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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 1,567 records · Page 87
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Structural, morphological, optical and electrical properties of spray deposited lithium doped CdO thin films

In the present work, CdO and Li doped CdO thin films were deposited on microscopic glass substrates at 300°C by a spray pyrolysis experimental setup. The deposited CdO and Li doped CdO thin films were subjected to XRD, SEM, UV-VIS spectroscopy and Hall measurement analyses. XRD studies revealed the polycrystalline nature of the deposited films and confirmed that the deposited CdO and Li doped CdO thin films belong to cubic crystal system. The Scanning electron microscopy analysis revealed the information on shape of CdO and Li doped CdO films. Electrical study reveals the n-type semiconducting nature of CdO and the optical band gap is varied between 2.38 and 2.44 eV, depending on the Li doping concentrations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Kinetics of photo-activated charge carriers in Sn:CdS

Kinetics of the photo-activated charge carriers has been investigated in Tin substituted Cadmium Sulphide, Cd{sub 1-x}Sn{sub x}S (x=0, 0.05, 0.10 and 0.15), thin films prepared by spray pyrolysis. X-Ray Diffraction shows an increase in strain that resulted in the decreased crystallite size upon Sn substitution. At the first sight, the photo current characteristics show a quenching effect on Sn substitution. However, survival of persistent photocurrents is seen even up to 15% of Sn substitution. Transient photo current decay could be explained with a 2τ relaxation model. CdS normally has an n-type character and the Sn doping expected to inject hole carriers. The two fold increase in τ{sub 1}, increase in activation energy and the decrease in photocurrents upon Sn substitution point towards a band gap cleaning scenario that include compensation and associated carrier injection dynamics. In addition Atomic Force Microscopy shows a drastic change in microstructure that modulates the carrier dynamics as a whole.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

200 MeV Ag{sup 15+} ion beam irradiation effects on spray deposited 5 wt% 'Li' doped V{sub 2}O{sub 5} thin film

Lithium 5 wt% doped V{sub 2}O{sub 5} thin film was deposited onto ITO substrate by spray pyrolysis technique. The substrate temperature was kept at 450 °C. 200 MeV Ag{sup 15+} ion beams at a fluence of 5×10{sup 12} ions/cm{sup 2} was irradiated on 5 wt% ‘Li’ doped V{sub 2}O{sub 5} film of thickness 1367 nm. The XRD pattern confirms that the pristine film is non stoichiometry with orthorhombic structure and upon irradiation the crystallinity decreased and an obvious textured growth along (020) plane is induced. Raman peak observed at 917 cm{sup −1} is due to oxygen deficiency. Upon irradiation, the optical transparency and band gap of the film decreased. Electrical transport property study shows that the resistivity increased by one order for the irradiated film.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

The effect of synthesis time on graphene growth from palm oil as green carbon precursor

Graphene is the new material that arises after carbon nanotubes (CNTs) era and has extraordinary optical, electronic and mechanical properties compared to CNTs. The 2D graphene is the sp{sup 2} carbon allotropes compared to other dimensionality. It also can be in three forms that are zero-dimensional, one-dimensional or three-dimensional. The different dimensionality also called fullerenes, nanotubes and graphite. Therefore, the graphene is known as centre potential materials in expanding research area than others ever. The 2 cm × 2 cm silicon wafer was seeded with nickel (Ni) at different thickness by using sputter coater. The palm oil, carbon source, was placed in the precursor furnace and the silicon was placed in the second furnace (deposition furnace). The palm oil will mix with Nitrogen gas was used as carrier gas in the CVD under certain temperature and pressure to undergo pyrolysis proses. The deposition temperature was set at 1000 °C. The deposition time varied from 3 minutes, 5 minutes and 7 minutes. The graphene was growth at ambient pressure in the CVD system. Electron microscopy and Raman Spectrometer revealed the structural properties and surface morphology of the grapheme on the substrate. The D and G band appear approximately at 1350 cm{sup −1} and 1850 cm{sup −1}. It can be concluded that the growth of graphene varies at different deposition time.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Metal-carbon nanocomposites based on activated IR pyrolized polyacrylonitrile

In this paper we report about new approach to preparation of metal-carbon nanocomposites based on activated carbon. Polyacrylonitrile is suggested as a precursor for Co, Pd and Ru nanoparticles carbon support which is prepared under IR pyrolysis conditions of a precursor. The first part of the paper is devoted to study activated carbon structural characteristics dependence on activation conditions. In the second part the effect of type of metal introduced in precursor on metal-carbon nanocomposite structural characteristics is shown. Prepared AC and nanocomposite samples are characterized by BET, TEM, SEM and X-ray diffraction.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Numerical studies of wall–plasma interactions and ionization phenomena in an ablative pulsed plasma thruster

Wall–plasma interactions excited by ablation controlled arcs are very critical physical processes in pulsed plasma thrusters (PPTs). Their effects on the ionization processes of ablated vapor into discharge plasma directly determine PPT performances. To reveal the physics governing the ionization phenomena in PPT discharge, a modified model taking into account the pyrolysis effect of heated polytetrafluoroethylene propellant on the wall–plasma interactions was developed. The feasibility of the modified model was analyzed by creating a one-dimensional simulation of a rectangular ablative PPT. The wall–plasma interaction results based on this modified model were found to be more realistic than for the unmodified model; this reflects the dynamic changes of the inflow parameters during discharge in our model. Furthermore, the temporal and spatial variations of the different plasma species in the discharge chamber were numerically studied. The numerical studies showed that polytetrafluoroethylene plasma was mainly composed of monovalent ions; carbon and fluorine ions were concentrated in the upstream and downstream discharge chamber, respectively. The results based on this modified model were in good agreement with the experimental formation times of the various plasma species. A large number of short-lived and highly ionized carbon and fluorine species (divalent and trivalent ions) were created during initial discharge. These highly ionized species reached their peak density earlier than the singly ionized species.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Ferromagnetic and multiferroic interfaces in granular perovskite composite xLa{sub 0.5}Sr{sub 0.5}CoO{sub 3}-(1−x)BiFeO{sub 3}

Nanopowder of ferromagnetic La{sub 0.5}Sr{sub 0.5}CoO{sub 3} (LSCO) and multiferroic BiFeO{sub 3} (BFO) were synthesized by spray pyrolysis method. Different compositions of multiferroic xLSCO-(1−x)BFO composites were synthesized at 800 °C for 2 h. Scanning electron microscopy and energy dispersive spectroscopy elemental mapping were performed to study the morphology of composites. Ferri/ferromagnetic responses above T{sub C} (LSCO) are observed, which are associated with the interfaces LSCO/BFO. This interface presents a different behavior compared to the original perovskites, and the magnitude of the magnetization depends on x. Electrical DC conductivity as a function of temperature for LSCO nanopowder (x = 1) presents a different behavior than that reported in bulk material. For x = 1 and 0.9, the model by Glazman and Matveev [Zh. Eksp. Teor. Fiz. 94, 332 (1988)] is proposed to describe the electrical conductivity. On the other hand, x = 0, 0.1, and 0.5 present a variable range hopping behavior. Complex impedance spectroscopy as a function of frequency indicates a pure resistive behavior for x ≥ 0.5 compositions, while a complex resistive-capacitive behavior is observed for low x values (0, 0.1). In these samples, low values of magnetoelectric coupling were measured with an AC lock-in technique.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Helium droplet infrared spectroscopy of the butyl radicals

Butyl radicals (n-, s-, i-, and tert-butyl) are formed from the pyrolysis of stable precursors (1-pentyl nitrite, 2-methyl-1-butyl nitrite, isopentyl nitrite, and azo-tert-butane, respectively). The radicals are doped into a beam of liquid helium droplets and probed with infrared action spectroscopy from 2700 to 3125 cm -1 , allowing for a low temperature measurement of the CH stretching region. The presence of anharmonic resonance polyads in the 2800–3000 cm -1 region complicates its interpretation. To facilitate spectral assignment, the anharmonic resonances are modeled with two model Hamiltonian approaches that explicitly couple CH stretch fundamentals to HCH bend overtones and combinations: a VPT2+K normal mode model based on coupled-cluster with single, double, and perturbative triple excitations [CCSD(T)] quartic force fields and a semi-empirical local mode model. Both of these computational methods provide generally good agreement with the experimental spectra.

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

Atomistic insight into the effects of electrostatic fields on hydrocarbon reaction kinetics

Reactive Molecular Dynamics (MD) and Density Functional Theory (DFT) computations are performed to provide insight into the effects of external electrostatic fields on hydrocarbon reaction kinetics. By comparing the results from MD and DFT, the suitability of the MD method in modeling electrodynamics is first assessed. Results show that the electric field-induced polarization predicted by the MD charge equilibration method is in good agreement with various DFT charge partitioning schemes. Then, the effects of oriented external electric fields on the transition pathways of non-redox reactions are investigated. Results on the minimum energy path suggest that electric fields can cause catalysis or inhibition of oxidation reactions, whereas pyrolysis reactions are not affected due to the weaker electronegativity of the hydrogen and carbon atoms. MD simulations of isolated reactions show that the reaction kinetics is also affected by applied external Lorentz forces and interatomic Coulomb forces since they can increase or decrease the energy of collision depending on the molecular conformation. In addition, electric fields can affect the kinetics of polar species and force them to align in the direction of field lines. These effects are attributed to energy transfer via intermolecular collisions and stabilization under the external Lorentz force. The kinetics of apolar species is not significantly affected mainly due to the weak induced dipole moment even under strong electric fields. The dynamics and reaction rates of species are studied by means of large-scale combustion simulations of n-dodecane and oxygen mixtures. Results show that under strong electric fields, the fuel, oxidizer, and most product molecules experience translational and rotational acceleration mainly due to close charge transfer along with a reduction in their vibrational energy due to stabilization. This study will serve as a basis to improve the current methods used in MD and to develop novel methodologies for the modeling of macroscale reacting flows under external electrostatic fields.

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

Silicon carbide fiber composite receiver tubes manufactured by PIP process

The performance of SiC fiber composites made by a polymer infiltration and pyrolysis (PIP) process was investigated. Two types of tubular composites were manufactured using Hi-Nicalon and Nicalon-CG silicon carbide fibers infiltrated with SMP10 silicon carbide matrix. The fiber content in both composites was about 25 vol.% with an average density of 2.39 g/cc. The tubular SiC composites showed stable solar absorptance and emittance of 0.97 and 0.91, respectively, at 800 °C. The composites were thermally shocked at 900, 1000, and 1100 °C with a waterjet simulating raindrops. As a result, the hoop tensile strength of the composites revealed no loss of mechanical strength due to the thermal shock experiments up to 1100 °C.

14 SOLAR ENERGY↗
DOE OSTI2021

Advanced spectrometric methods for characterizing bio-oils to enable refineries to reduce fuel carbon intensity during co-processing

A promising approach for supplementing petroleum-derived fuels to support reductions in green-house gas emissions is to convert abundant biomass feedstocks into renewable carbon-rich oils using pyrolysis. However, the resultant bio-oils contain various oxygenated compounds that can impart acidity, chemical and thermal instability, and immiscibility with petroleum derived fuels, necessitating further upgrading to derive fuel blendstocks. Co-processing bio-oils and petroleum-derived liquids in existing refineries is a potentially near-term, cost-effective approach for upgrading bio-oils while reducing refinery carbon intensities. However, one cause for hesitation in co-processing bio-oils is limited comprehensive characterization and speciation of the bio-oil components. Advanced analytical techniques are currently under investigation to enable identification of elusive species in bio-oils, enabling researchers to develop strategies to mitigate catalyst deactivation agents and contaminants. This review provides a brief overview of several analytical methods commonly used to analyze bio-oils and their limitations. In addition, advanced techniques currently under development are discussed to further elucidate bio-oil components that may limit its end use. This will help inform the technical and economic feasibility of co-processing bio-oils with petroleum-derived liquids, therefore, improving the overall downstream processes for biofuels blendstock production.

09 BIOMASS FUELS↗
DOE OSTI2023

Size effects in 3D–printed polymer–derived, zirconium diboride–reinforced ceramic composites

Preceramic polymers are of interest for use in many manufacturing techniques such as injection molding, ceramic fiber infiltration, and additive manufacturing. However, off-gassing of low molecular weight oligomers occurs when these polymers cure, potentially leading to porosity in the cured part. Here to study how porosity and strength are affected by the size of the printed part, and the presence of a high surface area nano-scale filler, polycarbosilane (PCS) microrods of varying diameter were fabricated via direct ink writing (DIW), an additive manufacturing technique, with two ink formulations containing either zirconium diboride (ZrB 2 ) alone, or ZrB 2 and fumed alumina (FA). Sets of microrods were printed in a range of sizes by using print nozzles of 450, 634, 979, 1 346, or 1 702 μm in diameter, which were thermally cured, pyrolyzed to form ceramic composite microrods, and tested in 3-pt flexure. Porosity increased with increasing diameter, while failure strength decreased. For a given nozzle size, the microrods containing FA displayed lower porosity and higher strength (up to ~500 MPa) compared to the microrods containing only ZrB 2 . Weibull strength analysis was performed on each group of microrods and shows that the addition of FA increased Weibull modulus from 4.63 ± 1.56 to 9.35 ± 0.601. In conjunction with optical microscopy, this analysis indicates two distinct flaw populations in the printed materials, porosity which arises during the curing step and cracking which arises during pyrolysis of the larger specimens.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Crystal structure and phase transitions of Sr{sub 2}Ni{sub 1–y}Mg{sub y}MoO{sub 6} solid solutions

Sr{sub 2}Ni{sub 1–y}Mg{sub y}MoO{sub 6} mixed oxides with a double perovskite structure have been synthesized via the pyrolysis of glycerol–salt mixtures. The phase composition and structure of the samples have been determined using X-ray diffraction and Raman spectroscopy. The temperatures of phase transitions in Sr{sub 2}Ni{sub 1–y}Mg{sub y}MoO{sub 6} with y = 0.25, 0.5, and 0.75 have been determined by high-temperature X-ray diffraction and dilatometry.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Synthesis of ZnO-based nanostructures for heterostructure photovoltaic cells

A model describing heterostructure solar cells based on zinc and copper oxides is developed. Seed layers of ZnO and CuO are synthesized by spray pyrolysis. To form a bulk heterojunction, ZnO nanorods are grown by hydrothermal synthesis. The morphological, electrical and optical properties of the fabricated structures are investigated.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Features of the Initial Stage of the Heteroepitaxy of Silicon Layers on Germanium When Grown from Silicon Hydrides

Data on the dependence of the growth rate of Si layers deposited onto Ge(111) by the hydride method on their thickness at the initial heteroepitaxy stage are reported. The effect of a Ge substrate within ten grown silicon single layers on the Si-film growth rate is demonstrated. Based on the data obtained, the kinetic coefficients responsible for the rate of the main physicochemical processes related to the interaction of hydride molecular beams with the growth surface are calculated. An analysis of the capture probability and rates of pyrolysis of the adsorbed Si(Ge) hydride molecules on the pure Ge(Si) surfaces reveals the dependence of their behavior on the growing-layer thickness. Comparison of the results obtained during Si-layer growth on Ge shows that the pure germanium surface has higher adsorption and catalytic abilities with respect to silane molecules than the pure Si surface. The unstrained pure Si surface has higher adsorption and catalytic characteristics with respect to Ge-hydride molecules.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

A Study of Iron Phthalocyanine Pyrolyzate with Mössbauer Spectroscopy and Transmission Electron Microscopy

A pyrolyzate of iron phthalocyanine is studied by Mössbauer spectroscopy and transmission electron microscopy. The phase composition and magnetic state were found for pyrolysis products (α-Fe, γ-Fe, Fe{sub 3}C, and magnetite). Morphological features of carbon and iron-containing phases (metal particles of various shapes and sizes, as well as carbon nanotubes, carbon hollow nanopolihedra, and nongraphitized carbon) are determined. The morphology and structure of iron phthalocyanine pyrolyzates and diphthalocyanines of rare-earth elements are analyzed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Aerosol Synthesis of Highly Dispersed Y{sub 3}Al{sub 5}O{sub 12}:Ce{sup 3+} Phosphor with Intense Photoluminescence

A simple method of pyrolysis of an aerosol solution of yttrium, aluminum, and cerium nitrates with the addition of urea or citric acid, followed by brief annealing, is developed to obtain a highly dispersed aluminum–yttrium garnet powder that demonstrates intense photoluminescence in the visible light region. Characterization of the synthesized samples (photoluminescence spectra, X-ray diffraction analysis, Raman spectra) showed that intense photoluminescence is achieved only in a narrow window of process conditions, namely, the concentration of nitrate solution and the concentration of citric acid or urea. The photoluminescence intensity increases upon annealing synchronously with an increase in the crystallite size, which, along with the optimal cerium concentration (~0.5 at %), is a determining factor for obtaining high-quality samples. The synthesized powders had intense photoluminescence and high optical perfection, as evidenced by the observation of whispering gallery modes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Field electron emission from a carbon-covered iridium tip

The formation of a carbon coating on an iridium field-emission electron emitter by benzene vapor pyrolysis has been studied. Processes on an emitting tip differ from those studied earlier on flat metal surfaces. The resulting coating either represents a monoatomic graphene film on the flat faces of the emitter or consists of graphene clusters. The field electron emission is localized on the edges and in the corners of a faceted graphite outgrowth. After alkali metals are adsorbed on the carbon coating, emissions from the flat faces anomalously grows and localizes on graphene-coated faces with alkali atoms present on the surface and under the graphene film.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗