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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Influences of alcoholic solvents on spray pyrolysis deposition of TiO{sub 2} blocking layer films for solid-state dye-sensitized solar cells

Influences of alcoholic solvents for titanium diisopropoxide bis(acetylacetonate) (TPA) precursor solutions on the spray pyrolysis deposited TiO{sub 2} films and the photovoltaic performance of the solid-state dye-sensitized solar cells (SDSCs) using these TiO{sub 2} films as the blocking layers were investigated. Smooth TiO{sub 2} films were obtained by spray pyrolysis deposition of a TPA solution in isopropanol (IPA) at a relatively low temperature of 260 Degree-Sign C. On the other hand, when ethanol was used as solvent, the TiO{sub 2} films fabricated at the same temperature showed much rougher surfaces with many pinholes. Our results showed that ethanol reacts with TPA to form titanium diethoxide bis(acetylacetonate) (TEA), which requires a higher thermal decomposition temperature than that of TPA. SDSCs with TiO{sub 2} blocking layer films fabricated using a TPA solution in IPA showed higher power conversion efficiencies with smaller variations. - Graphical abstract: Alcoholic solvents used for the TiO{sub 2} precursor play a critical role in determining the surface morphology of blocking layers and thus the photovoltaic performance of the SDSCs. Highlights: Black-Right-Pointing-Pointer Solvent influences morphology of spray pyrolysis deposited TiO{sub 2} blocking layer. Black-Right-Pointing-Pointer Ethanol reacts with TPA, resulting poor quality of blocking layer. Black-Right-Pointing-Pointer Isopropanol is better than ethanol for obtaining smooth blocking layer. Black-Right-Pointing-Pointer SDSC with blocking layer made with isopropanol showed better performance.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Improvement of adhesion and barrier properties of biomedical stainless steel by deposition of YSZ coatings using RF magnetron sputtering

The AISI 316L stainless steel (SS) has been widely used in both artificial knee and hip joints in biomedical applications. In the present study, yttria stabilized zirconia (YSZ, ZrO{sub 2} + 8% Y{sub 2}O{sub 3}) films were deposited on AISI 316L SS by radio-frequency magnetron sputtering using different power densities (50–250 W) and deposition times (30–120 min) from a YSZ target. The crystallographic orientation and surface morphology were studied using X-ray diffraction (XRD), scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The effects of the surface modification on the corrosion performance of AISI 316L SS were evaluated in phosphate buffered saline (PBS) solution using an electrochemical test on both the virgin and coated samples. The YSZ coatings have a (111) preferred orientation during crystal growth along the c-axis for short deposition times (30–60 min), whereas a polycrystalline structure forms during deposition times from 90 to 120 min. The corrosion protective character of the YSZ coatings depends on the crystal size and film thickness. A significant increase in adhesion and corrosion resistance by at least a factor of 46 and a higher breakdown potential were obtained for the deposited coatings at 200 W (120 min). - Highlights: • Well-formed and protective YSZ coatings were achieved on AISI 316L SS substrates. • Films grown at high power and long deposition time have polycrystalline structures. • The crystal size varies from ∼ 5 to 30 nm as both power and deposition time increased. • The differences of corrosion resistance are attributed to internal film structure.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Aqueous chemical growth of Cu{sub 2}ZnSnS{sub 4} (CZTS) thin films: Air annealing and photoelectrochemical properties

Highlights: ► Facile and efficient route for synthesis of CZTS film. ► Effect of annealing on structural, morphological and electrical properties of CZTS films. ► Solar cell study. - Abstract: In present investigation, Cu{sub 2}ZnSnS{sub 4} (CZTS) thin films have been deposited on to glass substrates by novel chemical successive ionic layer adsorption and reaction (SILAR) method. The effect of air annealing in the temperature range between 573 and 773 K on the structural, morphological, optical and electrical properties has been studied. The X-ray diffraction studies revealed the formation of polycrystalline CZTS films. The surface morphological study showed smooth, compact and uniform film formation after annealing formation. The band gap was in between range from 1.5 to 1.8 eV depending on annealing temperature. The thermo emf measurement revealed that the CZTS exhibits p-type electrical conductivity. Further, photoactivity of CZTS thin films was tested by forming the photoelectrochemical cell.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Compositionally-driven surface nanostructuring on refractory compositionally complex alloys under low energy helium bombardment

Additive manufacturing enables user-defined control of the compositional complexity, opening new design spaces for complex concentrated alloys (CCAs). Refractory CCAs may offer enhanced performance in the divertor region of a fusion reactor environment where plasma-facing materials will be subject to high temperatures, low energy He and D particles, and 14 MeV neutrons. In this work, specimens with the nominal composition of NbTaMoTi, NbTaMo, NbTaTi, and NbTa were fabricated via directed energy deposition (DED) then bombarded with 40 eV He ions to a fluence of 2x10 26 m −2 at ∼ 1000 K. Post irradiation, the surface morphology and composition were examined with electron microscopy and x-ray photoelectron spectroscopy to offer information on the spatial distribution of surface nano-structuring. Sub-surface He bubbles driving the nano-structuring were examined with electron microscopy techniques. Analysis indicates the local composition directly influences the He bubble and tendril size, while the region with the highest complexity showed the shortest nano-structuring. Molecular Dynamics simulations complement the experimental results, showing comparable helium bubble growth and migration as a function of compositional complexity. This work demonstrates the compositional dependence of surface nanostructure formation of compositionally complex alloys, important for future design of complex plasma facing materials in fusion reactors.

Complex concentrated alloys↗
DOE OSTI2018

Elucidating ultrafast electron dynamics at surfaces using extreme ultraviolet (XUV) reflection–absorption spectroscopy

Here we review the recent development of extreme ultraviolet reflection–absorption (XUV-RA) spectroscopy. This method combines the benefits of X-ray absorption spectroscopy, such as element, oxidation, and spin state specificity, with surface sensitivity and ultrafast time resolution, having a probe depth of only a few nm and an instrument response less than 100 fs. Using this technique we investigated the ultrafast electron dynamics at a hematite (α-Fe 2 O 3 ) surface. Surface electron trapping and small polaron formation both occur in 660 fs following photoexcitation. These kinetics are independent of surface morphology indicating that electron trapping is not mediated by defects. Instead, small polaron formation is proposed as the likely driving force for surface electron trapping. We also show that in Fe 2 O 3 , Co 3 O 4 , and NiO, band gap excitation promotes electron transfer from O 2p valence band states to metal 3d conduction band states. In addition to detecting the photoexcited electron at the metal M 2,3 -edge, the valence band hole is directly observed as transient signal at the O L 1 -edge. The size of the resulting charge transfer exciton is on the order of a single metal–oxygen bond length. Spectral shifts at the O L 1 -edge correlate with metal–oxygen bond covalency, confirming the relationship between valence band hybridization and the overpotential for water oxidation. Furthermore, these examples demonstrate the unique ability to measure ultrafast electron dynamics with element and chemical state resolution using XUV-RA spectroscopy. Accordingly, this method is poised to play an important role to reveal chemical details of previously unseen surface electron dynamics.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Diazirine-based photo-crosslinkers for defect free fabrication of solution processed organic light-emitting diodes

The fabrication of solution deposited OLEDs is fraught with difficulties, largely due to the interlayer mixing and surface erosion during sequential deposition of the layers. We demonstrate that these problems can be circumvented by using photopolymerizable diazirine-based cross-linker capable of converting soluble organic materials into highly cross-linked insoluble networks. 3-Trifluoromethyl(aryl)diazirines photolyze readily upon the 10–15 min exposure of 365 nm UV irradiation to generate carbenes, which react with polymers or small molecules via C–H bond insertion producing highly cross-linked materials. This photo-generated cross-linking does not require any catalyst, initiator or short-wavelength UV light and is performed at room temperature, releasing molecular nitrogen as the only byproduct. To show the cross-linked polymer layers do not display inter-layer mixing, we deposited red-emitting regioregular poly(3-hexylthiophene-2,5-diyl) (P3HT) over cross-linked (10% cross-linker) blue emitting dioctyl polyfluorene (PFO) layer. The overlaid layers showed clear and well-defined boundary with no interlayer mixing. The surface morphology of the solution deposited layers was investigated by AFM to show that the cross-linked layers exhibited significant decrease in surface roughness. This is also shown on the example of the hole transporting material 4,4'-bis[N-(1-naphthyl)-N-phenylamino]-biphenyl (NPB) which displayed roughness average to decrease from 6.4 nm to 1.0 nm. The effect of decreased surface roughness on the performance of phosphorescent OLEDs was investigated by fabricating devices with configuration of ITO/PEDOT:PSS/NPB:(0%/5%/10%) cross-linker/MCP:6% Ir(mppy) 3 /TPBI/CsF/Al. Furthermore, following the diazirine-mediated cross-linking, the OLEDs displayed a decrease in turn-on voltage from 3.8 V to 3.0 V along with a six-fold enhancement of external quantum efficiency (EQE max ) from 1.1% to 6.8% and maximum luminous efficiency increase from 3.8 cd A -1 to 22.9 cd A -1 . These results demonstrate that the simple diazirine mediated photo-cross-linking using mild conditions compatible with organic layers is a promising strategy for improving the performance of the solution-processed OLEDs.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Heterojunction thin films based on multifunctional metal oxides for photovoltaic application

Metal oxides based multifunctional heterojunction thin films of ZnO/SnO{sub 2} and ZnO/SnO{sub 2}/CuO QDs were prepared by spin-coating technique. The crystallographic properties and the surface morphologies of the films were studied by X-ray diffraction (XRD) and scanning electron microscopy (SEM), respectively. The optical absorption studies revealed that the film thickness has considerable effect on the band gap values and is found to be in the range of 3.73–3.48 eV. The photoluminescence spectra showed several weak visible emission peaks related to the deep level defects (450-575 nm). Finally, the current density-voltage (J-V) characteristic of ZnO/SnO{sub 2}/CuO QDs (ZSCI) based heterojunction thin film coated on ITO is also reported.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Hexagonally ordered nanodots: Result of substrate rotation during oblique incidence low energy IBS

The anisotropic regular patterns are often results during oblique incidence ion beam sputtering (IBS). Simultaneous substrate rotation (SR) during IBS can suppress surface roughening and removes anisotropic nature of surface pattern. Here, the evolution of Si surface morphology as result of with and without SR is studied during oblique incidence low energy Ar{sup +} sputtering. Resultant topography shows smooth surface to hexagonally ordered nanodots at different rotating conditions. Interestingly, surface roughness exhibits non-monotonic dependence on rotation frequency. The underlying mechanism for dot formation can be described within the framework of isotropic DKS equation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

On the pressure effect in energetic deposition of Cu thin films by modulated pulsed power magnetron sputtering: A global plasma model and experiments

The modulated pulsed power magnetron sputtering (MPPMS) discharge processes are numerically modeled and experimentally investigated, in order to explore the effect of the pressure on MPPMS discharges as well as on the microstructure of the deposited thin films. A global plasma model has been developed based on a volume-averaged global description of the ionization region, considering the loss of electrons by cross-B diffusion. The temporal variations of internal plasma parameters at different pressures from 0.1 to 0.7 Pa are obtained by fitting the model to duplicate the experimental discharge data, and Cu thin films are deposited by MPPMS at the corresponding pressures. The surface morphology, grain size and orientation, and microstructure of the deposited thin films are investigated by scanning electron microscopy, transmission electron microscopy, and x-ray diffraction. By increasing the pressure from 0.1 to 0.7 Pa, both the ion bombardment energy and substrate temperature which are estimated by the modeled plasma parameters decrease, corresponding to the observed transition of the deposited thin films from a void free structure with a wide distribution of grain size (zone T) into an underdense structure with a fine fiber texture (zone 1) in the extended structure zone diagram (SZD). The microstructure and texture transition of Cu thin films are well-explained by the extended SZD, suggesting that the primary plasma processes are properly incorporated in the model. The results contribute to the understanding of the characteristics of MPPMS discharges, as well as its correlation with the microstructure and texture of deposited Cu thin films.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Growth of residual stress-free ZnO films on SiO{sub 2}/Si substrate at room temperature for MEMS devices

ZnO thick Stress relaxed films were deposited by reactive magnetron sputtering on 2”-wafer of SiO{sub 2}/Si at room temperature. The residual stress of ZnO films was measured by measuring the curvature of wafer using laser scanning method and found in the range of 0.18 x 10{sup 9} to 11.28 x 10{sup 9} dyne/cm{sup 2} with compressive in nature. Sputter pressure changes the deposition rates, which strongly affects the residual stress and surface morphologies of ZnO films. The crystalline wurtzite structure of ZnO films were confirmed by X-ray diffraction and a shift in (0002) diffraction peak of ZnO towards lower 2θ angle was observed with increasing the compressive stress in the films. The band gap of ZnO films shows a red shift from ∼3.275 eV to ∼3.23 eV as compressive stress is increased, unlike the stress for III-nitride materials. A relationship between stress and band gap of ZnO was derived and proposed. The stress-free growth of piezoelectric films is very important for functional devices applications.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Synthesis and characterization of FeSe{sub 1−x}Te{sub x} (x=0, 0.5, 1) superconductors

In this study, FeTe{sub 1-x}Se{sub x} (x=0,0.5,1) samples were prepared by conventional solid state reaction method and investigated by powder XRD, SEM, Raman and resistivity measurement techniques to reveal the effect of tellurium (Te) substitution in FeSe matrix. Rietveld analysis was performed on room temperature recorded, X-ray diffraction (XRD) patterns of pure FeSe, FeTe and FeSe{sub 0.5}Te{sub 0.5} which shows that all the compounds are crystallized in a tetragonal structure. SEM images show the dense surface morphology. Raman spectra recorded in the range from 100 to 700 cm{sup −1} at ambient temperature has been interpreted by P4/nmm space group of the lattice. The variation in intensity and shift in peak positions of some phonon modes has been discussed on the basis of variation in crystalline field effect by substituting Te in FeSe lattice. The resistivity versus temperature curves reveals that FeSe becomes superconductor at 7 K and FeSe{sub 0.5}Te{sub 0.5} shows superconductivity below 14 K while FeTe is non-superconducting compound.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1981

Effects of erodant particle shape and various heat treatments on erosion resistance of plain carbon steel

Erosion tests were conducted on 1045 steel samples which had been subjected to different heat treatments. The weight of material removed upon erosion with glass beads and crushed glass was measured. The data show that there is no correlation between hardness and erosion resistance. The erosion rate was strongly dependent on the shape of erodant particles, being an order of magnitude higher for erosion with crushed glass than with glass beads. Heat treatment had a profound effect on the erosion resistance when the erodant particles were glass beads but little or no effect when the particles were crushed glass. It is thus concluded that different mechanisms of material removal are involved with these two erodants. This conclusion is supported by the surface morphology of annealed 1045 steel samples which had been eroded by these two types of erodant particles. SEM micrographs of the eroded surfaces show that for erosion with glass beads it is deformation induced fracture of surface layers.

Salik, J.↗
DOE OSTI2015

Sulfurization of α-MoO{sub 3} nanostructured thin film

In this report, the sulfurization of vertically aligned molybdenum trioxide (α- MoO{sub 3}) nanoflakes (NFs) with high aspect ratio (height/thickness >20) on the nickel coated glass substrates in a mixture of H{sub 2}S and argon gas at atmospheric pressure has been studied. The effect of sulfurization have been investigated to understand the basic reaction mechanism and the morphology, structural properties of grown nanoflakes. XPS and XRD indicate the formation of MoS{sub 2} along with the other intermediate phase such as MoO{sub 2} at temperature 200 °C. The surface morphology of samples have been studied systematically by using scanning electron microscope (SEM). The results demonstrate partial conversion of MoO{sub 3} NFs into MoS{sub 2} along with the change in the morphology of nanoflakes. All the observed results are well in consonance with each other.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Nanopattering in CeOx/Cu(111): A New Type of Surface Reconstruction and Enhancement of Catalytic Activity

Our results indicate that small amounts of an oxide deposited on a stable metal surface can trigger a massive surface reconstruction under reaction conditions. In low-energy electron microscopy (LEEM) experiments, no reconstruction of Cu(111) is observed after chemisorbing oxygen or after reducing O/Cu(111) in a CO atmosphere. On the other hand, LEEM images taken in situ during the reduction of CeO{sub 2}/CuO{sub 1-x}/Cu(111) show a complex nonuniform transformation of the surface morphology. Ceria particles act as nucleation sites for the growth of copper microterraces once CuO{sub 1-x} is reduced. Can this reconstructed surface be used to enhance the catalytic activity of inverse oxide/metal catalysts? Indeed, CeO{sub x} on reconstructed Cu(111) is an extremely active catalyst for the water-gas shift process (CO + H{sub 2}O {yields} H{sub 2} + CO{sub 2}), with the Cu microterraces providing very efficient sites for the dissociation of water and subsequent reaction with CO.

08 HYDROGEN↗
DOE OSTI2015

Influence of calcium on structural and morphological properties of BiMnO{sub 3} thin films

Bi{sub 1-x}Ca{sub x}MnO{sub 3} (x = 0, 0.1, 0.2, 0.4) thin films were deposited on n–type silicon (100) substrate by RF magnetron sputtering. The X-ray diffraction pattern showed that the films were in monoclinic structure with C2 space group. The crystallite size and strain in the prepared films were measured by W-H plot. The surface morphology of the films was examined by atomic force microscope. The thickness of films was measured by thickness monitor in the sputtering system. From the analysis, it has been concluded that the optimum level for calcium doping is 20 at.% in the Bi site of BiMnO{sub 3} thin film, which will lead a way for further research in the Ca doped BiMnO{sub 3} system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Giant Isotope Effect of Thermal Conductivity in Silicon Nanowires

Isotopically purified semiconductors potentially dissipate heat better than their natural, isotopically mixed counterparts as they have higher thermal conductivity (κ). But the benefit is low for Si at room temperature, amounting to only ~10% higher κ for bulk 28 Si than for bulk natural Si ( nat Si). Here we show that in stark contrast to this bulk behavior, 28 Si (99.92% enriched) nanowires have up to 150% higher κ than nat Si nanowires with similar diameters and surface morphology. Using a first-principles phonon dispersion model, this giant isotope effect is attributed to a mutual enhancement of isotope scattering and surface scattering of phonons in nat Si nanowires, correlated via transmission of phonons to the native amorphous SiO 2 shell. The Letter discovers the strongest isotope effect of κ at room temperature among all materials reported to date and inspires potential applications of isotopically enriched semiconductors in microelectronics.

36 MATERIALS SCIENCE↗
NASA NTRS1975

Scanning electron microscope investigation of the structural growth in thick sputtered coatings

Sputtered S-Monel, silver, and 304 stainless steel coatings and molybdenum disulfide coatings were deposited on mica and metal substrates with various surface finishes to investigate the structural growth of the coating by scanning electron microscopy. The geometry and the surface morphology of the nodules are characterized. Compositional changes within the coating were analyzed by energy dispersive X-ray analysis. Defects in the surface finish act as preferential nucleation sites and form isolated overlapping and complex nodules and various unusual surface overgrowths on the coating. The nodule boundaries are very vulnerable to chemical etching and these nodules do not disappear after full annealing. Further, they have undesirable effects on mechanical properties; cracks are initiated at the nodules when the coating is stressed by mechanical forces.

Spalvins, T.↗
DOE OSTI2011

Study on mechanism of photocatalytic performance of La-doped TiO{sub 2}/Ti photoelectrodes by theoretical and experimental methods

TiO{sub 2} photoelectrodes with various nanostructures have been successfully prepared by the anodization method. The morphology, microstructure and optical properties of as-prepared photoelectrodes were studied by scanning electron microscopy (SEM), X-ray diffraction (XRD), ultraviolet/visible light diffuse reflectance spectra (UV/vis/DRS), surface photovoltage spectroscopy (SPS) and photocurrent. The electronic structure and optical properties of La doped/undoped TiO{sub 2} photoelectrodes with different crystal structures were calculated by the density function theory. The photocatalytic and photoelectrocatalytic activities of as-prepared photoelectrodes were evaluated. The results showed that the anodization potentials played a crucial role in the surface morphology and microstructure. Both results of theoretical calculations and experimental tests demonstrated that La-doped photoelectrodes were more sensitive to light than undoped one. The difference of photoelectrodes performance was ascribed to the crystal configuration, impurity energy levels and long-range orientation moving of photogenerated carriers. - Graphical abstract: Photophysical chemistry processes in as-prepared TiO{sub 2} photoelectrodes. Overall scheme of TiO{sub 2} photoelectrodes: (A) movement of photoelectrons and holes without bias potentials; (B) movement of photoelectrons and holes at applied bias potentials; (a) and (b) were the transmission of photogenerated electrons and holes of local enlargement of (A) (black open circle): (a) photoelectrons movement in P-TiO{sub 2} photoelectrodes and La-TiO{sub 2} photoelectrodes, the red dot line denotes the top of valence band (VB) and the bottom of conduction band (CB) of pure photoelectrodes; (b) photoelectrons movement in P-160 and La-160 TiO{sub 2} photoelectrodes (mixed crystal phase). The number refers to as follows: (1) transmission process of photoelectrons and holes; (2) recombination process of photoelectrons and holes. Arrows represent the moving direction of photoelectrons. Highlights: Black-Right-Pointing-Pointer Morphology and structure of La-doped photoelectrodes. Black-Right-Pointing-Pointer Band gap and electric structure of La-doped and undoped photoelectrodes. Black-Right-Pointing-Pointer Optical, PECH, PC and PEC properties of La-TiO{sub 2} photoelectrodes. Black-Right-Pointing-Pointer Transmission process of photoelectron-hole pairs in La-TiO{sub 2} photoelectrodes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗