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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 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Peculiarities of growing InGaAs/GaAs/AlGaAs laser structures by MOCVD on Ge/Si substrates

The growth of InGaAs/GaAs/AlGaAs laser structures by MOCVD at low pressures on Si(001) substrates with a Ge epitaxial metamorphic buffer layer of various thicknesses is studied. The results of the influence of the growth temperature and incorporation of additional AlAs layers at the boundary with the Ge/Si(001) substrate on the crystalline and optical quality of the formed III–V structures are presented. It is shown that the incorporation of the AlAs/GaAs/AlAs lattice at the initial growth stages of III–V heterostructures on Ge buffer layers grown on exact Si(001) substrates makes it possible to considerably decrease the density of threading defects and, consequently, form effectively emitting laser structures. The possibility of growing strained InGaAs quantum wells on Si(001) substrates allowing stimulated radiation in a wavelength region longer than 1100 nm is shown.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Electron–Electron and Electron–Phonon Interactions in Graphene on a Semiconductor Substrate: Simple Estimations

The problem of epitaxial graphene formed on a semiconductor substrate is considered in the context of the extended Hubbard and Holstein–Hubbard models for electron–electron and electron–phonon interactions. The Haldane–Anderson model is chosen for the density of states of the substrate. Three regions of the phase diagram, specifically, spin- and charge-density waves and a spin- and charge-homogeneous paramagnetic state are considered. For a number of special cases used as examples, the similarities and differences of the electron states of graphene on semiconductor and metal substrates are demonstrated. It is shown that the main difference arises, if the Dirac point of graphene lies within the band gap of the semiconductor. Numerical estimations are performed for a SiC substrate.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Effect of Misorientation and Preliminary Etching of the Substrate on the Structural and Optical Properties of Integrated GaAs/Si(100) Heterostructures Produced by Vapor Phase Epitaxy

It is shown for the first time that the structural and optical functional characteristics of integrated GaAs/Si(100) heterostructures can be controlled by using misoriented Si(100) substrates and their preliminary etching. The growth of an epitaxial GaAs layer on a Si substrate without the formation of antiphase domains can be carried out on a substrate deviated from the (100) singular plane by an angle smaller than 4°–6° or without a transition layer of GaAs nanocolumns. Preliminary treatment of the silicon substrate by etching makes it possible to use it for the vapor-phase epitaxial growth of a single-crystal GaAs film with a considerably smaller relaxation coefficient, which has a positive effect on the structural quality of the film. These data are in good agreement with the results of IR reflectance spectroscopy and photoluminescence and ultraviolet spectroscopy. The features of the optical properties of integrated GaAs/Si(100) heterostructures in the infrared and ultraviolet spectral regions are also defined by the relaxation coefficient.

36 MATERIALS SCIENCE↗
DOE OSTI2019

On the Phase Composition, Morphology, and Optical and Electronic Characteristics of AlN Nanofilms Grown on Misoriented GaAs(100) Substrates

Thin AlN nanofilms are produced by reactive ion-plasma deposition onto GaAs(100) substrates misoriented with respect to the 〈100〉 direction to different degrees. It is shown that growth on substrates misoriented with respect to the 〈100〉 direction to different degrees results in the formation of AlN films with different phase compositions and crystal states. An increase in the degree of misorientation of the GaAs(100) substrate used for growth influences both the structural quality of AlN nanofilms and their electronic structure, surface morphology, and optical properties. Thus, the morphology, surface composition, and optical functional characteristics of AlN/GaAs(100) heterophase systems can be controlled using differently misoriented GaAs(100) substrates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Initial stages of the growth of barium strontium titanate films on a semi-isolating silicon carbide substrate

The initial stages of the growth of ferroelectric barium strontium titanate films on single-crystal silicon carbide substrates have been studied for the first time. The choice of a substrate with high thermal conductivity has been due to the possibility of applying these structures in powerful microwave devices. The temperature ranges separating the mechanism of the surface diffusion of deposited atoms from the diffusion via a gaseous phase during the growth of multicomponent films have been determined. The studies show that the mass transfer by means of surface diffusion leads to the formation of small-height nuclei that cover a large area of the substrate, whereas the mass transfer via a gaseous phase leads to the formation of a “columnar” islandtype structure with small percentage of covering the substrate and larger island heights.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Synthesis of Highly Oriented Zinc-Oxide Films on Amorphous Substrates by the Method of Direct-Current Magnetron Sputtering

We describe the technology of obtaining highly oriented zinc-oxide (ZnO) films on amorphous substrates at high growth rates (up to 7 nm/s) by means of direct-current magnetron sputtering. It is suggested to optimize the substrate position with respect to magnetron and consider the floating potential to which the substrate is charged in magnetron discharge plasma as one of the main technological parameters. Electrondiffraction study of the structural characteristics of the obtained ZnO films showed that increase in the substrate temperature was accompanied by transformation of the crystallite shape from platelike to columnar.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

The Influence of High-Frequency Discharge on Substrate Temperature during Film Deposition

The process of discharge-induced substrate heating at the initial stage of film synthesis by method of high-frequency cathode sputter deposition has been studied. The temperature to which the substrate was heated after the discharge switch-on was determined using the optical interferometry technique. In a working regime of barium strontium titanate film deposition onto a magnesium oxide substrate, the substrate temperature exceeded 1000°C.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Modeling Substrate Utilization, Metabolite Production, and Uranium Immobilization in Shewanella oneidensis Biofilms

In this study, we developed a two-dimensional mathematical model to predict substrate utilization and metabolite production rates in Shewanella oneidensis MR-1 biofilm in the presence and absence of uranium (U). In our model, lactate and fumarate are used as the electron donor and the electron acceptor, respectively. The model includes the production of extracellular polymeric substances (EPS). The EPS bound to the cell surface and the EPS distributed in the biofilm were considered bound EPS (bEPS) and loosely associated EPS (laEPS), respectively. COMSOL ® Multiphysics finite element analysis software was used to solve the model numerically (model file provided in the Supplementary Material). The input variables of the model were the lactate and fumarate concentrations, cell density, EPS density, half saturation constant for fumarate, and diffusion coefficients of the substrates and metabolites. To estimate unknown parameters and calibrate the model, we used a custom designed biofilm reactor placed inside a nuclear magnetic resonance (NMR) microimaging and spectroscopy system and measured substrate utilization and metabolite production rates. From these data we estimated the yield coefficients, maximum substrate utilization rate, half saturation constant for lactate, stoichiometric ratio of fumarate and acetate to lactate and stoichiometric ratio of succinate to fumarate. These parameters are critical to predicting the activity of biofilms and are not available in the literature. Lastly, the model was used to predict uranium immobilization in S. oneidensis MR-1 biofilms by considering reduction and adsorption processes in the cells and in the EPS. We found that the majority of immobilization was due to cells, and that EPS were less efficient at immobilizing U. Furthermore, most of the immobilization occurred within the top 10 µm of the biofilm. To the best of our knowledge, this research is one of the first biofilm immobilization mathematical models based on experimental observation. It has the ability to predict the relative contributions to U immobilization of laEPS, bEPS and cells.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Progress in Near-Equilibrium Ammonothermal (NEAT) Growth of GaN Substrates for GaN-on-GaN Semiconductor Devices

This paper reviews the near-equilibrium ammonothermal (NEAT) growth of bulk gallium nitride (GaN) crystals and reports the evaluation of 2″ GaN substrates and 100 mmbulk GaN crystal grown in our pilot production reactor. Recent progress in oxygen reduction enabled growing NEAT GaN substrates with lower residual oxygen, coloration, and optical absorption. The oxygen concentration was approximately 2 × 1018 cm−2, and the optical absorption coefficient was 1.3 cm−1 at 450 nm. Maps of full-width half maximum (FWHM) of X-ray diffraction rocking curveswere generated for grown crystals and finished wafers. The X-ray rocking curve maps confirmed high-quality and uniform microstructure across the entire surface of the bulk crystals and substrates. The average FWHM of the 50 best bulk crystals from the recent batch was 28 ± 4 arcsec for the 002 diffraction and 34 ± 5 arcsec for the 201 diffraction, with an average radius of curvature of 20 m. X-ray topography measured on both sides of the bulk crystals implied that the density of dislocations wasreduced by one order of magnitude during the NEAT growth. A typical NEAT GaN substrate shows dislocation density of about 2 × 105 cm−2.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Structural Basis for the Substrate Inhibition of Proline Utilization A by Proline

Proline utilization A (PutA) is a bifunctional flavoenzyme that catalyzes the two-step oxidation of l-proline to l-glutamate using spatially separated proline dehydrogenase (PRODH) and l-glutamate-γ-semialdehyde dehydrogenase (GSALDH) active sites. Substrate inhibition of the coupled PRODH-GSALDH reaction by proline is a common kinetic feature of PutAs, yet the structural basis for this phenomenon remains unknown. To understand the mechanism of substrate inhibition, we determined the 2.15 Å resolution crystal structure of Bradyrhizobium japonicum PutA complexed with proline. Proline was discovered in five locations remote from the PRODH active site. Most notably, strong electron density indicated that proline bound tightly to the GSAL binding site of the GSALDH active site. The pose and interactions of proline bound in this site are remarkably similar to those of the natural aldehyde substrate, GSAL, implying that proline inhibits the GSALDH reaction of PutA. Kinetic measurements show that proline is a competitive inhibitor of the PutA GSALDH reaction. Together, the structural and kinetic data show that substrate inhibition of the PutA coupled reaction is due to proline binding in the GSAL site.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2019

The Unrealized Potential of Superhydrophobic Substrates in Advanced Life Support Systems

Nearly all water processing equipment aboard spacecraft is to a large extent controlled by capillary forces arising from substrate wetting conditions. Superhydrophobic wetting conditions provide an essentially passive means to keep water away from certain substrates providing a level of no-moving-parts phase separation and control. This work presents a host of non-wetting aqueous microgravity capillary fluidics phenomena arising from interactions with easily fabricated superhydrophobic substrates. The value of such phenomena for potential life support applications aboard spacecraft is clear, especially for substrate properties that are thermally robust, corrosion resistant, and self-cleaning for both long- and short term applications. Large length scale low-g demonstrations of the phenomena are provided in HD video format for the extensive drop tower tests conducted. The broader crosscutting impacts to numerous fluids processing operations for life support are discussed. Current practical applications addressed in light of superhydrophobicity include urine-processing, water recovery, fire safety, and others.

Superhydrophoic↗
DOE OSTI2016

Effects of UV Aging on the Cracking of Titanium Oxide Layer on Poly(ethylene terephthalate) Substrate: Preprint

Thin oxide and metal films deposited on polymer substrates is an emerging technology for advanced reflectors for concentrated solar power applications, due to their unique combination of light weight, flexibility and inexpensive manufacture. Thus far, there is little knowledge on the mechanical integrity or structural persistence of such multi-layer thin film systems under long-term environmental aging. In this paper, the cracking of a brittle titanium dioxide layer deposited onto elasto-plastic poly(ethylene terephthalate) (PET) substrate is studied through a combination of experiment and modeling. In-situ fragmentation tests have been conducted to monitor the onset and evolution of cracks both on pristine and on samples aged with ultraviolet (UV) light. An analytical model is presented to simulate the cracking behavior and to predict the effects of UV aging. Based on preliminary experimental observation, the effect of aging is divided into three aspects and analyzed independently: mechanical property degradation of the polymer substrate; degradation of the interlayer between substrate and oxide coating; and internal stress-induced cracks on the oxide coating.

14 SOLAR ENERGY↗
DOE OSTI2017

Manufacturing Process for OLED Integrated Substrate

The primary objective of this project is to demonstrate manufacturing processes for technologies that will enable commercialization of a large-area and low-cost “integrated substrate” product for rigid OLED SSL lighting. The integrated substrate product will consist of a low cost, float glass substrate combined with a transparent conductive anode film layer, and light out-coupling (internal and external extraction layers) structures. In combination, these design elements will enable an integrated substrate meeting or exceeding 2015 performance targets for cost ($60/m2), extraction efficiency (50%) and sheet resistance (<10 ohm/sq).

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2018

GaAs Solar Cells Grown on Unpolished, Spalled Ge Substrates: Preprint

Decreasing the cost of single-crystal substrates by wafer reuse techniques has long been sought for III-V solar cells. Controlled spalling of III-V devices is a possible pathway for epitaxial liftoff, which would help reduce costs, but chemo- mechanical polishing after liftoff tends to limit the potential cost savings. Growth on an unpolished spalled surface would be an additional step toward lower costs, but it is crucial to show high efficiency solar cell devices on these unprocessed substrates. In this study, we spalled 2-inch Ge wafers using a Ni stressor layer, and then grew GaAs solar cells by HVPE on the spalled Ge surface without any other surface treatment. We show a 12.8% efficient single-junction device, without anti-reflection coating, with quantum efficiency very close to identical devices grown by HVPE on non-spalled GaAs substrates. Demonstrating a high carrier collection on unpolished spalled wafers is a step toward reducing substrate-related liftoff and reuse costs.

14 SOLAR ENERGY↗
DOE OSTI2018

GaAs Solar Cells with High Carrier Collection Grown on Unpolished, Spalled Ge Substrates: Preprint

Decreasing the cost of single-crystal substrates has long been sought for III-V solar cells. Controlled spalling is a possible pathway for epitaxial liftoff, which would help reduce costs, but chemo-mechanical polishing after liftoff tends to limit the impact. Growth on an unpolished spalled surface would be an additional step toward lower costs, but it is crucial to show high efficiency solar cell devices on these unprocessed substrates. In this study, we spalled 2 inch Ge wafers using a Ni stressor layer, and GaAs solar cells are grown by HVPE on the spalled Ge surface without any other surface treatment. We show a 12.8% efficient device, without anti-reflection coating, with equivalent quantum efficiency as identical devices grown by HVPE on non-spalled GaAs substrates. Demonstrating a high carrier collection on unpolished spalled wafers is the first step toward reducing substrate-related liftoff and polishing costs.

14 SOLAR ENERGY↗
DOE OSTI2023

Tailoring Growth Interfaces of Virtual Substrates for Power Electronics

Power electronics materials are poised to play a critical role in fulfilling next generation energy needs, with up to 90% of future energy demand predicted to flow through power electronics at some point.[1] Among a number of candidate materials, AlxGa1-xN is the strongest, having bipolar dopability, thermal and chemical stability, an ultra-wide bandgap, and demonstrated experimental feasibility. However, AlGaN growth is limited by a lack of lattice-matched substrates, ultimately stunting material quality at higher thicknesses needed for power electronics applications. Further, high power applications increasingly call for fully vertical device structures, necessitating a conductive substrate. [1] Recently our group identified the (111) plane of TaC as a conductive surface lattice-matched to Al0.55Ga0.45N, taking inspiration from prior work of AlN and GaN binaries on carbide and boride substrates. [2,3,4] In this talk we demonstrate the growth of (111)-oriented TaC by RF sputtering. We investigate the interface of TaC with sapphire and SiC substrates and identify means to suppress competing Ta2C nucleation in order to stabilize (111)-oriented TaC. Potential stacking sequences are identified with respect to crystal structure and observed twinning in the TaC films. We next assess structural changes and film recrystallization that results from face-to-face annealing of TaC thin films at high temperatures above 1500 degrees Celsius. Changes to grain structure and domain size are assessed by x-ray diffraction and surface morphology is explored using atomic force microscopy. Figure 1 shows significant improvements to in- and out-of-plane strain following annealing along with the formation of terraced step edges at the film surface. Strain as a function of material composition and thickness is considered, as this may play a major role in future nucleation of AlGaN layers.

CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SU↗
DOE OSTI2025

Nucleation and Antiphase Twin Control in Bi 2 Se 3 via Step‐Terminated Al 2 O 3 Substrates

The epitaxial synthesis of high-quality 2D layered materials is an essential driver of both fundamental physics studies and technological applications. Bi 2 Se 3 , a prototypical 2D layered topological insulator, is sensitive to defects imparted during the growth, either thermodynamically or due to the film-substrate interaction. Here, in this study, it is shown that step-terminated Al 2 O 3 substrates with a high miscut angle (3°) can effectively suppress a particular hard-to-mitigate defect, the antiphase twin. Systematic investigations across a range of growth temperatures and substrate miscut angles confirm that atomic step edges act as preferential nucleation sites, stabilizing a single twin domain. First-principles calculations suggest that there is a significant energy barrier for twin boundary formation at step edges, supporting the experimental observations. Detailed structural characterization indicates that this twin-selectivity is lost through the mechanism of the 2D layers overgrowing the step edges, leading to higher twin density as the thickness increases. These findings highlight the complex energy landscape unique to 2D materials that is driven by the interplay between substrate properties, nucleation dynamics, and defect formation, and overcoming and controlling these are critical to improve material quality for quantum and electronic applications.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Beyond Substrates: Strain Engineering of Ferroelectric Membranes

Strain engineering in perovskite oxides provides for dramatic control over material structure, phase, and properties, but is restricted by the discrete strain states produced by available high-quality substrates. Here, using the ferroelectric BaTiO3, production of precisely strain-engineered, substrate-released nanoscale membranes is demonstrated via an epitaxial lift-off process that allows the high crystalline quality of films grown on substrates to be replicated. In turn, fine structural tuning is achieved using interlayer stress in symmetric trilayer oxide-metal/ferroelectric/oxide-metal structures fabricated from the released membranes. Additionally, in devices integrated on silicon, the interlayer stress provides deterministic control of ordering temperature (from 75 to 425 °C) and releasing the substrate clamping is shown to dramatically impact ferroelectric switching and domain dynamics (including reducing coercive fields to <10 kV cm-1 and improving switching times to <5 ns for a 20 µm diameter capacitor in a 100-nm-thick film). In devices integrated on flexible polymers, enhanced room-temperature dielectric permittivity with large mechanical tunability (a 90% change upon ±0.1% strain application) is demonstrated. This approach paves the way toward the fabrication of ultrafast CMOS-compatible ferroelectric memories and ultrasensitive flexible nanosensor devices, and it may also be leveraged for the stabilization of novel phases and functionalities not achievable via direct epitaxial growth.

36 MATERIALS SCIENCE↗