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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 1,675 records · Page 93
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Optical properties of colloidal aqueous synthesized 3 mercaptopropionic acid stabilized CdS quantum dots

We have explored an easiest and simplest aqueous route to synthesize bright green luminescent CdS QDs using 3-Mercaptopropionic acid (MPA) as a stabilizer in air ambient for solar cell applications. The CdS quantum dots showed a strong quantum confinement effect with good stability, size and excellent photoluminescence. MPA Capping on CdS QDs was confirmed through FTIR. The Optical absorption spectrum revealed the CdS quantum dots are highly transparent in the visible region with absorption peak at 380 nm, confirming the quantum confinement. Photoluminescence showed an emission peak at 525 nm wavelength. The optical band gap energy was found to be 3.19 eV and CdS quantum dots radius calculated using Brus equation is 1.5 nm. The results are presented and discussed in detail.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Porous CoFe{sub 2}O{sub 4} nanowire arrays on carbon cloth as binder-free anodes for flexible lithium-ion batteries

Highlights: • Hierarchal CoFe{sub 2}O{sub 4} nanowire arrays are directly grown on flexible carbon cloth. • Porous CoFe{sub 2}O{sub 4} nanowires are composed of many nanocrystals of 20–40 nm. • CoFe{sub 2}O{sub 4} nanowire arrays exhibit excellent rate capability and cycling stability. • Integrated CoFe{sub 2}O{sub 4}/carbon cloth electrodes show high flexibility and areal capacity. - Abstract: A three-dimensional CoFe{sub 2}O{sub 4} nanowire array on carbon cloth was fabricated with a hydrothermal method together with a post-annealing treatment. As a binder-free and flexible anode material for LIBs, it showed an improved electrochemical performance with high cycling stability and excellent rate capability. It exhibited an initial discharge capacity of 1615 mAh g{sup −1} and retained a reversible capacity of about 1204 mAh g{sup −1} after 200 cycles at a specific current of 500 mA g{sup −1}. The high capacity, outstanding rate performance and cycling stability can be attributed to the special configuration of hierarchal porous CoFe{sub 2}O{sub 4} nanowires on carbon cloth, which possess many advantages like short diffusion length, easy strain relaxation and fast electron transport. Moreover, the integrated CoFe{sub 2}O{sub 4} nanowires/carbon cloth electrode shows high flexibility and high areal capacity (2.41 mAh cm{sup −2}), which makes it suitable for use as a binder-free anode to build flexible LIBs.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Structural, elastic, electronic and phonon properties of SnX{sub 2}O{sub 4} (X=Mg, Zn, Cd) spinel from density functional theory

First-principle calculations of structural, electronic, elastic and phonon properties of SnMg{sub 2}O{sub 4}, SnZn{sub 2}O{sub 4} and SnCd{sub 2}O{sub 4} compounds are presented, using the pseudo-potential plane waves approach based on density functional theory (DFT) within the generalized gradient approximation (GGA). The computed ground state structural parameters, i.e. lattice constants, internal free parameter and bulk modulus are in good agreement with the available theoretical results. Our calculated elastic constants are indicative of stability of SnX{sub 2}O{sub 4} (X=Mg, Zn, Cd) compounds in the spinel structure. The partial density of states (PDOS) of these compounds is in good agreement with the earlier ab-initio calculations. The phonon dispersion relations were calculated using the direct method. Phonon dispersion results indicate that SnZn{sub 2}O{sub 4} is dynamically stable, while SnMg{sub 2}O{sub 4} and SnCd{sub 2}O{sub 4} are unstable.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Shape dependent electronic properties of wurzite GaN nanowire

In the present work, energetic stability and electronic behavior of triangular and square shaped wurzite GaN NW oriented along [1100] and [11 2 0] direction has been investigated by employing ab-initio DFT calculation. Structural analysis suggests that triangular shaped NW undergoes strong surface reconstruction compared to square shaped NW. However, binding energy reveals that square shaped NW is energetically more feasible than triangular NW. Further, from electronic band structure we observe that both structures are metallic with higher metallicity for triangular shaped NW.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Controllable synthesis of cobalt oxide nanoflakes on three-dimensional porous cobalt networks as high-performance cathode for alkaline hybrid batteries

Highlights: • Construct self-supported porous Co networks. • Porous Co/CoO composite films show high capacity and good cycling life. • Porous conductive metal network is favorable for fast ion/electron transfer. - Abstract: Herein we report porous three-dimensional cobalt networks supported CoO nanoflakes by the combination of successive electro-deposition methods. The electrodeposited Co networks have average large pores of ∼5 μm and all the branches are composed of interconnected nanoparticles. CoO nanoflakes with thickness of ∼15 nm are uniformly coated on the Co networks forming self-supported Co/CoO composite films. The as-prepared Co/CoO composite films possess combined properties of porous structure and strong mechanical stability. As cathode for alkaline hybrid batteries, the Co/CoO composite films exhibit good electrochemical performances with high capacity of 83.5 mAh g{sup −1} at 1 A g{sup −1} and stable high-rate cycling life (65 mAh g{sup −1} at 10 A g{sup −1} after 15,000 cycles). The hierarchical porous architecture provides positive roles in the enhancement of electrochemical properties, including fast electronic transportation path, short diffusion of ions and high contact area between the active material and the electrolyte.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Development of a super high speed motor-generator and controller

To develop a super high speed motor-generator, it is essential to deal with magnetic analysis, dynamic analysis, and experimental evaluation of the heart of the MTG (Microturbine Generator) system, the motor-generator. An amorphous core is applied to a stator core for reduction of iron loss at high speed, and the motor-generator is analyzed with considerations focused on magnetic losses and the statistical optimum design. The performance of the amorphous core is validated by the analysis and experiment by back-to-back tests considering the AC load. Rotor dynamics is performed for dynamic stability at high speed using transient analysis orbit diagrams and compared with the experimental results. The simulation results of the generator are compared with the experiment. Also a super high speed controller of the MTG system is developed using a sensorless algorithm, power stack, gate driver, digital signal processing, analog circuit, and radiation heat design. Based on these results, a high speed motor-generator and controller are successfully developed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

χ{sup (3)} measurements of axial ligand modified high valent tin(IV) porphyrins using degenarete four wave mixing at 532nm

Porphyrins and metalloporphyrins are unique class of molecules for Nonlinear Optical applications because of their unique structure of altering the central metal atom, large extended π-system, high thermal stability, tunable shape, symmetry and synthetic versatility Here, we report χ{sup (3)} Measurements of a simple phenyl porphyrins and its highvalent tin(IV) porphyrins with Bromination characterized by UV-Visible spectroscopic method. In this study, we employed the Degenerate Four Wave Mixing technique using forward Boxcar geometry with an Nd:YAG nano second pulsed laser as source and it was found that the tin(IV) porphyrin with Bromination exhibits good χ{sup (3)} value and figure of merit.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Effect of Sb substitution on crystal structure, texture and hard magnetic properties of melt-spun MnBi alloys

Melt-spun Mn 50 Bi 50-x Sb x alloys with x ≤ 5 were prepared at different solidification rates and characterized both in the as-spun state and after annealing. In the as-spun alloys, the Sb substitution leads to the formation of a metastable phase, similar to the binary "quenched high-temperature phase" but without the superstructure of the latter and exhibiting a different – increasing – temperature dependence of coercivity. The new nanocrystalline metastable phase is not only itself characterized by a high room-temperature coercivity (in excess of 20 kOe), but upon annealing it transforms into a high-coercivity (up to 13.5 kOe) "low-temperature" α phase. However, the advantage of obtaining a high coercivity without the otherwise required milling made possible by the Sb substitution is undermined by the absence of a local crystallographic texture in the melt-spun alloys. The best combination of the isotropic hard magnetic properties realized for the Mn 55 Bi 43.5 Sb 1.5 composition is a remanence of 35.5 emu/g and a coercivity of 8.1 kOe. The annealed Sb-free Mn 50 Bi 50 alloys did possess a local crystallographic alignment and, for high solidification rates, a moderate coercivity up to 5.6 kOe; however, they had an inadequate "rectangularity" in the demagnetization curve. The orthorhombic compound known as MnBi 0.9 Sb 0.1 and described earlier as antiferromagnetic was obtained in the annealed ribbons with x ≈ 5. The compound was found to order ferromagnetically between 200 K and ≈250 K and to exhibit a significant coercivity, 14.3 kOe at 50 K. Here, it is suggested that the MnBi 0.9 Sb 0.1 may actually be a Sb-stabilized "new phase" observed earlier as metastable in the Bi–MnBi eutectic alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Stability and electronic properties of SiC nanowire adsorbed on MoS{sub 2} monolayer

Structural stability and electronic properties of silicon carbide (SiC) nano-wire on MoS{sub 2} monolayer are investigated within the framework of density functional theory (DFT). The preferred binding site for the SiC nano-wire is predicted to be hollow site of monolayer. In the electronic band structure the states in valence band near Fermi level are mainly due to nano-wire leading to reduction of band gap relative to monolayer. These results provide a platform for their applications in optoelectronic devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

Ionic Conductivity And Structural Relaxation Studies on Lithium Niobophosphate Glass

Niobium pentoxide (Nb{sub 2}O{sub 5}) increases the chemical and thermal stability of otherwise hygroscopic alkali phosphate glasses and also enhances the conduction characteristics. Ion dynamics and structural relaxation have been investigated for mol%50Li{sub 2}0-45P{sub 2}0{sub 5}-5Nb{sub 2}O{sub 5}. The non-linearity parameter 'x' in the Tool-Narayanaswamy model is evaluated using the dependence of fictive and glass transition temperatures on the cooling and heating rates.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Gas dynamic aspects of silicon thin layers deposition using excitation of a free jet of the working gas mixture by an electron beam

A film of microcrystalline silicon ({mu}c-Si:H) deposited at low temperature is a promising material for thin-film silicon solar cells with high efficiency and high stability. To deposit silicon thin films with high deposition rate and high quality, a novel gas-jet deposition method has been developed. The paper is devoted to experimental and numerical study of the method from the gas dynamic point of view. A numerical model of the flow field of the working gas mixture in the device was developed that provides predictions of the film thickness distribution over the substrate surface and was found to describe the measured data satisfactory. The model may be used to optimize the operating parameters of the device.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Growth of light-emitting SiGe heterostructures on strained silicon-on-insulator substrates with a thin oxide layer

The possibility of using substrates based on “strained silicon on insulator” structures with a thin (25 nm) buried oxide layer for the growth of light-emitting SiGe structures is studied. It is shown that, in contrast to “strained silicon on insulator” substrates with a thick (hundreds of nanometers) oxide layer, the temperature stability of substrates with a thin oxide is much lower. Methods for the chemical and thermal cleaning of the surface of such substrates, which make it possible to both retain the elastic stresses in the thin Si layer on the oxide and provide cleaning of the surface from contaminating impurities, are perfecte. It is demonstrated that it is possible to use the method of molecular-beam epitaxy to grow light-emitting SiGe structures of high crystalline quality on such substrates.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Li{sub 2}SO{sub 4}−Li{sub 2}O−P{sub 2}O{sub 5} ionic glass dispersed with [Bmim] [PF{sub 6}] ionic liquid: Electrical transport and thermal stability investigations

A fast ionic composite is prepared by dispersion of Ionic liquid [Bmim][PF{sub 6}] in Li{sub 2}SO{sub 4}−Li{sub 2}O−P{sub 2}O{sub 5} glass matrix by mixing and through grinding. Amorphous/glassy nature of the samples is confirmed by X-Ray diffraction (XRD). Surprisingly, the electrical conductivity of the samples is found to be increasing by ∼ 2 orders of magnitude and exhibits typical Arrhenius behavior with low activation energy. DC polarization and impedance spectroscopy measurements suggest that samples are essentially ionic in nature. The conductivity isotherms were also obtained at different temperatures (T < 100 °C) and found to be appreciably stable at least for ∼ 10 days.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Influence of temperature and frequency on ionic conductivity of Li{sub 3}PO{sub 4}–Pb{sub 3}(PO{sub 4}){sub 2}–BiPO{sub 4} phosphate glasses

Highlights: • Results of ionic conductivities of Li{sub 3}PO{sub 4}–Pb{sub 3}(PO{sub 4}){sub 2}–BiPO{sub 4} phosphate glasses. • Determination of glass transition temperature using DSC method. • Study of temperature and frequency on ionic conductivity of Li{sub 3}PO{sub 4}–Pb{sub 3}(PO{sub 4}){sub 2}–BiPO{sub 4} phosphate glasses. - Abstract: Lithium–Lead–Bismuth phosphates glasses having, a composition 30Li{sub 3}PO{sub 4}–(70 − x)Pb{sub 3}(PO{sub 4}){sub 2}–xBiPO{sub 4} (45 ≤ x ≤ 60 mol%) were prepared by using the melt quenching method 1000 °C. The thermal stability of theses glasses increases with the substitution of Bi{sub 2}O{sub 3} with PbO. The ionic conductivity of all compositions have been measured over a wide temperature (200–500 °C) and frequency range (1–106 Hz). The ionic conductivity data below and above T{sub g} follows Arrhenius and Vogel–Tamman–Fulcher (VTF) relationship, respectively. The activation energies are estimated and discussed. The dependence in frequency of AC conductivity is found to obey Jonscher’s relation.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Effect of compressive stress on stability of N-doped p-type ZnO

Nitrogen-doped p-type zinc oxide (p-ZnO:N) thin films were fabricated on a-/c-plane sapphire (a-/c-Al{sub 2}O{sub 3}) by plasma-assisted molecular beam epitaxy. Hall-effect measurements show that the p-type ZnO:N on c-Al{sub 2}O{sub 3} degenerated into n-type after a preservation time; however, the one grown on a-Al{sub 2}O{sub 3} showed good stability. The conversion of conductivity in the one grown on c-Al{sub 2}O{sub 3} ascribed to the faster disappearance of N{sub O} and the growing N{sub 2(O)}, which is demonstrated by x-ray photoelectron spectroscopy (XPS). Compressive stress, caused by lattice misfit, was revealed by Raman spectra and optical absorption spectra, and it was regarded as the root of the instability in ZnO:N.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Cu impurity in insulators and in metal-insulator-metal structures: Implications for resistance-switching random access memories

We present numerical results from atomistic simulations of Cu in SiO{sub 2} and Al{sub 2}O{sub 3}, with an emphasis on the thermodynamic, kinetic, and electronic properties. The calculated properties of Cu impurity at various concentrations (9.91 × 10{sup 20 }cm{sup −3} and 3.41 × 10{sup 22 }cm{sup −3}) in bulk oxides are presented. The metal-insulator interfaces result in up to a ∼4 eV reduction in the formation energies relative to the crystalline bulk. Additionally, the importance of Cu-Cu interaction in lowering the chemical potential is introduced. These concepts are then discussed in the context of formation and stability of localized conductive paths in resistance-switching Random Access Memories (RRAM-M). The electronic density of states and non-equilibrium transmission through these localized paths are studied, confirming conduction by showing three orders of magnitude increase in the electron transmission. The dynamic behavior of the conductive paths is investigated with atomistic drift-diffusion calculations. Finally, the paper concludes with a molecular dynamics simulation of a RRAM-M cell that attempts to combine the aforementioned phenomena in one self-consistent model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Photoconductivity study of acid on Zinc phthalocyanine pyridine thin films

The Metal Phthalocyanine (MPc) have attracted much interest because of chemical and high thermal stability. Molecules forming a crystal of MPc are held together by weak attractive Vander Waals forces. Organic semiconductors have π conjugate bonds which allow electrons to move via π-electron cloud overlaps. Conduction mechanisms for organic semiconductor are mainly through tunneling; hopping between localized states, mobility gaps, and phonon assisted hopping. The photo conductivity of thin films of these complexes changes when exposed to oxidizing and reducing gases. Arrhenius plot is used to find the thermal activation energy in the intrinsic region and impurity scattering region. Arrhenius plotsare used to find the thermal activation energy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

The role of orbital order in the stabilization of the (π, 0) ordered magnetic state in a minimal two-band model for iron pnictides

Spin wave excitations and stability of the (π, 0) ordered magnetic state are investigated in a minimal two-band itinerant-electron model for iron pnictides. Presence of hopping anisotropy generates a strong ferro-orbital order in the d{sub xz} and d{sub yz} Fe orbitals in the (π, 0) state. The orbital order sign is as observed in experiments. The induced ferro-orbital order strongly enhances the spin wave energy scale and stabilizes the magnetic state by optimizing the strength of the emergent antiferromagnetically and ferromagnetically spin couplings through optimal band fillings in the two orbitals. The calculated spin-wave dispersion is in quantitative agreement with neutron scattering measurements. Finite inter-orbital Hund's coupling is shown to further enhance the spin wave energies state by coupling the two magnetic sub-systems. A more realistic two-band model with less hopping anisotropy is also considered, which yields not only the circular hole pockets but also correct ferro-orbital order and emergent F spin coupling.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗