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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Efficient Light Extraction of Organic Light-Emitting Diodes on a Fully Solution-Processed Flexible Substrate

A flexible, nanocomposite substrate for maximizing light outcoupling efficiencies of organic light-emitting diodes (OLEDs) is introduced. In depth investigation is performed on designing the integrated strategy based on considerations of surface conductivity, microcavity tuning, and internal light scattering. The resulting nanocomposite substrate consists of silver nanowires as the electrode and a high-index polymer layer and a light-scattering layer for light extraction. It is able to outcouple both the waveguide and the substrate modes, two modes accounting for significant losses in OLED device efficiency. With enhanced light outcoupling, white OLEDs subsequently fabricated on the nanocomposite substrates demonstrate performance metrics of 107 lm W -1 power efficiency and 49% external quantum efficiency at 1000 cd m -2 . Thus, the nanocomposite substrate is fabricated by solution processes at low temperatures for potentially low manufacturing cost.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2018

Enhanced Light Extraction from OLEDs Fabricated on Patterned Plastic Substrates

A key scientific and technological challenge in organic light-emitting diodes (OLEDs) is enhancing the light outcoupling factor η out , which is typically <20%. This paper reports experimental and modeling results of a promising approach to strongly increase η out by fabricating OLEDs on novel flexible nanopatterned substrates that result in a >2× enhancement in green phosphorescent OLEDs (PhOLEDs) fabricated on corrugated polycarbonate (PC). The external quantum efficiency (EQE) reaches 50% (meaning ηout ≥50%); it increases 2.6x relative to a glass/ITO device and 2× relative to devices on glass/poly(3,4-ethylenedioxythiophene):polystyrene sulfonate (PEDOT:PSS) or flat PC/PEDOT:PSS. A significant enhancement is also observed for blue PhOLEDs with EQE 1.7× relative to flat PC. The corrugated PC substrates are fabricated efficiently and cost-effectively by direct room-temperature molding. These substrates successfully reduce photon losses due to trapping/waveguiding in the organic+anode layers and possibly substrate, and losses to plasmons at the metal cathode. Focused ion beam gauged the conformality of the OLEDs. Dome-shaped convex nanopatterns with height of ~280–400 nm and pitch ~750–800 nm were found to be optimal. Lastly, substrate design and layer thickness simulations, reported first for patterned devices, agree with the experimental results that present a promising method to mitigate photon loss paths in OLEDs.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Techno-economic analysis of three different substrate removal and reuse strategies for III-V solar cells: Techno-economic analysis for III-V solar cells

The high cost of wafers suitable for epitaxial deposition of III-V solar cells has been a primary barrier to widespread use of these cells in low-concentration and one-sun terrestrial solar applications. A possible solution is to reuse the substrate many times, thus spreading its cost across many cells. We performed a bottom-up techno-economic analysis of three different strategies for substrate reuse in high-volume manufacturing: epitaxial lift-off, spalling, and the use of a porous germanium release layer. The analysis shows that the potential cost reduction resulting from substrate reuse is limited in all three strategies--not by the number of reuse cycles achievable, but by the costs that are incurred in each cycle to prepare the substrate for another epitaxial deposition. The dominant substrate-preparation cost component is different for each of the three strategies, and the cost-ranking of these strategies is subject to change if future developments substantially reduce the cost of epitaxial deposition.

14 SOLAR ENERGY↗
DOE OSTI2018

Substrate-Dependent Structure, Magnetic, and Ferroelectric Properties of Multiferroic Bi{sub 0.9}Ba{sub 0.1}FeO{sub 3} Thin Film

The structure characteristic of substrate is a key parameter to modify the structure of as-grown thin film and tune physical properties for oxide thin film materials. Three various substrates are selected to identify the change of structure as well as ferroelectric and magnetic properties of the fabricated Bi{sub 0.9}Ba{sub 0.1}FeO{sub 3} thin film. XRD and TEM combined with AFM were used to confirm the detailed structure and epitaxial growth of Bi{sub 0.9}Ba{sub 0.1}FeO{sub 3} thin film on different substrates. Correspondingly, the changes of the ferroelectric and magnetic properties were investigated. It is found that the lattice mismatch between substrate and thin film significantly promotes the structure distortion of Bi{sub 0.9}Ba{sub 0.1}FeO{sub 3} thin film inducing the change of ferroelectric and magnetic properties. Our results further reveal that the structure characteristic of substrate plays a major role in determining the structure of epitaxial thin film and the enhancement of physical properties, which sheds light to understanding the effect of lattice mismatch in many other functional oxide thin films as well.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Wetting Transition of Nonpolar Neutral Molecule System on a Neutral and Atomic Length Scale Roughness Substrate

One recently proposed new method for accurately determining wetting temperature is applied to the wetting transition occurring in a single component nonpolar neutral molecule system near a neutral planar substrate with roughness produced by cosinusoidal modulation(s). New observations are summarized into five points: (i) for a planar substrate superimposed with one cosinusoidal modulation, with increasing of the periodicity length or the surface attraction force field, or decreasing of the amplitude, wetting temperature T{sub W} drops accordingly and the three parameters show multiplication effect; moreover, both the periodicity length and amplitude effect curves display pole phenomena and saturation phenomena, and the T{sub W} saturation occurs at small (for case of large amplitude) or large (for case of small amplitude) periodicity length side, respectively. (ii) In the case of the planar substrate superimposed with two cosinusoidal modulations with equal periodicity length, the initial phase difference is critical issue that influences the T{sub W}, which decreases with the initial phase difference. (iii) In the case of the planar substrate superimposed with two cosinusoidal modulations with zero phase difference, change of the T{sub W} with one periodicity length under the condition of another periodicity length unchanged is non-monotonous. (iv) When the parameters are chosen such that the T{sub W} draws ever closer to the bulk critical temperature, wetting transition on the roughness substrate eventually does not occur. (v) The present microscopic calculation challenges traditional macroscopic theory by confirming that the atomic length scale roughness always renders the surface less hydrophilic and whereas the mesoscopical roughness renders the surface more hydrophilic. All of these observations summarized can be reasonably explained by the relative strength of the attraction actually enjoyed by the surface gas molecules to the attraction the gas molecules can get when in bulk.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Interaction Between Liquid Steel and AlN Substrate Containing Al-Y-Oxides

Reactions between molten iron, molten silicon steel, and ceramic materials are of great importance from the perspective of the corrosion of refractory material in the steelmaking and continuous casting processes. Reactions between liquid steel and aluminum nitride (AlN) substrate containing Al-Y-oxides were investigated using the sessile drop method at 1833 K (1560 °C). The liquid–substrate interface was observed with the increasing holding time, and the reaction mechanism was studied. In the case of the liquid iron and the silicon steel on the AlN substrate containing Al-Y-oxides, the reaction products on the steel side of the interface between the steel and the substrate were Al-rich Al-Y-oxides and Al{sub 2}O{sub 3} particles. For silicon steel and pure AlN substrate, Al{sub 2}O{sub 3} particles were the main products. Contact angles were lower for liquid iron than for silicon steel due to the higher oxygen content in iron. In addition, the solid–liquid interfacial tension and the work of adhesion between AlN and steel were measured.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Experimental and Modeling Studies on the Microstructures and Properties of Oxidized Aluminum Nitride Ceramic Substrates

Oxidation of aluminum nitride (AlN) ceramic substrates doped with 2 wt.% Y{sub 2}O{sub 3} was performed in air at temperatures ranging from 1000 to 1300 °C for various lengths of time. Microstructure, bending strength, and thermal conductivity of the oxidized AlN substrates were studied experimentally and also via mathematical models. The results show that the oxide layer formed on the AlN substrates is composed of α-Al{sub 2}O{sub 3} nanocrystallines and interconnected micropores. Longitudinal and transverse cracks are induced in the oxide layer under tensile and shear stresses, respectively. Intergranular oxidation of the AlN grains close to the oxide layer/AlN interface also occurs, leading to widening and cracking of the AlN grain boundaries. These processes result in the monotonous degradation of bending strength and thermal conductivity of the oxidized AlN substrates. Two mathematic models concerning these properties of the oxidized AlN substrates versus the oxide layer thickness were put forward. They fit well with the experimental results.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Effects of substrate temperature on properties of NbNx films grown on Nb by pulsed laser deposition

NbN{sub x} films were deposited on Nb substrate using pulsed laser deposition. The effects of substrate deposition temperature, from room temperature to 950 C, on the preferred orientation, phase, and surface properties of NbN{sub x} films were studied by X-ray diffraction, atomic force microscopy, and electron probe micro analyzer. We find that the substrate temperature is a critical factor in determining the phase of the NbN{sub x} films. For a substrate temperature up to 450 C the film showed poor crystalline quality. With temperature increase the film became textured and for a substrate temperature of 650-850 C, mix of cubic {delta}-NbN and hexagonal phases ({beta}-Nb{sub 2}N + {delta}'-NbN) were formed. Films with a mainly {beta}-Nb{sub 2}N hexagonal phase were obtained at deposition temperature above 850 C. The c/a ratio of {beta}-Nb{sub 2}N hexagonal shows an increase with increased nitrogen content. The surface roughness of the NbN{sub x} films increased as the temperature was raised from 450 to 850 C.

36 MATERIALS SCIENCE↗
DOE OSTI2011

A fluorescence assay for elucidating the substrate specificities of deubiquitinating enzymes

Highlights: Black-Right-Pointing-Pointer A deubiquitinating enzyme has its unique substrate specificity for deubiquitination. Black-Right-Pointing-Pointer We have established an activity assay for ubiquitin C-terminal hydrolases. Black-Right-Pointing-Pointer This assay can be applicable to other deubiquitinating enzymes. -- Abstract: Ubiquitin C-terminal hydrolases (UCHs) are a representative family of deubiquitinating enzymes (DUBs), which specifically cleave ubiquitin (Ub) chains or extensions. Here we present a convenient method for characterizing the substrate specificities of various UCHs by fluorescently mutated Ub-fusion proteins (Ub{sup F45W}-Xaa) and di-ubiquitin chains (Ub{sup F45W}-diUb). After removal of the intact substrate by Ni{sup 2+}-NTA affinity, the enzymatic activities of UCHs were quantitatively determined by recording fluorescence of the Ub{sup F45W} product. The results show that three UCHs, i.e. UCH-L1, UCH-L3 and UCH37/UCH-L5, are distinct in their substrate specificities for the Ub-fusions and diUb chains. This assay method may also be applied to study the enzymatic activities and substrate specificities of other DUBs.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2012

Conserved hydrogen bonds and water molecules in MDR HIV-1 protease substrate complexes

Success of highly active antiretroviral therapy (HAART) in anti-HIV therapy is severely compromised by the rapidly developing drug resistance. HIV-1 protease inhibitors, part of HAART, are losing their potency and efficacy in inhibiting the target. Multi-drug resistant (MDR) 769 HIV-1 protease (resistant mutations at residues 10, 36, 46, 54, 62, 63, 71, 82, 84, 90) was selected for the present study to understand the binding to its natural substrates. The nine crystal structures of MDR769 HIV-1 protease substrate hepta-peptide complexes were analyzed in order to reveal the conserved structural elements for the purpose of drug design against MDR HIV-1 protease. Our structural studies demonstrated that highly conserved hydrogen bonds between the protease and substrate peptides, together with the conserved crystallographic water molecules, played a crucial role in the substrate recognition, substrate stabilization and protease stabilization. Additionally, the absence of the key flap-ligand bridging water molecule might imply a different catalytic mechanism of MDR769 HIV-1 protease compared to that of wild type (WT) HIV-1 protease.

conserve hydrogen bonds and water↗
DOE OSTI2014

Structural basis for high substrate-binding affinity and enantioselectivity of 3-quinuclidinone reductase AtQR

Highlights: • Crystal structure of AtQR has been determined at 1.72 Å. • NADH binding induces the formation of substrate binding site. • AtQR possesses a conserved hydrophobic wall for stereospecific binding of substrate. • Additional Glu197 residue is critical to the high binding affinity. - Abstract: (R)-3-Quinuclidinol, a useful compound for the synthesis of various pharmaceuticals, can be enantioselectively produced from 3-quinuclidinone by 3-quinuclidinone reductase. Recently, a novel NADH-dependent 3-quinuclidionone reductase (AtQR) was isolated from Agrobacterium tumefaciens, and showed much higher substrate-binding affinity (>100 fold) than the reported 3-quinuclidionone reductase (RrQR) from Rhodotorula rubra. Here, we report the crystal structure of AtQR at 1.72 Å. Three NADH-bound protomers and one NADH-free protomer form a tetrameric structure in an asymmetric unit of crystals. NADH not only acts as a proton donor, but also contributes to the stability of the α7 helix. This helix is a unique and functionally significant part of AtQR and is related to form a deep catalytic cavity. AtQR has all three catalytic residues of the short-chain dehydrogenases/reductases family and the hydrophobic wall for the enantioselective reduction of 3-quinuclidinone as well as RrQR. An additional residue on the α7 helix, Glu197, exists near the active site of AtQR. This acidic residue is considered to form a direct interaction with the amine part of 3-quinuclidinone, which contributes to substrate orientation and enhancement of substrate-binding affinity. Mutational analyses also support that Glu197 is an indispensable residue for the activity.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

Assessing epitaxial regrowth material quality on a micro-transfer printed GaAs substrate

Micro-transfer printing has demonstrated value for device- and array-level heterogeneous integration in a variety of applications. In this report it is used instead to assemble unique substrates with the potential to enable III–V growth templates that are both low-cost and specified at any desired lattice parameter within the range of III–V materials. Critical to this, epitaxial growth crystal quality must be established as comparable to that produced on conventional epi-ready substrates. We demonstrate epitaxial regrowth on gallium arsenide membranes that were transfer printed from their source substrate and onto a target handle. Both morphology and luminescence properties were characterized. Comparing the transfer printed membrane epitaxy with epitaxy on a conventional substrate, we found recombination rates and spatial uniformity from power-dependent photoluminescence and cathodoluminescence, respectively, to yield similar results, suggesting material quality was not adversely limited by the engineered substrate.

36 MATERIALS SCIENCE↗
DOE OSTI2020

GaAs solar cells grown on intentionally contaminated GaAs substrates

III-V materials such as GaAs and GaInP have some of the best electronic and optical properties of any semiconductor materials, but deposition of these materials relies on high-quality single crystal GaAs substrates for their superior performance. Unfortunately, the cost of these substrates makes these high-efficiency devices only accessible in high-value or niche markets. In this study, we explore the effect of growing bulk GaAs crystals with lower purity input materials in order to reduce their cost. We observe that intentional impurities added to the melt before the crystal growth occurs segregate to the top of the boule. Single junction GaAs solar cells grown on substrates made from contaminated boules showed no performance degradation compared to a high-purity control substrate. These results suggest that lower purity Ga and As source materials can be used during crystal growth to reduce the cost of substrates.

36 MATERIALS SCIENCE↗
DOE OSTI2015

First stage of reaction of molten Al with MgO substrate

The Al/MgO couple was produced in vacuum (~ 5 × 10{sup −} {sup 4} Pa) by contact heating from RT up to 1000 °C and holding at that temperature for 1 h of a small 4 × 4 × 4 mm aluminium (5 N) sample placed on the [100] MgO single crystal substrate. TEM observations backed with electron diffraction analysis indicated that the interaction between liquid aluminium and MgO starts from a redox reaction producing a continuous layer of MgAl{sub 2}O{sub 4} spinel on the substrate surface. Its growth is controlled by solid state out-diffusion of magnesium and oxygen towards the surface being in contact with liquid metal. The thickening of spinel layer is accompanied by its cracking and infiltration with aluminium. The above process enables local dissolution of the MgO substrate and formation in it of a thin region of interpenetrating metallic channels walled with spinel. The removal of dissolved magnesium through open aluminium channels towards the drop and to vacuum locally produces areas of aluminium enriched with dissolved oxygen, which results in the nucleation of α-Al{sub 2}O{sub 3} at spinel clad walls. The growth of α-Al{sub 2}O{sub 3} is controlled only by the dissolution rate of MgO by aluminium, liquid state diffusion of Mg to drop/vacuum and oxygen to the front of the of α-Al{sub 2}O{sub 3} crystallites growing into MgO substrate. - Highlights: • New unique evidence of first stages of interaction of liquid Al with MgO substrates • Interaction of liquid Al with MgO starts with the formation of a layer MgAl{sub 2}O{sub 4}. • Growth of MgAl{sub 2}O{sub 4} is slow as controlled by solid state out-diffusion of Mg and O. • MgAl{sub 2}O{sub 4} serves as a nucleation site for Al{sub 2}O{sub 3} and consumed by it soon after. • Growth of Al{sub 2}O{sub 3} is fast as controlled by diffusion in liquid state.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Fabrication of superhydrophilic and antireflective silica coatings on poly(methyl methacrylate) substrates

Graphical abstract: Self-cleaning and antireflection properties were successfully achieved by assembling (PDDA/S-20){sub n} coatings on PMMA substrates followed by oxygen plasma treatment. Highlights: ► Porous silica coatings were created by layer-by-layer assembly on PMMA substrates. ► Silica coatings were treated by oxygen plasma. ► Porous silica coatings were highly antireflective and superhydrophilic on PMMA substrates. -- Abstract: Silica nanoparticles of ca. 20 nm in size were synthesized, from which hierarchically porous silica coatings were fabricated on poly(methyl methacrylate) (PMMA) substrates via layer-by-layer (LbL) assembly followed by oxygen plasma treatment. These porous silica coatings were highly transparent and superhydrophilic. The maximum transmittance reached as high as 99%, whereas that of the PMMA substrate is only 92%. After oxygen plasma treatment, the time for a water droplet to spread to a contact angle of lower than 5° decreased to as short as 0.5 s. Scanning and transmission electron microscopy were used to observe the morphology and structure of nanoparticles and coating surfaces. Transmission and reflection spectra were recorded on UV–vis spectrophotometer. Surface wettability was studied by a contact angle/interface system. The influence of mesopores on the transmittance and wetting properties of coatings was discussed on the basis of experimental observations.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Carbon molecular beam epitaxy on various semiconductor substrates

Direct graphene growth on semiconductor substrates is an important goal for successful integration of graphene with the existing semiconductor technology. We test the feasibility of this goal by using molecular beam epitaxy on various semiconductor substrates: group IV (Si, SiC), group III–V (GaAs, GaN, InP), and group II–VI (ZnSe, ZnO). Graphitic carbon has been formed on most substrates except Si. In general, the crystallinities of carbon layers are better on substrates of hexagonal symmetry than those on cubic substrates. The flatness of graphitic carbon grown by molecular beam epitaxy is noticeable, which may help the integration with semiconductor structures.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Broadband anti-reflective and water-repellent coatings on glass substrates for self-cleaning photovoltaic cells

Graphical abstract: High performance broadband antireflective and water-repellent coatings were fabricated on glass substrates, which can improve the short-circuit current of solar cells as much as 6.6% in comparison with glass substrates without the coatings. - Highlights: • Broadband anti-reflective and water-repellent coatings were fabricated. • Transmittance increased to 99.0%, significantly higher than that of commercial solar glasses. • The performance of standard solar cells with the AR coating was enhanced as much as 6.6%. - Abstract: High performance broadband antireflective (AR) and water-repellent coatings were fabricated on glass substrates by assembly of silica nanoparticles and polyelectrolytes via the layer-by-layer (LbL) assembly technique, followed by calcination and hydrophobic modification. A porous poly(diallyladimethylammonium chloride) (PDDA)/20 nm SiO{sub 2} nanoparticles (S-20) multilayer coating with AR property was prepared first. The maximum transmittance is as high as 99.0%, while that of the glass substrate is only 91.3%. After calcination and hydrophobic modification, the coating became water-repellent while maintaining the good AR property. Such water-repellent AR coatings can improve the short-circuit current of solar cells as much as 6.6% in comparison with glass substrates without the coatings. Scanning electron microscopy (SEM) was used to observe the morphology and thickness of coatings. Transmission spectra and reflection spectra were characterized by UV–vis spectrophotometer. The surface wettability was studied by a contact angle/interface system.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Structural Basis for Substrate Placement by an Archaeal Box C/D Ribonucleoprotein Particle

Box C/D small nucleolar and Cajal body ribonucleoprotein particles (sno/scaRNPs) direct site-specific 2'-O-methylation of ribosomal and spliceosomal RNAs and are critical for gene expression. Here we report crystal structures of an archaeal box C/D RNP containing three core proteins (fibrillarin, Nop56/58, and L7Ae) and a half-mer box C/D guide RNA paired with a substrate RNA. The structure reveals a guide-substrate RNA duplex orientation imposed by a composite protein surface and the conserved GAEK motif of Nop56/58. Molecular modeling supports a dual C/D RNP structure that closely mimics that recently visualized by electron microscopy. The substrate-bound dual RNP model predicts an asymmetric protein distribution between the RNP that binds and methylates the substrate RNA. The predicted asymmetric nature of the holoenzyme is consistent with previous biochemical data on RNP assembly and provides a simple solution for accommodating base-pairing between the C/D guide RNA and large ribosomal and spliceosomal substrate RNAs.

59 BASIC BIOLOGICAL SCIENCES↗