory (DFT), we establish that YTe 3 is a CDW-induced Kramers nodal line (KNL) metal, a recently proposed topological state of matter. Scanning tunneling microscopy and low energy electron diffraction reveal two orthogonal domains, each with a unidirectional CDW and a similar wave vector (𝐪 CDW ). When the influence of twin domains is considered, the effective band structure (EBS) computations that utilize DFT-calculated bands using a noncentrosymmetric structure determined by x-ray crystallography, show excellent agreement with ARPES. The noncentrosymmetry of YTe 3 is established by Raman spectroscopy. The Fermi surface and ARPES intensity plots show weak shadow bands displaced by 𝐪 CDW from the main bands. Furthermore, these are linked to CDW modulation, as the EBS calculation confirms. Bilayer split main and shadow bands suggest the existence of crossings, according to theory and experiment. DFT bands, including spin-orbit coupling, indicate existence of a KNL along the Σ direction from multiple crossings of bands dispersing perpendicular to it. Additionally, doubly degenerate bands are only found along the KNL at all energies, with some bands dispersing through the Fermi level.

Angle-resolved photoemission spectroscopy↗
DOE OSTI2021

In situ synchrotron diffraction of pressure-induced phase transition in DyPO 4 under variable hydrostaticity

In situ synchrotron x-ray diffraction was conducted on polycrystalline DyPO 4 to elucidate the details of the pressure-induced transition from the xenotime polymorph to the monazite polymorph. We used three different pressure-transmitting media (neon, a 16:3:1 methanol-ethanol-water mixture, and potassium chloride) to investigate the effect of hydrostaticity on the phase behavior. Specifically, our data clearly show a hydrostatic onset pressure of the xenotime-monazite transition of 9.1 GPa, considerably lower than the 15.3 GPa previously determined by Raman spectroscopy. Based on (quasi)hydrostatic data taken in a neon environment, third-order Birch-Murnaghan equation-of-state fits give a xenotime bulk modulus of 144 GPa and a monazite bulk modulus of 180 GPa (both with pressure derivatives of 4.0). Structural data and axial compressibilities show that DyPO 4 is sensitive to shear and has an anisotropic response to pressure. More highly deviatoric conditions cause the onset of the transition to shift to pressures at least as low as 7.0 GPa. We attribute early transition to shear-induced distortion of the PO4 tetrahedra. Finally, our characterization of the high-pressure behavior of DyPO 4 under variable hydrostaticity is critical for advancing rare earth orthophosphate fiber coating applications in ceramic matrix composites and may inform future tailoring of phase composition for controlled shear and pressure applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Effect of microstructural evolution on mechanical and tribological properties of Ti-doped DLC films: How was an ultralow friction obtained?

This paper examined the evolution of microstructure and its effect on the mechanical and tribological properties of ultralow friction Ti-doped diamondlike carbon (DLC) films, by adjusting the CH{sub 4}/Ar ratio under constant radio frequency discharge power and bias. The Raman, high resolution transmission electron microscopy, atomic force microscope and nanoindentation measurements consistently reveal or indicate the formation of curved graphene sheets or fullerenelike nanostructures with increasing CH{sub 4}/Ar ratio. The superior frictional performance (0.008–0.01) of Ti-DLC films can be attributed to the special microstructure related to the development of embedded fullerenelike nanostructures as a result of incorporation of TiO{sub 2} clusters. The contributing factors include high hardness and cohesion, excellent toughness, high load-bearing capacity, as well as the ultralow shear resistance transform layer and the excellent antioxidation stability brought by the doped Ti.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Photodetectors based on single-walled carbon nanotubes and thiamonomethinecyanine J-aggregates on flexible substrates

The present paper is devoted to observations of the photoresistive effect in multilayer structures with a sensitive layer of J-aggregates of thiamonomethinecyanine polymethine dye and a transparent electrode of a conductive carbon-nanotube network on a flexible polyethylenenaphtalate substrate. The effect of narrow-band emission with a wavelength of 465 nm on a change in the conductivity of the fabricated structures is studied. The prepared samples are studied by atomic-force microscopy, Raman spectroscopy, and spectrophotometry methods. It is shown that these structures are photosensitive to the indicated spectral region, and the dye layer is a film of dye J-aggregates. The change in the sample conductivity upon exposure to light one hundred times exceeds the dark conductivity. In general, the principal possibility of developing a photoresistive detector based on J-aggregates of cyanine dyes on flexible supports on account of the use of transparent and conductive carbon-nanotube layers is shown.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Oxygen-Plasma-Induced Hetero-Interface NiFe2O4/NiMoO4 Catalyst for Enhanced Electrochemical Oxygen Evolution

The electrolysis of water to produce hydrogen is an effective method for solving the rapid consumption of fossil fuel resources and the problem of global warming. The key to its success is to design an oxygen evolution reaction (OER) electrocatalyst with efficient conversion and reliable stability. Interface engineering is one of the most effective approaches for adjusting local electronic configurations. Adding other metal elements is also an effective way to enrich active sites and improve catalytic activity. Herein, high-valence iron in a heterogeneous interface of NiFe 2 O 4 /NiMoO 4 composite was obtained through oxygen plasma to achieve excellent electrocatalytic activity and stability. In particular, 270 mV of overpotential is required to reach a current density of 50 mA cm -2 , and the overpotential required to reach 500 mA cm -2 is only 309 mV. The electron transfer effect for high-valence iron was determined by X-ray photoelectron spectroscopy (XPS). The fast and irreversible reconstruction and the true active species in the catalytic process were identified by in situ Raman, ex situ XPS, and ex situ transmission electron microscopy (TEM) measurements. This work provides a feasible design guideline to modify electronic structures, promote a metal to an active oxidation state, and thus develop an electrocatalyst with enhanced OER performance.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Bifacial Photovoltaic Module Degradation Dynamics

In a comprehensive study conducted at NREL's 75 kW bifacial single-axis-tracked field, accelerated degradation was observed in four out of five bifacial silicon photovoltaic (PV) module technologies when compared to their monofacial counterparts. Root cause analysis of accelerated bifacial degradation involved various analytical tools and techniques. This included employing RdTools to identify rates of power loss, conducting measurements on fielded and control modules using infrared imaging, electroluminescence (EL) and photoluminescence (PL), quantum efficiency (QE) analysis, IV-curves assessment, as well as utilizing handheld Raman and reflectance measurement targeted at anti-reflective coating. Most cases pointed to carrier lifetime degradation causing Voc loss and simultaneous Isc loss. In some cases, Isc further decreases likely due to optical effects from encapsulant degradation. The outcomes and methodologies employed in this investigation are documented in this publication. This study's significance is further emphasized by placing the findings within the broader context of the performance and degradation of various bifacial systems, as identified in the PV Fleets data.

bifacial↗