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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Highly Enhanced Luminescence Performance of LEDs via Controllable Layer‐Structured 3D Photonic Crystals and Photonic Crystal Beads

Abstract Controllable layer‐structured 3D photonic crystals (PCs) are prepared using the combination of the Langmuir–Blodgett (LB) technique and layer‐by‐layer stacking method. They are used for research into the influence of the number of the layers on the enhancement of the efficiency of light emission from light‐emitting diodes (LEDs) and quantum dots (QDs). The luminescence properties of blue, green, and white LEDs are improved dramatically while applying such controllable layer‐structured 3D PCs as reflectors and the enhancement efficiencies are shown to increase with PC thickness. In addition, the fluorescence intensity increases 7.8‐fold and 5.4‐fold for red and green QDs, respectively, and the fluorescence intensity can be accurately controlled by using PCs with different layers. In addition, PC beads with yellow and red photonic bandgaps are used to improve the luminescence of a white LED with angle‐independent enhancement. These beads are simply doped into the phosphor without any other treatment. Interestingly, the light intensity of the PC bead based LED is remarkably enhanced. These quantized enhanced effect of light intensity on the thickness of PC layers, along with new generation of PC bead based LED, might offer a strategy for designing high brightness LEDs with energy‐saving performance.

Tian, Yu↗
DOE OSTI2016

Anisotropic Superconducting Gaps and Boson Mode in FeSe 1–x S x Single Crystals

Scanning tunneling spectroscopy has been used to investigate the superconducting gaps of FeSe 1–x S x single crystals and to reveal signatures of a bosonic mode in the quasiparticle density of states. We find that both superconducting gaps residing on different pockets of the Fermi surface are anisotropic. Moreover, the bosonic mode appears in the quasiparticle density of states as a redistribution of states at energy Ω/e, measured with respect to the superconducting gap. The energy of the boson mode Ω is found to scale with the superconducting gap and it can be estimated to be in the range 2.6 ÷ 3.8 meV in agreement with a recent observation of a resonance spin excitation in neutron scattering. Furthermore, this suggests that quasiparticle interaction with this mode are important for superconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

The X-ray crystal structure of Shewanella oneidensis OmcA reveals new insight at the microbe-mineral interface

The x-ray crystal structure of Shewanella oneidensis OmcA, an extracellular decaheme cytochrome involved in mineral reduction, was solved to a resolution of 2.7 Å. The four OmcA molecules in the asymmetric unit were arranged so the distance between heme-5 on adjacent OmcA monomers was less than 1 nm, indicative of a transient OmcA dimer capable of intermolecular electron transfer. A previously identified hematite binding motif was identified near heme 10, forming a hydroxylated surface that would bring a heme-10 electron egress site to ~ 1 nm of mineral surface.

shewanella oneidensis OmcA↗
DOE OSTI2016

Synchrotron X-ray topographic study on nature of threading mixed dislocations in 4H–SiC crystals grown by PVT method

Synchrotron X-ray Topography is a powerful technique to study defects structures particularly dislocation configurations in single crystals. Complementing this technique with geometrical and contrast analysis can enhance the efficiency of quantitatively characterizing defects. In this study, the use of Synchrotron White Beam X-ray Topography (SWBXT) to determine the line directions of threading dislocations in 4H–SiC axial slices (sample cut parallel to the growth axis from the boule) is demonstrated. This technique is based on the fact that the projected line directions of dislocations on different reflections are different. Another technique also discussed is the determination of the absolute Burgers vectors of threading mixed dislocations (TMDs) using Synchrotron Monochromatic Beam X-ray Topography (SMBXT). This technique utilizes the fact that the contrast from TMDs varies on SMBXT images as their Burgers vectors change. By comparing observed contrast with the contrast from threading dislocations provided by Ray Tracing Simulations, the Burgers vectors can be determined. Thereafter the distribution of TMDs with different Burgers vectors across the wafer is mapped and investigated.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Characterization of high energy Xe ion irradiation effects in single crystal molybdenum with depth-resolved synchrotron microbeam diffraction

Microbeam X-ray diffraction experiments were conducted at beam line 34-ID of the Advanced Photon Source (APS) on fission fragment energy Xe heavy ion irradiated single crystal Molybdenum (Mo). Lattice strain measurements were obtained with a depth resolution of 0.7 mu m, which is critical in resolving the peculiar heterogeneity of irradiation damage associated with heavy ion irradiation. Q-space diffraction peak shift measurements were correlated with lattice strain induced by the ion irradiations. Transmission electron microscopy (TEM) characterizations were performed on the as-irradiated materials as well. Nanometer sized Xe bubble microstructures were observed via TEM. Molecular Dynamics (MD) simulations were performed to help interpret the lattice strain measurement results from the experiment. This study showed that the irradiation effects by fission fragment energy Xe ion irradiations can be collaboratively understood with the depth resolved X-ray diffraction and TEM measurements under the assistance of MD simulations. (c) 2015 Elsevier B.V. All rights reserved.

Yun, Di (ORCID:0000000297673214)↗
DOE OSTI2016

Component effects on crystallization of RE-containing aluminoborosilicate glass

Lanthanide-aluminoborosilicate (LABS) glass is one option for immobilizing rare earth (RE) oxide fission products generated during reprocessing of pyroprocessed fuel. This glass system can accommodate a high loading of RE oxides and has excellent chemical durability. The present study describes efforts to model equilibrium crystallinity as a function of glass composition and temperature as well as liquidus temperature (TL) as a function of glass composition. The experimental method for determining TL was ASTM C1720-11. Typically, three crystalline phases were formed in each glass: Ce-borosilicate (Ce 3 BSi 2 O 10 ), mullite (Al 10 Si 2 O 19 ), and corundum (Al 2 O 3 ). Cerianite (CeO 2 ) was a common minor crystalline phase and Nd-silicate (Nd 2 Si 2 O 7 ) occurred in some of the glasses. In the composition region studied, TL decreased as SiO 2 and B 2 O 3 fractions increased and strongly increased with increasing fractions of RE oxides; Al 2 O 3 had a moderate effect on the TL but, as expected, it strongly affected the precipitation of Alcontaining crystals.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Unravelling Solid-State Redox Chemistry in Li 1.3 Nb 0.3 Mn 0.4 O 2 Single-Crystal Cathode Material

Recent reports on high capacities delivered by Li-excess transition-metal oxide cathodes have triggered intense interest in utilizing reversible oxygen redox for high-energy battery applications. To control oxygen electrochemical activities, fundamental understanding of redox chemistry is essential yet has so far proven challenging. In the present study, micrometer-sized Li 1.3 Nb 0.3 Mn 0.4 O 2 single crystals were synthesized for the first time and used as a platform to understand the charge compensation mechanism during Li extraction and insertion. We explicitly demonstrate that the oxidation of O 2- to O n - (0 < n < 2) and O 2 loss from the lattice dominates at 4.5 and 4.7 V, respectively. While both processes occur in the first cycle, only the redox of O 2- /O n - participates in the following cycles. The lattice anion redox process triggers irreversible changes in Mn redox, which likely causes the voltage and capacity fade observed on this oxide. Two drastically different redox activity regions, a single-phase behavior involving only Mn 3+/4+ and a two-phase behavior involving O 2- /O n - (0 ≤ n < 2), were found in Li x Nb 0.3 Mn 0.4 O 2 (0 < x < 1.3). Morphological damage with particle cracking and fracturing was broadly observed when O redox is active, revealing additional challenges in utilizing O redox for high-energy cathode development.

25 ENERGY STORAGE↗
DOE OSTI2018

Photochemical Formation and Transformation of Birnessite: Effects of Cations on Micromorphology and Crystal Structure

As important components with excellent oxidation and adsorption activity in soils and sediments, manganese oxides affect the transportation and fate of nutrients and pollutants in natural environments. In this work, birnessite was formed by photocatalytic oxidation of Mn 2+ aq in the presence of nitrate under solar irradiation. The effects of concentrations and species of interlayer cations (Na + , Mg 2+ , and K + ) on birnessite crystal structure and micromorphology were investigated. The roles of adsorbed Mn 2+ and pH in the transformation of the photosynthetic birnessite were further studied. The results indicated that Mn 2+ aq was oxidized to birnessite by superoxide radicals (O 2 •– ) generated from the photolysis of NO 3 – under UV irradiation. The particle size and thickness of birnessite decreased with increasing cation concentration. The birnessite showed a plate-like morphology in the presence of K + , while exhibited a rumpled sheet-like morphology when Na + or Mg 2+ was used. The different micromorphologies of birnessites could be ascribed to the position of cations in the interlayer. The adsorbed Mn 2+ and high pH facilitated the reduction of birnessite to low-valence manganese oxides including hausmannite, feitknechtite, and manganite. Finally, this study suggests that interlayer cations and Mn 2+ play essential roles in the photochemical formation and transformation of birnessite in aqueous environments.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Crystal Structure of AgBi 2 I 7 Thin Films

Synthesis of cubic-phase AgBi 2 I 7 iodobismuthate thin films and fabrication of air-stable Pb-free solar cells using the AgBi 2 I 7 absorber have recently been reported. Based on X-ray diffraction (XRD) analysis and nominal composition, it was suggested that the synthesized films have a cubic ThZr 2 H 7 crystal structure with AgBi 2 I 7 stoichiometry. Through careful examination of the proposed structure and computational evaluation of the phase stability and bandgap, we find that the reported “AgBi 2 I 7 ” films cannot be forming with the ThZr 2 H 7 -type structure, but rather more likely adopt an Ag-deficient AgBiI 4 type. Both the experimental X-ray diffraction pattern and band gap can be better explained by the AgBiI 4 structure. Additionally, the proposed AgBiI 4 structure, with octahedral bismuth coordination, removes unphysically short Bi–I bonding within the BiI8 hexahedra of the ThZr 2 I 7 model. Our results provide critical insights for assessing the photovoltaic properties of AgBi 2 I 7 iodobismuthate materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗