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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 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Normal and inverse bulk spin valve effects in single-crystal ruthenates

The current-perpendicular-to-plane magnetoresistivity (CPP-MR)/ρ c (B) is investigated in single crystal ruthenates Ca 3 (Ru 1-x Ti x ) 2 O 7 (x = 0.02). This material is naturally composed of ferromagnetic metallic bilayers (Ru,Ti)O 2 separated by nonmagnetic insulating layers of Ca 2 O 2 , resulting in tunneling magnetoresistivity. Non-monotonic ρ c (B) curves as well as the inverse spin valve effect are observed around the magnetic phase transition associating with the metal-to-insulator transition. A spin dependent tunneling model with alternate distribution of hard and soft magnetic layers [(Ru,Ti)O 2 ] is proposed to explain the exotic CPP-MR behavior. Finally, this eccentric CPP-MR behavior highlights the strong spin-charge coupling in double-layered ruthenates and provides a potential material for spintronic devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Molecular polarizability in open ensemble simulations of aqueous nanoconfinements under electric field

Molecular polarization at aqueous interfaces involves fast degrees of freedom that are often averaged-out in atomistic-modeling approaches. The resulting effective interactions depend on a specific environment, making explicit account of molecular polarizability particularly important in solutions with pronounced anisotropic perturbations, including solid/liquid interfaces and external fields. Our work concerns polarizability effects in nanoscale confinements under electric field, open to an unperturbed bulk environment. We model aqueous molecules and ions in hydrophobic pores using the Gaussian-charge-on-spring BK3-AH representation. This involves nontrivial methodology developments in expanded ensemble Monte Carlo simulations for open systems with long-ranged multibody interactions and necessitates further improvements for efficient modeling of polarizable ions. Structural differences between fixed-charge and polarizable models were captured in molecular dynamics simulations for a set of closed systems. Our open ensemble results with the BK3 model in neat-aqueous systems capture the ∼10% reduction of molecular dipoles within the surface layer near the hydrophobic pore walls in analogy to reported quantum mechanical calculations at water/vapor interfaces. The polarizability affects the interfacial dielectric behavior and weakens the electric-field dependence of water absorption at pragmatically relevant porosities. We observe moderate changes in thermodynamic properties and atom and charged-site spatial distributions; the Gaussian distribution of mobile charges on water and ions in the polarizable model shifts the density amplitudes and blurs the charge-layering effects associated with increased ion absorption. The use of polarizable force field indicates an enhanced response of interfacial ion distributions to applied electric field, a feature potentially important for in silico modeling of electric double layer capacitors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Suppression of electroconvective and morphological instabilities by an imposed cross flow of the electrolyte

Electroconvective (EC) instability and its influence on surface morphological perturbations (Morph) are important in many applications, including electrodialysis, batteries, and fuel cells. In this work, we study the effects of a two-dimensional channel flow on the EC and Morph instabilities using two approaches. In the bulk analysis, we derive the asymptotic solutions for small and large wave numbers by neglecting the space charge layer and imposing a second kind electroosmosis slip velocity boundary condition on the electroneutral bulk region. In the full analysis, the instability of the entire region of the liquid electrolyte is analyzed using the ultraspherical spectral method. Both studies show that the flow significantly affects the EC instability. The imposed flow distorts the concentration field, causing a sheltering effect which hinders the ion transport from low- to high-concentration regions, and therefore suppresses the EC instability below a certain wave number. In combination with the viscous stabilization of the high wave number modes by the space charge layer, a sufficiently strong imposed flow can fully suppress the EC instability. The increment in the critical voltage for the instability onset is roughly proportional to the square root of the product of imposed velocity and double layer thickness. The imposed flow has a smaller effect on the Morph instability, except that it may remove the morphological modes resulting from the EC instability and thereby change the wave number of the most unstable mode.

42 ENGINEERING↗
DOE OSTI2022

A bi-layer barrier design for 122-type iron-based superconducting wires and tapes

Iron-based superconducting wires and tapes hold great promise for high-field magnet applications. A promising design for 122-type wires and tapes based on the powder-in-tube method is using silver and copper double-layer sheaths. For this design a heat treatment temperature below ~ 779 °C is required to prevent Ag-Cu liquid formation. However, this may be below the optimal heat treatment temperature for the critical current density, and still cannot prevent Ag-Cu interdiffusion occurring in the solid state. In this work we propose adding a niobium or tantalum or vanadium (or their alloys) barrier layer between the Ag and Cu to solve the Ag-Cu interdiffusion issue, given that the group-VB metals (vanadium, niobium, tantalum) are relatively inert to both Ag and Cu. To investigate the effectiveness of this design, BaFe 1.84 Co 0.16 As 2 wires and tapes with Ag/Cu and Ag/Ta/Cu sheaths, as well as Ba 0.6 K 0.4 Fe 2 As 2 wires and tapes with Ag/Cu and Ag/Nb/Cu sheaths, were fabricated. It was found that both the Ta and Nb layers kept integral after wire drawing, but after a large flat-rolling reduction the Ta layer broke while the Nb layer kept integral. In the tapes with Ag/Cu sheaths (without the Ta or Nb layer) Cu diffused through the Ag layer and into the powder cores during 740 °C heat treatment, while in the tapes with Ag/Nb/Cu sheaths the Nb layer effectively blocked Ag-Cu interdiffusion even at 900 °C. Further, this work demonstrates that Ta is a suitable barrier material for 122-type wires, while Nb is suitable for both wires and tapes. In this design using Ag/Nb (or Ta)/Cu sheaths, we can regard the outer Cu as the conductor matrix while the Ag and Nb (or Ta) serve as two layers of barriers that suppress reactions between the components. Thus, we call this design a “bi-layer barrier” design for 122-type wires and tapes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Layer specific observation of slow thermal equilibration in ultrathin metallic nanostructures by femtosecond X-ray diffraction

Ultrafast heat transport in nanoscale metal multilayers is of great interest in the context of optically induced demagnetization, remagnetization and switching. If the penetration depth of light exceeds the bilayer thickness, layer-specific information is unavailable from optical probes. Femtosecond diffraction experiments provide unique experimental access to heat transport over single digit nanometer distances. Here, we investigate the structural response and the energy flow in the ultrathin double-layer system: gold on ferromagnetic nickel. Even though the excitation pulse is incident from the Au side, we observe a very rapid heating of the Ni lattice, whereas the Au lattice initially remains cold. The subsequent heat transfer from Ni to the Au lattice is found to be two orders of magnitude slower than predicted by the conventional heat equation and much slower than electron–phonon coupling times in Au. We present a simplified model calculation highlighting the relevant thermophysical quantities.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Interaction Between Graphene-Coated SiC Single Crystal and Liquid Copper

The wettability of graphene-coated SiC single crystal (C{sub Gn}/SiC{sup sc}) by liquid Cu (99.99%) was investigated by a sessile drop method in vacuum conditions at temperature of 1100 °C. The graphene layer was produced via a chemical vapor deposition routine using 4H-SiC single crystal cut out from 6″ wafer. A dispensed drop technique combined with a non-contact heating of a couple of materials was applied. The Cu drop was squeezed from a graphite capillary and deposited on the substrate directly in a vacuum chamber. The first Cu drop did not wet the C{sub Gn}/SiC{sup sc} substrate and showed a lack of adhesion to the substrate: the falling Cu drop only touched the substrate forming a contact angle of θ{sub 0} = 121° and then immediately rolled like a ball along the substrate surface. After settling near the edge of the substrate in about 0.15 s, the Cu drop formed an asymmetric shape with the right and left contact angles of different values (θ{sub R} = 86° and θ{sub L} = 70°, respectively), while in the next 30 min, θ{sub R} and θ{sub L} achieved the same final value of ~ 52°. The second Cu drop was put down on the displacement path of the first drop, and immediately after the deposition, it also did not wet the substrate (θ = 123°). This drop kept symmetry and the primary position, but its wetting behavior was unusual: both θ{sub R} and θ{sub L} decreased in 17 min to the value of 23° and next, they increased to a final value of 65°. Visual observations revealed a presence of ~ 2.5-mm-thick interfacial phase layer reactively formed under the second drop. Scanning electron microscopy (SEM) investigations revealed the presence of carbon-enriched precipitates on the top surface of the first Cu drop. These precipitates were identified by the Raman spectroscopy as double-layer graphene. The Raman spectrum taken from the substrate far from the drop revealed the presence of graphene, while that obtained from the first drop displacement path exhibited a decreased intensity of 2D peak. The results of SEM investigations and Raman spectroscopy studies suggest that the presence of graphene layer on the SiC substrate suppresses but does not completely prevent chemical interaction between liquid Cu drop and SiC. Both chemical degradation (etching) and mechanical degradation of the graphene layer during drop rolling due to high adhesion of the Cu drop to the SiC substrate are responsible for mass transfer through the 2nd drop/substrate interface that in turn results in significant changes of structure and chemistry of the drop and the interface.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Improvement in the photocurrent collection due to enhanced absorption of light by synthesizing staggered layers of silver nanoclusters in silicon

The quest for increased efficiency of solar cells has driven the research in synthesizing photovoltaic cells involving Si based materials. The efficiency of solar cells involving crystalline Si is stalled around 25% for the last decade. Recently Shi et al. had shown that light trapping can be enhanced by fabricating double layers of Ag nanoparticles in silicon based materials. The light trapping is critically important in a photo devices such as solar cells in order to increase light absorption and efficiency. In the present work, we report enhancement in the absorption of light in Ag ion implanted Si substrates. Multiple low energies Ag ions, ranging from ∼80 keV to ∼30 keV, with different fluences ranging from ∼1 × 10{sup 16} to ∼1 × 10{sup 17} atoms/cm{sup 2} were sequentially implanted into commercially available Si (100) substrates followed by post-thermal annealing to create different sizes of Ag nanoclusters (NC) at different depths in the top 100 nm of the Si. The absorbance of light is increased in Ag implanted Si with a significant increase in the current collection in I-V (current-voltage) photo switching measurements. The experimental photovoltaic cells fabricated with the Ag-implanted Si samples were optically characterized under AM (air mass) 1.5 solar radiation conditions (∼1.0 kW/m{sup 2}). An enhancement in the charge collection were measured in the annealed samples, where prominent Ag NCs were formed in the Si matrix compared to the as-implanted samples with amorphous layers. We believe the enhancement of the photo-current density from the samples with Ag NC is due to the improvement of efficiency of charge collection of e{sup −}-h{sup +} pairs produced by the incident light.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Nanoionics Drastically Accelerating Mass Transfer at Elevated Temperatures over 750 °C

Nanoionics were previously considered thermally unstable and infeasible for devices operating above 500 °C. Here, we elucidate the design principle for establishing stable nanoionics from various oxides. We utilized reversible solid oxide cells (SOCs) as the test bed and implemented nanoionics using atomic layer deposition (ALD). We demonstrate a straightforward, interface-controlled, practical approach to render a conformal, ∼15 nm thick ALD film, which initially thermodynamically favors the formation of a solid solution with the substrate into surface nanoionics with single or double layers of nanograins with random crystal orientations. The nanoionics exhibited conductivity estimated to be 7 orders of magnitude higher than that of their bulk-scale counterpart. They demonstrated conformability with uniform grain sizes of ∼15 nm, even after electrochemical operation for ∼500 h at 750 °C and 1000 h at 850 °C. The thermal stability and conductivity of such nanoionics represent a conceptual and technological framework in nanoionics.

atomic layer deposition↗
DOE OSTI2014

Theoretical Predictions of Freestanding Honeycomb Sheets of Cadmium Chalcogenides

Two-dimensional (2D) nanocrystals of CdX (X = S, Se, Te) typically grown by colloidal synthesis are coated with organic ligands. Recent experimental work on ZnSe showed that the organic ligands can be removed at elevated temperature, giving a freestanding 2D sheet of ZnSe. In this theoretical work, freestanding single- to few-layer sheets of CdX, each possessing a pseudo honeycomb lattice, are considered by cutting along all possible lattice planes of the bulk zinc blende (ZB) and wurtzite (WZ) phases. Using density functional theory, we have systematically studied their geometric structures, energetics, and electronic properties. A strong surface distortion is found to occur for all of the layered sheets, and yet all of the pseudo honeycomb lattices are preserved, giving unique types of surface corrugations and different electronic properties. The energetics, in combination with phonon mode calculations and molecular dynamics simulations, indicate that the syntheses of these freestanding 2D sheets could be selective, with the single- to few-layer WZ110, WZ100, and ZB110 sheets being favored. Through the GW approximation, it is found that all single-layer sheets have large band gaps falling into the ultraviolet range, while thicker sheets in general have reduced band gaps in the visible and ultraviolet range. On the basis of the present work and the experimental studies on freestanding double-layer sheets of ZnSe, we envision that the freestanding 2D layered sheets of CdX predicted herein are potential synthesis targets, which may offer tunable band gaps depending on their structural features including surface corrugations, stacking motifs, and number of layers.

Zhou, Jia↗
DOE OSTI2013

Effects of emission layer doping on the spatial distribution of charge and host recombination rate density in organic light emitting devices: A numerical study

Based on drift-diffusion theory, a numerical model of the doping of a single energy level trap in the emission layer of an organic light emitting device (OLED) was developed, and the effects of doping of this single energy level trap on the distribution of the charge density, the recombination rate density, and the electric field in single- and double-layer OLEDs were studied numerically. The results show that by doping the n-type (p-type) emission layer with single energy electron (hole) traps, the distribution of the recombination rate density can be tuned and shifted, which is useful for improvement of the device performance by reduced electrode quenching or for realization of desirable special functions, e.g., emission spectrum tuning in multiple dye-doped white OLEDs.

36 MATERIALS SCIENCE↗
NASA NTRS1999

TAL Performance and Mission Analysis in a CDL Capacitor Powered Direct-Drive Configuration

The goals of this research are (1) to prove the concept feasibility of a direct-drive electric propulsion system, and (2) to evaluate the performance and characteristics of a Russian TAL (Thruster with Anode Layer) operating in a long-pulse mode, powered by a capacitor-based power source developed at Space Power Institute. The TAL, designated D-55, is characterized by an external acceleration zone and is powered by a unique chemical double layer (CDL) capacitor bank with a capacitance of 4 F at a charge voltage of 400 V. Performance testing of this power supply on the TAL was conducted at NASA Lewis Research Center in Cleveland, OH. Direct thrust measurements of the TAL were obtained at CDL power levels ranging from 450 to 1750 W. The specific impulse encompassed a range from 1150 s to 2200 s, yielding thruster system efficiencies between 50 and 60%. Preliminary mission analysis of the CDL direct-drive concept and other electric propulsion options was performed for the ORACLE spacecraft in 6am/6pm and 12am/12pm, 300 km sun-synchronous orbits. The direct-drive option was competitive with the other systems by increasing available net mass between 5 and 42% and reducing two-year system wet mass between 18 and 63%. Overall, the electric propulsion power requirements for the satellite solar array were reduced between 57 and 91% depending oil the orbit evaluated The direct-drive, CDL capacitor-based concept in electric propulsion thus promises to be a highly-efficient, viable alternative for satellite operations in specific near-Earth missions.

Hrbud, Ivana↗
DOE OSTI2018

Understanding the Effect of Tungsten on Corrosion Behavior of AlCuCrFeMnW{sub x} High-Entropy Alloys in 3.5 wt.% NaCl Solution

The electrochemical study of AlCuCrFeMnW{sub x} (x = 0, 0.05, 0.1, 0.5, 1 mol) high-entropy alloys (HEA) is performed in 3.5 wt.% NaCl solution at room temperature (25 °C). The potentiodynamic polarization curve of the AlCuCrFeMnW{sub x} (x = 0, 0.05, 0.1, 0.5, 1 mol) alloys obtained in 3.5 wt.% NaCl solution shows that the corrosion resistance of the tungsten (W)-free HEA is lower than the alloys containing W. It is observed that W forms solid WO{sub 3} layer in the outer region of the film in a 3.5 wt.% NaCl. The scanning electron microscopy and infrared spectroscopy confirmed the electrochemical results. The electrochemical impedance spectroscopy of these alloys had one capacitive loop, which represented the presence of electrical double layer.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Towards High-Efficiency GaAsP/Si Tandem Cells

In this work, we present recent progress towards high-efficiency epitaxial 1.7 eV/1.1 eV GaAsP/Si tandem cells. First, we present Si bottom cells with thick, epitaxial n-GaAsP optical filtering layers, yielding an efficiency of 6.25%. Furthermore, we demonstrate GaAsP/Si 2-terminal tandem cells with Voc of 1.596 V using an unoptimized tunnel junction to interconnect the GaAsP and Si sub-cells. Finally, we discuss the design of SiNx/SiOx double-layer anti-reflectance coating (ARC) for GaAsP/Si tandem cells, which boosted the Jsc by 28.9%.

14 SOLAR ENERGY↗
DOE OSTI2016

High-throughput screening of coenzyme preference change of thermophilic 6-phosphogluconate dehydrogenase from NADP + to NAD +

Coenzyme engineering that changes NAD(P) selectivity of redox enzymes is an important tool in metabolic engineering, synthetic biology, and biocatalysis. Here we developed a high throughput screening method to identify mutants of 6-phosphogluconate dehydrogenase (6PGDH) from a thermophilic bacterium Moorella thermoacetica with reversed coenzyme selectivity from NADP + to NAD + . Colonies of a 6PGDH mutant library growing on the agar plates were treated by heat to minimize the background noise, that is, the deactivation of intracellular dehydrogenases, degradation of inherent NAD(P)H, and disruption of cell membrane. The melted agarose solution containing a redox dye tetranitroblue tetrazolium (TNBT), phenazine methosulfate (PMS), NAD + , and 6-phosphogluconate was carefully poured on colonies, forming a second semi-solid layer. More active 6PGDH mutants were examined via an enzyme-linked TNBT-PMS colorimetric assay. Positive mutants were recovered by direct extraction of plasmid from dead cell colonies followed by plasmid transformation into E. coli TOP10. By utilizing this double-layer screening method, six positive mutants were obtained from two-round saturation mutagenesis. The best mutant 6PGDH A30D/R31I/T32I exhibited a 4,278-fold reversal of coenzyme selectivity from NADP + to NAD + . Furthermore, this screening method could be widely used to detect numerous redox enzymes, particularly for thermophilic ones, which can generate NAD(P)H reacted with the redox dye TNBT.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Surface Reordering During Layer‐by‐Layer Growth on SrTiO 3

With the development of layer‐by‐layer growth techniques such as molecular beam epitaxy (MBE), it is now possible to construct materials with atomic‐level precision, with the layer sequence primarily determined by the growth recipe. However, materials can still restructure in the high‐temperature growth environment with surface thermodynamics strongly influencing growth behavior. Here, we demonstrate that growth on ${\rm SrTiO}_{3}$ (001), the principal platform for oxide electronics, does not occur in a layer‐by‐layer fashion but follows a more complex process in which a ${\rm TiO}_{2}$ plane continually diffuses toward the growth surface. Employing in situ synchrotron X‐ray scattering combined with ab initio thermodynamic calculations, we discover the existence of a stable ${\rm TiO}_{2}$ double‐layer structure on the pristine substrate and the occurrence of dynamic layer rearrangement during homoepitaxial growth by oxide MBE. Our findings suggest that the current methods used to precisely control ${\rm SrTiO}_{3}$ surfaces are limited, as well as our ability to dictate the composition of ultrathin films, resulting in important ramifications regarding the surface reactivity of perovskite materials grown on ${\rm SrTiO}_{3}$.

Coherent Bragg Rod Analysis↗
DOE OSTI2016

Efficient semitransparent perovskite solar cells for 23.0%-efficiency perovskite/silicon four-terminal tandem cells

Here, we have investigated semi-transparent perovskite solar cells and infrared enhanced silicon heterojunction cells for high-efficiency tandem devices. A semi-transparent metal electrode with good electrical conductivity and optical transparency has been fabricated by thermal evaporation of 7 nm of Au onto a 1-nm-thick Cu seed layer. For this electrode to reach its full potential, MAPbI3 thin films were formed by a modified one-step spin-coating method, resulting in a smooth layer that allowed the subsequent metal thin film to remain continuous. The fabricated semi-transparent perovskite solar cells demonstrated 16.5% efficiency under one-sun illumination, and were coupled with infrared-enhanced silicon heterojunction cells tuned specifically for perovskite/Si tandem devices. A double-layer antireflection coating at the front side and MgF2 reflector at rear side of the silicon heterojunction cells reduced parasitic absorption of near-infrared light, leading to 6.5% efficiency after filtering with a perovskite device and 23.0% summed efficiency for the perovskite/Si tandem device.

25 ENERGY STORAGE↗
DOE OSTI2016

Formation of blade and slot die coated small molecule multilayers for OLED applications studied theoretically and by XPS depth profiling

Slot die coaters especially designed for low material consumption and doctor blades were used to process small molecule solutions for organic light-emitting diodes (OLEDs). Optimum process parameters were developed for the large-scale coating techniques to generate stable single and multiple layers only a few nanometers thick. Achieving a multilayer architecture for solution-processed OLEDs is the most challenging step. X-ray photoelectron spectroscopy sputter depth profiling was performed to determine defined interfaces between coated organic layers. Commercially available small molecules NPB (N,N’-Di(1-naphthyl)-N,N’-diphenyl-(1,1’-biphenyl)-4,4’-diamine) and BAlq (Bis(8-hdroxy-2methylquinoline)-(4-phenylphenoxy)aluminum), originally developed for vacuum deposition, were used as hole, respectively electron transport material. Defined double-layers were processed with both scalable coating methods using the orthogonal solvent approach. The use of non-orthogonal solvents resulted in complete intermixing of the material. The results are explained by calculations of solubilities and simulating drying and diffusion kinetics of the small molecule solutions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗