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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 1,315 records · Page 73
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Sono-Assisted Surface Energy Driven Assembly of 2D Materials on Flexible Polymer Substrates: A Green Assembly Method Using Water

The challenges in achieving a green and scalable integration of two-dimensional (2D) materials with flexible polymer substrates present a major barrier for the application of 2D materials, such as graphene, MoS2, and h-BN for flexible devices. Here, we create a sono-assisted surface energy driven assembly (SASEDA) method that can achieve foot-scale to micrometer-scale assembly of 2D materials, form a conductive network in as short as 10 s, and build hierarchical and hybrid flexible devices such as sensors, resistors, and capacitors by using water as the dispersion solvent. SASEDA highlights two counterintuitive innovations. First, we use an 'unfavorable' solvent (i.e., water) for both 2D materials (e.g., graphene, MoS2, and h-BN) and polymer substrates (e.g., polydimethylsiloxane) to drive the assembly process. Second, we use a weak sono-field (0.3 W/cm2) generated by a regular sonication bath cleaner to enhance the assembly efficiency and reorganize and unify the assembly network. This method and its principle pave the way toward affordable large-scale 2D material-based flexible devices.

2D material↗
DOE OSTI2017

Fiber-Coupled Substrate-Integrated Hollow Waveguides: An Innovative Approach to Mid-infrared Remote Gas Sensors

Here, in this study, an innovative approach based on fiberoptically coupled substrate-integrated hollow waveguide (iHWG) gas cells for the analysis of low sample volumes suitable for remote broad- and narrow-band mid-infrared (MIR; 2.5–20 μm) sensing applications is reported. The feasibility of remotely addressing iHWG gas cells, configured in a double-pass geometry via a reflector, by direct coupling to a 7-around-1 mid-infrared fiber bundle is demonstrated, facilitating low-level hydrocarbon gas analysis. For comparison studies, two iHWGs with substrate dimensions of 50 × 50 × 12 mm (L × W × H) and geometric channel lengths of 138 and 58.5 mm, serving as miniature light-guiding gas cells, were fiber-coupled to a Fourier transform infrared spectrometer enabling broadband MIR sensing. In addition to the fundamental feasibility of this concept, the achievable sensitivity toward several gaseous hydrocarbons and the reproducibility of assembling the fiber-iHWG interface were investigated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

A Substrate-Integrated and Scalable Templated Approach Based on Rusted Steel for the Fabrication of Polypyrrole Nanotube Arrays

We report here a facile, generalizable, and entirely scalable approach for the fabrication of vertically aligned arrays of Fe{sub 2}O{sub 3}/polypyrrole core-shell nanostructures and polypyrrole nanotubes. Our 'all electrochemical' approach is based on the fabrication of {alpha}-Fe{sub 2}O{sub 3} nanowire arrays by the simple heat treatment of commodity low carbon steel substrates, followed by electropolymerization of conformal polypyrrole sheaths around the nanowires. Subsequently, electrochemical etching of the nanowires yields large-area vertically aligned polypyrrole nanotube arrays on the steel substrate. The developed methodology is generalizable to functionalized pyrrole monomers and represents a significant practical advance of relevance to the technological implementation of conjugated polymer nanostructures in electrochromics, electrochemical energy storage, and sensing.

36 MATERIALS SCIENCE↗
DOE OSTI2011

In Situ X-Ray Fluorescence Measurements During Atomic Layer Deposition: Nucleation and Growth of TiO2 on Planar Substrates and in Nanoporous Films

Synchrotron-based X-ray fluorescence (XRF) is introduced as a promising in situ technique to monitor atomic layer deposition cycle-per-cycle. It is shown that the technique is greatly suitable to study initial nucleation on planar substrates. The initial growth of TiO{sub 2} from tetrakis(dimethylamino)titanium (TDMAT) and H{sub 2}O is found to be linear on thermally grown SiO{sub 2}, substrate-inhibited on H-terminated Si and substrateenhanced on atomic layer deposited Al{sub 2}O{sub 3}. Furthermore, in situ XRF is employed to monitor the Ti uptake during deposition of TiO{sub 2} in nanoporous silica films. In mesoporous films, the Ti content varied quadratically with the number of cycles, a behavior that is attributed to a decreasing surface area with progressing deposition. In microporous films, the XRF data suggest that 1-3 ALD cycles shrunk the pore diameters below the kinetic diameter of the TDMAT molecule.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

Structure of Human O-GlcNAc Transferase and its Complex with a Peptide Substrate

The essential mammalian enzyme O-linked {beta}-N-acetylglucosamine transferase (O-GlcNAc transferase, here OGT) couples metabolic status to the regulation of a wide variety of cellular signalling pathways by acting as a nutrient sensor. OGT catalyses the transfer of N-acetylglucosamine from UDP-N-acetylglucosamine (UDP-GlcNAc) to serines and threonines of cytoplasmic, nuclear and mitochondrial proteins, including numerous transcription factors, tumour suppressors, kinases, phosphatases and histone-modifying proteins. Aberrant glycosylation by OGT has been linked to insulin resistance, diabetic complications, cancer and neurodegenerative diseases including Alzheimer's. Despite the importance of OGT, the details of how it recognizes and glycosylates its protein substrates are largely unknown. We report here two crystal structures of human OGT, as a binary complex with UDP (2.8 {angstrom} resolution) and as a ternary complex with UDP and a peptide substrate (1.95 {angstrom}). The structures provide clues to the enzyme mechanism, show how OGT recognizes target peptide sequences, and reveal the fold of the unique domain between the two halves of the catalytic region. This information will accelerate the rational design of biological experiments to investigate OGT's functions; it will also help the design of inhibitors for use as cellular probes and help to assess its potential as a therapeutic target.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2011

A RING E3-substrate complex poised for ubiquitin-like protein transfer: structural insights into cullin-RING ligases

How RING E3 ligases mediate E2-to-substrate ubiquitin-like protein (UBL) transfer remains unknown. Here we address how the RING E3 RBX1 positions NEDD8's E2 (UBC12) and substrate (CUL1). We find that existing structures are incompatible with CUL1 NEDD8ylation and report a new conformation of RBX1 that places UBC12 adjacent to CUL1. We propose RING domain rotation as a general mechanism for UBL transfer for the largest family of E3s.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Binding of the substrate analog methanol in the oxygen-evolving complex of photosystem II in the D1-N87A genetic variant of cyanobacteria

The solar water-splitting protein complex, photosystem II (PSII), catalyzes one of the most energetically demanding reactions in nature by using light energy to drive a catalyst capable of oxidizing water. The water oxidation reaction is catalyzed at the Mn 4 Ca-oxo cluster in the oxygen-evolving complex (OEC), which cycles through five light-driven S-state intermediates (S 0 –S 4 ). A detailed mechanism of the reaction remains elusive as it requires knowledge of the delivery and binding of substrate water in the higher S-state intermediates. In this paper, we use two-dimensional (2D) hyperfine sublevel correlation spectroscopy, in conjunction with quantum mechanics/molecular mechanics (QM/MM) and density functional theory (DFT), to probe the binding of the substrate analog, methanol, in the S 2 state of the D1-N87A variant of PSII from Synechocystis sp. PCC 6803. The results indicate that the size and specificity of the “narrow” channel is altered in D1-N87A PSII, allowing for the binding of deprotonated 13 C-labeled methanol at the Mn4(IV) ion of the catalytic cluster in the S 2 state. This has important implications on the mechanistic models for water oxidation in PSII.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

In Situ Synchrotron Based X-ray Fluorescence and Scattering Measurements During Atomic Layer Deposition: Initial Growth of HfO2 on Si and Ge Substrates

The initial growth of HfO{sub 2} was studied by means of synchrotron based in situ x-ray fluorescence (XRF) and grazing incidence small angle x-ray scattering (GISAXS). HfO{sub 2} was deposited by atomic layer deposition (ALD) using tetrakis(ethylmethylamino)hafnium and H{sub 2}O on both oxidized and H-terminated Si and Ge surfaces. XRF quantifies the amount of deposited material during each ALD cycle and shows an inhibition period on H-terminated substrates. No inhibition period is observed on oxidized substrates. The evolution of film roughness was monitored using GISAXS. A correlation is found between the inhibition period and the onset of surface roughness.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Highly textured Sr, Nb co-doped BiFeO{sub 3} thin films grown on SrRuO{sub 3}/Si substrates by rf- sputtering

In this study, (011)-highly oriented Sr, Nb co-doped BiFeO{sub 3} (BFO) thin films were successfully grown on SrRuO{sub 3}/Si substrates by rf-magnetron sputtering. The presence of parasite magnetic phases was ruled out based on the high resolution x-ray diffraction data. BFO films exhibited a columnar-like grain growth with rms surface roughness values of {approx_equal}5.3 nm and average grain sizes of {approx_equal}65-70 nm for samples with different thicknesses. Remanent polarization values (2P{sub r}) of 54 {mu}C cm{sup -2} at room temperature were found for the BFO films with a ferroelectric behavior characteristic of an asymmetric device structure. Analysis of the leakage mechanisms for this structure in negative bias suggests Schottky injection and a dominant Poole-Frenkel trap-limited conduction at room temperature. Oxygen vacancies and Fe{sup 3+}/Fe{sup 2+} trap centers are consistent with the surface chemical bonding states analysis from x-ray photoelectron spectroscopy data. The (011)-BFO/SrRuO{sub 3}/Si film structure exhibits a strong magnetic interaction at the interface between the multiferroic film and the substrate layer where an enhanced ferromagnetic response at 5 K was observed. Zero-field cooled (ZFC) and field cooled (FC) magnetization curves of this film system revealed a possible spin glass behavior at spin freezing temperatures below 30 K depending on the BFO film thickness.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Structural and magnetic properties of Ge{sub 1-x}Mn{sub x} thin films grown on Ge (001) substrates

We investigate the structural and magneto-optical properties of Mn-doped Ge (Ge{sub 1-x}Mn{sub x}) films with self-organized nanocolumns, grown on Ge (001) substrates by molecular beam epitaxy (MBE), in which the substrate temperature (T{sub S}) and growth rate (R{sub G}) are varied. Transmission electron microscopy (TEM) observations and magnetic circular dichroism (MCD) measurements reveal that Mn-rich nanocolumnar precipitation is formed in the Ge{sub 1-x}Mn{sub x} films grown at T{sub S} {<=} 100 deg. C, with keeping the size and spacing. At higher T{sub S} ({>=}150 deg. C), ferromagnetic Mn{sub 5}Ge{sub 3} clusters are formed. It is also found that the Mn distribution in the Ge{sub 1-x}Mn{sub x} films can be controlled: By lowering T{sub S} or increasing R{sub G}, the Mn content x{sub nc} in the nanocolumns decreases and Mn atoms are more distributed into the Ge matrix, and eventually the magnetic properties are changed. The formation of the nanocolumns is explained by the spinodal decomposition in the layer-by-layer growth mode. We analyzed the periodicity and Mn content x{sub nc} of nanocolumns by using the Cahn-Hilliard equation.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Structural properties of Bi{sub 2}Te{sub 3} and Bi{sub 2}Se{sub 3} topological insulators grown by molecular beam epitaxy on GaAs(001) substrates

Thin films of Bi{sub 2}Te{sub 3} and Bi{sub 2}Se{sub 3} have been grown on deoxidized GaAs(001) substrates using molecular beam epitaxy. Cross-sectional transmission electron microscopy established the highly parallel nature of the Te(Se)-Bi-Te(Se)-Bi-Te(Se) quintuple layers deposited on the slightly wavy GaAs substrate surface and the different crystal symmetries of the two materials. Raman mapping confirmed the presence of the strong characteristic peaks reported previously for these materials in bulk form. The overall quality of these films reveals the potential of combining topological insulators with ferromagnetic semiconductors for future applications.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Mechanically tunable magnetic properties of Fe{sub 81}Ga{sub 19} films grown on flexible substrates

We investigated on magnetic properties of magnetostrictive Fe{sub 81}Ga{sub 19} films grown on flexible polyethylene terephthalate (PET) substrates under various mechanical strains. The unstrained Fe{sub 81}Ga{sub 19} films exhibit a significant uniaxial magnetic anisotropy due to a residual stress in PET substrates. It was found that the squareness of hysteresis loops can be tuned by an application of strains, inward/compressive or outward/tensile bending of the films. A modified Stoner-Wohlfarth model with considering a distribution of easy axes in polycrystalline films was developed to account for the mechanically tunable magnetic properties in flexible Fe{sub 81}Ga{sub 19} films. These results provide an alternative way to tune mechanically magnetic properties, which is particularly important for developing flexible magnetoelectronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2012

CdSe/CdTe type-II superlattices grown on GaSb (001) substrates by molecular beam epitaxy

CdSe/CdTe superlattices are grown on GaSb substrates using molecular beam epitaxy. X-ray diffraction measurements and cross-sectional transmission electron microscopy images indicate high crystalline quality. Photoluminescence (PL) measurements show the effective bandgap varies with the superlattice layer thicknesses and confirm the CdSe/CdTe heterostructure has a type-II band edge alignment. The valence band offset between unstrained CdTe and CdSe is determined as 0.63 {+-} 0.06 eV by fitting the measured PL peak positions using the envelope function approximation and the Kronig-Penney model. These results suggest that CdSe/CdTe superlattices are promising candidates for multi-junction solar cells and other optoelectronic devices based on GaSb substrates.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Substrate effect on the electronic structures of CuPc/graphene interfaces

The interfacial electronic structures of copper phthalocyanine (CuPc) deposited on a single-layer graphene (SLG) film prepared on Cu and SiO{sub 2} substrates (SLG/Cu and SLG/SiO{sub 2}) were investigated using ultraviolet photoelectron spectroscopy. The ionization energy of CuPc on SLG/Cu and SLG/SiO{sub 2} substrate is, respectively, 5.62 eV and 4.97 eV. The energy level alignments at the two interfaces were estimated. The results revealed that the height of the electron (hole) injection barriers are 1.20 (1.10) and 1.38 (0.92) eV at CuPc/SLG/Cu and CuPc/SLG/SiO{sub 2} interfaces, respectively.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Designing interlayers to improve the mechanical reliability of transparent conductive oxide coatings on flexible substrates

In this study, we investigate the effect of interlayers on the mechanical properties of transparent conductive oxide (TCO) on flexible polymer substrates. Indium tin oxide (ITO), which is the most widely used TCO film, and Ti, which is the most widely used adhesive interlayer, are selected as the coating and the interlayer, respectively. These films are deposited on the polymer substrates using dc-magnetron sputtering to achieve varying thicknesses. The changes in the following critical factors for film cracking and delamination are analyzed: the internal stress ({sigma}{sup i}) induced in the coatings during deposition using a white light interferometer, the crystallinity using a transmission electron microscope, and the surface roughness of ITO caused by the interlayer using an atomic force microscope. The resistances to the cracking and delamination of ITO are evaluated using a fragmentation test. Our tests and analyses reveal the important role of the interlayers, which significantly reduce the compressive {sigma}{sup i} that is induced in the ITO and increase the resistance to the buckling delamination of the ITO. However, the relaxation of {sigma}{sup i} is not beneficial to cracking because there is less compensation for the external tension as {sigma}{sup i} further decreases. Based on these results, the microstructural control is revealed as a more influential factor than {sigma}{sup i} for improving crack resistance.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Effect of substrate temperature on microstructure of epitaxial ZnO films grown on sapphire by sputtering

The microstructure of epitaxial ZnO films on (0001) sapphire substrates deposited by reactive sputtering in substrate temperature (T{sub s}) range of 100 - 500 deg. C were investigated by High-resolution X-ray diffraction. The studies show the presence of a strained 2D layer along with 3D crystallites at low T{sub s}, whereas 3D growth is dominant at higher T{sub s}, resulting in formation of mosaic structure with lesser point and line defects.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Deposition of stress free c-axis oriented LiNbO{sub 3} thin film grown on (002) ZnO coated Si substrate

C-axis oriented lithium niobate thin films have been deposited on Si substrate using RF sputtering technique. A thin buffer layer of c-axis (002) oriented ZnO on Si substrate has been used as a nucleating layer to promote the growth of (006) oriented LiNbO{sub 3} film. The processing gas composition and pressure are found to be very critical in obtaining stress free LiNbO{sub 3} film having desired (006) orientation. The LiNbO{sub 3} films deposited under unique combination of sputtering pressure (10 mTorr) and argon percentage (80%) in reactive gas (Ar + O{sub 2}) composition become almost stress free having lattice parameter (1.3867 A) close to the bulk value. The observed variation in the structural properties and optical phonon modes observed by Raman spectroscopic studies of the oriented LiNbO{sub 3} thin film with stress has been correlated with growth kinetics.

36 MATERIALS SCIENCE↗