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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 1,639 records · Page 91
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Pressure-Induced Stabilization of Terbium(IV) in CsTb(CrO 4 ) 2 Characterized by X-ray Absorption Spectroscopy

Single crystals of CsTb(CrO 4 ) 2 and CsDy(CrO 4 ) 2 , where the lanthanide metals are in the trivalent state under ambient conditions, have been investigated under high-pressure conditions on the gigapascal scale utilizing a diamond anvil cell. These compounds were characterized by single-crystal X-ray diffraction in addition to high-pressure solid-state UV-vis-NIR spectroscopy, Raman spectroscopy, and Tb L 3 -edge highenergy- resolution fluorescence-detected X-ray absorption near-edge structure (HERFD-XANES). The high-pressure UV-vis-NIR spectra reveal strong broadening of the metal-to-ligand charge transfer band to lower energies, associated with a visible color change from yellow to dark red/black. Clear evidence for the stabilization of Tb 4+ under high pressure is provided by the appearance of a second edge feature characteristic of Tb 4+ , starting at 19.62 GPa in the high-pressure L 3 -edge HERFD-XANES at around 7528 eV. This represents the first example of Tb 4+ being stabilized by high pressure and expands upon the limited chemistry of terbium in the tetravalent state.

Anions↗
DOE OSTI2025

Gradient-based optimization of complex nanoparticle heterostructures enabled by deep learning on heterogeneous graphs

Applications of deep learning (DL) to design nanomaterials are hampered by a lack of suitable data representations and training data. Here, in this study, we report efforts to overcome these limitations and leverage DL to optimize the nonlinear optical properties of core–shell upconverting nanoparticles (UCNPs). UCNPs, which have applications in fields such as biosensing, super-resolution microscopy and three-dimensional printing, can emit visible and ultraviolet light from near-infrared excitations. We report a large-scale dataset of UCNP emission spectra based on accurate but expensive kinetic Monte Carlo simulations (N > 6,000) and use these data to train a heterogeneous graph neural network using a physically motivated representation of UCNP nanostructure. Applying gradient-based optimization on the trained graph neural network, we identify structures with 6.5× higher predicted emission under 800-nm illumination than any UCNP in our training set. Our work reveals design principles for UCNP heterostructures and presents a roadmap for DL-based inverse design of nanomaterials.

Sivonxay, Eric [Lawrence Berkeley National Laborat↗
DOE OSTI2025

Alkali triel chalcogenide nanocrystals: a molecular reactivity approach to ternary phase selectivity

Alkali-metal-based materials are promising building blocks for energy conversion and storage technologies. Here, we use a molecular reactivity-based solution-phase approach to selectively synthesize multiple phases and specific polymorphs of lithium- and sodium-containing triel chalcogenide nanocrystals, LiTrCh 2 , NaTrCh 2 , and NaTr 3 Ch 5 , where Tr = Ga and In and Ch = S, Se, and Te. Analogous to the case of binary II–VI and III–V tetrahedral semiconductors, where the two commonly isolated zinc blende and wurtzite polymorphs are separated by only 1–50 meV f.u. −1 , we find that LiTrCh 2 nanocrystals easily adopt tetragonal (chalcopyrite) and orthorhombic polymorphs separated by only 2.7–6.2 meV f.u. −1 Because of this small energy difference, soft colloidal synthesis succeeds in accessing either one of these polymorphs, depending on the specific dichalcogenide precursor used. Highly reactive diethyl diselenide favors the thermodynamically more stable tetragonal I$\bar{4}2$d phase, whereas mildly reactive diphenyl diselenide favors the kinetic, metastable orthorhombic Pna2 1 phase. Density functional theory calculations confirm the relative energies among multiple LiTrCh 2 polymorphs and also model the observed powder X-ray diffraction pattern of a new C2 NaIn 3 Te 5 phase. 7 Li, 69 Ga, and 77 Se solid-state NMR spectra are consistent with phase-pure ternary LiGaSe 2 nanocrystals. A majority of the nanocrystal compositions are visible-light emitters. This work opens the door to new Li/Na-based ternary triel chalcogenide nanostructures for energy storage and conversion applications.

Pavel, Md Riad Sarkar [Iowa State Univ., Ames, IA ↗
DOE OSTI2016

Growth and characterization of V{sub 2}O{sub 5} nanorods deposited by spray pyrolysis at low temperatures

Vanadium pentoxide (V{sub 2}O{sub 5}) nanorods were deposited by spray pyrolysis on preheated glass substrates at low temperatures. The influence of substrate temperature on the crystallization of V{sub 2}O{sub 5} has been investigated. X-ray diffraction analysis (XRD) revealed that the films deposited at T{sub sub} = 300°C were orthorhombic structures with preferential along (001) direction. Formation of nanorods from substrate surface which led to the formation of films with small-sized and rod-shaped nanostructure is observed by field scanning electron microscopy. Optical transmittance in the visible range increases to reach a maximum value of about 80% for a substrate temperature of 350°C. PL spectra reveal one main broad peak centered around 540 nm with high intensity.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

WASP-117 b: An Eccentric Hot Saturn as a Future Complex Chemistry Laboratory

We present spectral analysis of the transiting Saturn-mass planet WASP-117 b, observed with the G141 grism of the Hubble Space Telescope's (HST) Wide Field Camera 3. We reduce and fit the extracted spectrum from the raw transmission data using the open-source software Iraclis before performing a fully Bayesian retrieval using the publicly available analysis suite TauREx 3.0. We detect water vapor alongside a layer of fully opaque cloud, retrieving a terminator temperature of T{sub term}=833{sub -156}{sup +260} K. In order to quantify the statistical significance of this detection, we employ the atmospheric detectability index (ADI), deriving a value of ADI = 2.30, which provides positive but not strong evidence against the flat-line model. Due to the eccentric orbit of WASP-117 b, it is likely that chemical and mixing timescales oscillate throughout orbit due to the changing temperature, possibly allowing warmer chemistry to remain visible as the planet begins transit, despite the proximity of its point of ingress to apastron. We present simulated spectra of the planet as would be observed by the future space missions such as the Atmospheric Remote-sensing Infrared Exoplanet Large-survey and the James Webb Space Telescope and show that, despite not being able to probe such chemistry with current HST data, these observatories should make it possible in the not too distant future.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Fourier Spectroscopy as a Method of Investigation of Photoelectric Properties of Organic Systems

A new method of investigation of photoelectric properties of layered thin-film structures based on broadband Fourier spectroscopy exhibiting a harmonically modulated optical delay is proposed. In contrast to traditional approaches to study photoelectric properties, which are based on application of dispersive spectral devices, the proposed method allows not only simultaneously covering the ultraviolet, visible, and infrared spectral ranges, while demonstrating a wide dynamic range and high spectral resolution, but also easily varying low-frequency modulation of the action of light. The capabilities of the method are demonstrated using a polycrystalline organic heterostructure as an example. Its spectral sensitivity, speed, and specific detectivity are measured. A model and an equivalent electric circuit are proposed for explanation of the results of the measurements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

The core-shell-structured NaYF4:Er3+,Yb3+@NaYF4:Eu3+ nanocrystals as dual-mode and multifunctional luminescent mechanism for high-performance dye-sensitized solar cells

Highlights: • NaYF{sub 4}:Er{sup 3+},Yb{sup 3+}@NaYF{sub 4}:Eu{sup 3+} nanocrystals have been successfully prepared. • Higher quality NYFEY@NYFE with dual-mode emission was demonstrated. • The conversion efficiency of the DSSCs with NYFEY@NYFE reaches 7.37%. • Up-conversion luminescence was completed by Er{sup 3+} ions from infrared to visible light. • Down-conversion luminescence was fulfilled by Eu{sup 3+} ions from ultraviolet to visible light. - Abstract: The core-shell-structured NaYF{sub 4}:Er{sup 3+},Yb{sup 3+}@NaYF{sub 4}:Eu{sup 3+} (NYFEY@NYFE) nanocrystals with dual-mode emission have been satisfactorily prepared through a solvothermal method utilizing oleic acid and octadecene. From the emission spectra of dual-mode luminescent nanocrystals, it could be seen that nanocrystals consisted of two disparate units, one supplying up-converting luminescence excited with the 980 nm laser and the other providing down-converting luminescence by means of ultraviolet excitation, which are assigned to {sup 4}S{sub (3/2)} → {sup 4}I{sub (15/2)} transitions of Er{sup 3+} and {sup 5}D{sub 0} → {sup 7}F{sub 2} transitions of Eu{sup 3+}, separately. And then, a novel photoelectrode structure via introducing dual-mode luminescent materials was proposed. The photoelectric conversion efficiency of DSSCs with NYFEY@NYFE photoelectrode attains 7.37%, raised by a factor of 1.37 in comparison to that of the DSSCs without Eu{sup 3+} and Er{sup 3+} doping. The preparation of dual-mode NYFEY@NYFE not only has great significance to the study of material itself but its application in DSSCs, and can be also applied to other types of solar cells.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2013

USING HIGH-RESOLUTION OPTICAL SPECTRA TO MEASURE INTRINSIC PROPERTIES OF LOW-MASS STARS: NEW PROPERTIES FOR KOI-314 AND GJ 3470

We construct high signal-to-noise 'template' spectra by co-adding hundreds of spectra of nearby dwarfs spanning K7 to M4, taken with Keck/HIRES as part of the California Planet Search. We identify several spectral regions in the visible (370-800 nm) that are sensitive to the stellar luminosity and metallicity. We use these regions to develop a spectral calibration method to measure the mass, metallicity, and distance of low-mass stars, without the requirement of geometric parallaxes. Testing our method on a sample of nearby M dwarfs, we show that we can reproduce stellar masses to about 8%-10%, metallicity to {approx}0.15 dex, and distance to 11%. We were able to make use of HIRES spectra obtained as part of the radial velocity monitoring of the star KOI-314 to derive a new mass estimate of 0.57 {+-} 0.05 M{sub Sun }, a radius of 0.54 {+-} 0.05 R{sub Sun }, a metallicity, [Fe/H], of -0.28 {+-} 0.10, and a distance of 66.5 {+-} 7.3 pc. Using HARPS archival data and combining our spectral method with constraints from transit observations, we are also able to derive the stellar properties of GJ 3470, a transiting planet hosting M dwarf. We estimate a mass of 0.53 {+-} 0.05 M{sub Sun }, a radius of 0.50 {+-} 0.05 R{sub Sun }, a metallicity, [Fe/H], of 0.12 {+-} 0.12, and a distance of 29.9{+-}{sub 3.4}{sup 3.7} pc.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

RESOLVING THE MOTH AT MILLIMETER WAVELENGTHS

HD 61005, also known as ''The Moth'', is one of only a handful of debris disks that exhibit swept-back ''wings'' thought to be caused by interaction with the ambient interstellar medium (ISM). We present 1.3 mm Submillimeter Array observations of the debris disk around HD 61005 at a spatial resolution of 1.''9 that resolve the emission from large grains for the first time. The disk exhibits a double-peaked morphology at millimeter wavelengths, consistent with an optically thin ring viewed close to edge-on. To investigate the disk structure and the properties of the dust grains we simultaneously model the spatially resolved 1.3 mm visibilities and the unresolved spectral energy distribution (SED). The temperatures indicated by the SED are consistent with expected temperatures for grains close to the blowout size located at radii commensurate with the millimeter and scattered light data. We also perform a visibility-domain analysis of the spatial distribution of millimeter-wavelength flux, incorporating constraints on the disk geometry from scattered light imaging, and find suggestive evidence of wavelength-dependent structure. The millimeter-wavelength emission apparently originates predominantly from the thin ring component rather than tracing the ''wings'' observed in scattered light. The implied segregation of large dust grains in the ring is consistent with an ISM-driven origin for the scattered light wings.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

DO MAGNETIC FIELDS DESTROY BLACK HOLE ACCRETION DISK g-MODES?

Diskoseismology, the theoretical study of normal-mode oscillations in geometrically thin, optically thick accretion disks, is a strong candidate for explaining some quasi-periodic oscillations in the power spectra of many black hole X-ray binary systems. The existence of g-modes, presumably the most robust and visible of the modes, depends on general relativistic gravitational trapping in the hottest part of the disk. As the existence of the required cavity in the presence of magnetic fields has been put into doubt by theoretical calculations, we will explore in greater generality what effect the inclusion of magnetic fields has on the existence of g-modes. We use an analytical perturbative approach on the equations of MHD to assess the impact of such effects. Our main conclusion is that there appears to be no compelling reason to discard g-modes. In particular, the inclusion of a non-zero radial component of the magnetic field enables a broader scenario for cavity non-destruction, especially taking into account recent simulations’ saturation values for the magnetic field.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

Influence of In doping on the structural, photo-luminescence and alcohol response characteristics of the SnO{sub 2} nanoparticles

Graphical abstract: When the sample is exposed to air, the atmospheric oxygen O{sub 2} adsorbs on the sample surface in the form of ionic species O{sup −} by capturing electrons from the conduction band. The adsorbed ionic species O{sup −} react with the test alcohol molecules and are responsible for sensing mechanism. - Highlights: • In-doped SnO{sub 2} samples show smaller crystallinity with crystallite size: ∼7–9 nm. • EDX analyses confirm the incorporation of indium ions in the SnO{sub 2} lattice. • Raman spectra are consistent with the results of XRD and SAED pattern. • Alcohol response has been found to increase with the indium dopant concentration. • 3 at% In-doped sample exhibits maximum response (96.5%) to propan-2-ol at 250 °C. - Abstract: Undoped and In-doped SnO{sub 2} nanoparticles were synthesized by the co-precipitation method. Upon In doping, the samples exhibit reduced crystallinity as compared to the undoped SnO{sub 2}. The Raman spectra of the undoped samples exhibit three fundamental peaks at 467.3, 633.4 and 774.6 cm{sup −1} corresponding to E{sub g}, A{sub 1g} and B{sub 2g} vibration modes, respectively. The PL spectra show two strong emission bands at the wavelengths 417 nm and 479 nm, along with five weak emission peaks in the visible region. Alcohol response characteristics of the In-doped SnO{sub 2} samples were investigated for various concentrations (10–50 ppm) at different operating temperatures (150–250 °C). Among all the samples examined, the 3 at% In-doped SnO{sub 2} sample shows maximum response (96.5%) to propan-2-ol, followed by ethanol (92%) and methanol (90%) at the operating temperature of 250 °C for 50 ppm concentration. For each test alcohol, the response has been found to increase with the In dopant concentration.

36 MATERIALS SCIENCE↗
DOE OSTI2016

SU-F-T-166: On the Nature of the Background Visible Light Observed in Fiber Optic Dosimetry of Proton Beams

Purpose: The nature of the background visible light observed during fiber optic dosimetry of proton beams, whether it is due to Cherenkov radiation or not, has been debated in the literature recently. In this work, experimentally and by means of Monte Carlo simulations, we shed light on this problem and investigated the nature of the background visible light observed in fiber optics irradiated with proton beams. Methods: A bare silica fiber optics was embedded in tissue-mimicking phantoms and irradiated with clinical proton beams with energies of 100–225 MeV at Roberts Proton Therapy Center. Luminescence spectroscopy was performed by a CCD-coupled spectrograph to analyze in detail the emission spectrum of the fiber tip across the visible range of 400–700 nm. Monte Carlo simulation was performed by using FLUKA Monte Carlo code to simulate Cherenkov light and ionizing radiation dose deposition in the fiber. Results: The experimental spectra of the irradiated silica fiber shows two distinct peaks at 450 and 650 nm, whose spectral shape is different from that of Cherenkov radiation. We believe that the nature of these peaks are connected to the point defects of silica including oxygen-deficiency center (ODC) and non-bridging oxygen hole center (NBOHC). Monte Carlo simulations confirmed the experimental observations that Cherenkov radiation cannot be solely responsible for such a signal. Conclusion: We showed that Cherenkov radiation is not the dominant visible signal observed in bare fiber optics irradiated with proton beams. We observed two distinct peaks at 450 and 650 nm whose nature is connected with the point defects of silica fiber including oxygen-deficiency center and non-bridging oxygen hole center.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

Synthesis of Ag{sub 9}(SiO{sub 4}){sub 2}NO{sub 3} through a reactive flux method and its visible-light photocatalytic performances

Ag{sub 9}(SiO{sub 4}){sub 2}NO{sub 3} was prepared by a reactive flux method. The structures, morphologies, and light absorption properties were investigated. Owing to the polar crystal structure, an internal electric field can be formed inside the material, which can facilitate the photogenerated charge separation during the photocatalytic process. Based on both the wide light absorption spectra and high charge separation efficiency originated from the polarized internal electric field, Ag{sub 9}(SiO{sub 4}){sub 2}NO{sub 3} exhibit higher efficiency over Ag{sub 3}PO{sub 4} during the degradation of organic dyes under visible light irradiation, which is expected to be a potential material for solar energy harvest and conversion.

36 MATERIALS SCIENCE↗
DOE OSTI2015

A facile method to prepare mesoporous anatase TiO{sub 2} materials in water at lower temperatures

Highlights: • Mesoporous anatase TiO{sub 2} was prepared in water at lower temperatures than 90 °C. • The specific surface areas of as-prepared TiO{sub 2} are in the range of 235–345 m{sup 2} g{sup −1}. • The as-prepared TiO{sub 2} possesses high UV or visible light photocatalytic activity. - Abstract: Mesoporous anatase TiO{sub 2} has been successfully prepared in water at lower temperatures than 90 °C. Firstly, amorphous TiO{sub 2} gels were prepared by conventional sol–gel method at room temperature with tetrabutyl titanate as precursor, and then TiO{sub 2} gels were directly put into water at temperatures of 50–90 °C for 0.5–10 h to form mesoporous anatase TiO{sub 2}. The as-prepared mesoporous TiO{sub 2} was characterized by XRD, TEM, FTIR, Raman, UV–vis DRS, DSC–TGA, and XPS. The results showed that mesoporous anatase TiO{sub 2} contained some organic residuals, the mean size of the TiO{sub 2} nanocrystals was in the range of 3.5–5.4 nm, and their BET specific surface areas were in the range of 235–345 m{sup 2} g{sup −1}. The photocatalytic activity of as-prepared TiO{sub 2} was obviously higher than those of the commercial TiO{sub 2} (P25) and TiO{sub 2} calcined at 450 °C for 3 h under UV or visible light irradiation.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Evolution of structural and optical properties of photocatalytic Fe doped TiO{sub 2} thin films prepared by RF magnetron sputtering

Undoped and Fe doped TiO{sub 2} thin films have been prepared by RF magnetron sputtering. Pure TiO{sub 2} thin film exhibited an amorphous-like nature. With increase in iron concentration (0–0.1 at%), the films exhibited better crystallization to anatase phase . Red shift of absorption edge was observed in the UV-vis transmittance spectra . At higher Fe concentration (0.5 at%), onset of phase transformation to rutile is noticed. Photocatalytic properties of pure and 0.1 at% Fe doped TiO{sub 2} thin films were investigated by degradation of methylene blue in UV light, visible light and light from Hg vapor lamp. 70% degradation of methylene blue was observed in the presence of Fe doped film in comparison with 3% degradation in presence of pure TiO{sub 2} film when irradiated using visible light for 2 h.

36 MATERIALS SCIENCE↗
DOE OSTI2015

On the photo-luminescence properties of sol–gel derived undoped and Dy{sup 3+} ion doped nanocrystalline Scheelite type AMoO{sub 4} (A = Ca, Sr and Ba)

Nanocrystalline Scheelite type Dy doped AMoO{sub 4} [where A = Ba, Sr and Ca] samples were prepared by acrylamide assisted sol–gel process and characterized by XRD, FT-Raman, FTIR, SEM and photoluminescence (PL). PL of undoped sample shows blue/green emission in CaMoO{sub 4} and SrMoO{sub 4} but multicolour visible emission leading to near white light in BaMoO{sub 4} nanoparticles; the origin of which is explained. It was observed that on doping 0.5 mol% of Dy{sup 3+} in molybdate samples complete energy transfer takes place in case of SrMoO{sub 4} and BaMoO{sub 4}, but host contributed substantially in Dy doped BaMoO{sub 4} sample, resulting in biexponential decay. It was also observed that symmetry around Dy{sup 3+} decreases as the size of alkaline earth ion increases. Due to combined blue, yellow and red colour emission in dysprosium doped sample; all samples showed near white light emission under UV and near UV excitation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

METALLICITY AND AGE OF THE STELLAR STREAM AROUND THE DISK GALAXY NGC 5907

Stellar streams have become central to studies of the interaction histories of nearby galaxies. To characterize the most prominent parts of the stellar stream around the well-known nearby ( d = 17 Mpc) edge-on disk galaxy NGC 5907, we have obtained and analyzed new, deep gri Subaru/Suprime-Cam and 3.6 μ m Spitzer /Infrared Array Camera observations. Combining the near-infrared 3.6 μ m data with visible-light images allows us to use a long wavelength baseline to estimate the metallicity and age of the stellar population along an ∼60 kpc long segment of the stream. We have fitted the stellar spectral energy distribution with a single-burst stellar population synthesis model and we use it to distinguish between the proposed satellite accretion and minor/major merger formation models of the stellar stream around this galaxy. We conclude that a massive minor merger (stellar mass ratio of at least 1:8) can best account for the metallicity of −0.3 inferred along the brightest parts of the stream.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Characterization of ZnO thin films grown on different p-Si substrate elaborated by solgel spin-coating method

Highlights: • High quality ZnO thin films grown on different p-Si substrates were successful obtained by sol–gel process. • PL measurement revealed that ZnO thin film grown on porous Si has the better optical quality. • I–V characteristics for all heterojunctions exhibit successful diode formation. • The diode ZnO/PSi shows a better photovoltaic effect under illumination with a maximum {sub Voc} of 0.2 V. - Abstract: In this study, ZnO thin films are deposited by sol–gel technique on p-type crystalline silicon (Si) with [100] orientation, etched silicon and porous silicon. The structural analyses showed that the obtained thin films were polycrystalline with a hexagonal wurtzite structure and preferentially oriented along the c-axis direction. Morphological study revealed the presence of rounded and facetted grains irregularly distributed on the surface of all samples. PL spectra at room temperature revealed that ZnO thin film grown on porous Si has a strong UV emission with low defects in the visible region comparing with ZnO grown on plat Si and etched Si surface. The heterojunction parameters were evaluated from the (I–V) under dark and illumination at room temperature. The ideality factor, barrier height and series resistance of heterojunction grown on different p-Si substrates are determined by using different methods. Best electrical properties are obtained for ZnO layer deposited on porous silicon.

36 MATERIALS SCIENCE↗