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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

The structure, composition, and performance impact of a YSZ-GDC interdiffusion layer in solid oxide electrolysis cells

This study provides a combined experimental and computational investigation into the structure and impact of the cation interdiffusion layer that appears at the gadolinium doped ceria (GDC)/yttria stabilized zirconia (YSZ) interface in solid oxide electrolysis cells (SOECs). Scanning transmission electron microscopy (STEM) illustrates that a ∼0.4 μm interdiffusion layer (IDL) with an intermixed cation distribution and fine grain size forms upon sintering. STEM identifies that the interdiffusion layer exists in the cubic fluorite structure despite changes in cation composition. The interdiffusion layer microstructure formed during sintering does not change during SOEC testing at either 1.3V or heightened voltage pulse testing. Modeling predicts that ionic conductivity may decrease in the interdiffusion layer due to Coulombic trapping between mobile oxygen vacancies and excess Gd 3+ acceptor dopants. Yet, the density and continuous nature of the layer should benefit cell stability by substantially reducing the formation of SrZrO 3 , which is corroborated by STEM and Synchrotron X-ray diffraction (XRD). We conclude that the interdiffusion layer acts as a beneficial barrier to Sr diffusion, when operating in a regime where electrolyte void formation is not observed.

organic↗
DOE OSTI2020

Analytic model of electron transport through and over non-linear barriers

Tunneling barriers are an essential component of electron sources, sensors, detectors, and vacuum nanoelectronics, and a pivotal factor in their performance, but the barriers themselves routinely depart from the analytic models used to model their behavior. Here, a new formalism is developed to analytically and accurately model emission through and over barriers associated with depletion layers, nanotip barriers, and MIM structures. The transmission probability for depletion layer and metal-insulator-metal (MIM) and metaloxide-semiconductor (MOS) barriers is accurately modeled as the electron energy exceeds the barrier height using approaches designed for rapid implementation demanded by simulation codes, and extensible to general barriers. The models supersede conventional thermal and field models in depletion and MIM/MOS barrier studies. Thermal-field methods are used to treat the transmission probability, and shape factor methods to treat the tunneling factor. Analytic formulae for current density are obtained. The methods ease device simulation and characterization of current-voltage relations for emerging technologically interesting barriers with better accuracy.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Intra-molecular coupling within double-segmented molecules impacting magnetic tunnel junction-based molecular spintronics devices

The intra-molecular coupling within multiple units of paramagnetic molecules can produce various effects on molecular spintronics devices (MSD). Here, this paper focuses on double-segmented molecules as the device element to advance understanding of the Impact of internal molecular structure on magnetic tunnel junction-based MSD (MTJMSD). We performed Monte Carlo simulations (MCS) to fill the knowledge gap about the intramolecular coupling role in the magnetic properties of the MTJMSD. This study explored a double-segmented molecule containing two atomic sections, each with a net spin state interacting via Heisenberg exchange coupling within molecules and with ferromagnetic electrodes at different thermal energies, magnetic fields, and coupling strengths. This study also investigated the effect of magnetic field on the double-segmented molecule-based cross-junction-shaped MTJMSD. We also compared the effect of the magnetic field on the mono and double-segmented molecules when connected to two ferromagnetic electrodes. In the strong coupling regime, the intramolecular coupling and molecule coupling with the two ferromagnetic electrodes dominated the MTJMSD response near the molecular junction area. This study provides insight for evaluating the impact of molecular nanostructure internal connectedness on the integrated MSD.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Method for forming a temperature sensing layer within a thermal barrier coating

A thermal barrier coated component, such as a turbine blade formed from a superalloy substrate, includes a thermal barrier coating applied onto the substrate. A metallic bond coat layer is on the substrate and includes rare-earth luminescent dopants. A ceramic top coat layer is on the bond coat layer. A temperature sensing thermally grown oxide (TGO) layer is formed at the interface of the bond coat layer and ceramic top coat layer. The temperature sensing TGO layer includes grown rare-earth luminescent ions migrated from the metallic bond coat layer in an amount sufficient to enable luminescence sensing of the TGO layer for real-time phosphor thermometry temperature measurements at the TGO layer.

Fouliard, Quentin↗
DOE OSTI2026

Temperature-dependent dielectric function of tantalum nitride formed by atomic layer deposition for tunnel barriers in Josephson junctions

Here, we report the dielectric functions of insulating tantalum nitride (TaN) films deposited by atomic layer deposition (ALD) on 300 mm Si/SiO 2 substrates to evaluate their suitability as tunnel barriers in tantalum-based Josephson junctions (JJs) for superconducting quantum circuits. Temperature-dependent ellipsometric angles were measured for ALD TaN films with nominal thicknesses of 13 and 25 nm at an incidence angle of 70°, over photon energy ranges of 0.03–0.7 eV (80–300 K) and 0.5–6.5 eV (80–600 K). These data were used to develop a dispersion model for insulating ALD TaN that incorporates a Tauc–Lorentz oscillator with an optical bandgap of 1.5–1.8 eV to describe interband transitions. The extracted dielectric function shows insulating behavior (mid-infrared transparency) at all temperatures and for both film thicknesses tested. In particular, ALD TaN does not exhibit infrared absorption due to free carriers, even at elevated temperatures, consistent with the insulating behavior required for a JJ tunnel barrier. Results from transmission electron microscopy (including selected area electron diffraction) and x-ray diffraction are also discussed. Sputter depth-profile x-ray photoelectron spectroscopy shows an N/Ta ratio of ∼1.2 throughout the film. The lower bandgap, low roughness, and thermal stability of ALD TaN compared to AlO x suggest the possibility of fabricating JJs with thicker barriers while achieving critical current densities required for qubits, enabling improved thickness and composition control, reduced topography, and resistance to aging.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Chemically and mechanically recyclable polyester-based multilayer plastics

Approximately 100 million tons of multilayered plastics (MLPs) are produced each year worldwide but are not recycled due to their complex structure. Here, this work aims to design polyester-based multilayer plastics (80–100 % polyester) that provide barrier performance comparable to typical 9–12-layer commercial MLPs, while also enabling both chemical recycling (back to parent monomer) and mechanical recycling (grind-and-melt reprocessing). Such dual recyclability is not achievable with non-polyester multilayers, such as all-polyolefin systems. Furthermore, we emphasize how the multilayer architecture was tailored to balance barrier properties, mechanical integrity, and end-of-life recyclability for both flexible and rigid packaging applications. Two main categories of polyester-based MLPs are reported; in the first type, poly(butylene adipate-co-terephthalate) (PBAT)-70 % polyglycolic acid (PGA) is used as middle barrier layer, while in second type, middle barrier layer is Ethylene-vinyl alcohol (EVOH) copolymers. Polyethylene terephthalate (PET) was used as a structural layer, while either PBAT or poly(butylene succinate) (PBS) was used to enable thermal sealing and serve as the product contact layer. These MLPs are recycled by both chemical and mechanical recycling processes. Techno-economic analysis (TEA) shows that MLPs incorporating EVOH as barrier layer have similar or lower selling costs (0.32 $\$$/m 2 ) than commercial MLPs. Life cycle assessment (LCA) indicates EVOH-based MLPs have a lower carbon footprint and lower energy consumption relative to commercial MLP benchmarks. This work offers simplified MLPs that are easy to manufacture and ready to recycle, which will significantly reduce environmental impact of MLP packaging while also providing a cost-effective and practical solution for industry.

Barrier properties↗
DOE OSTI2025

Nacre-like MXene/Polyacrylic Acid Layer-by-Layer Multilayers as Hydrogen Gas Barriers

MXenes are a promising class of 2D nanomaterials and are of particular interest for gas barrier applications due to their high aspect ratio. However, MXene nanosheets naturally bear a negative charge, which prevents assembly with negatively charged polymers, such as polyacrylic acid (PAA), into gas barrier coatings. Here, we present MXene- and PAA-based layer-by-layer (MXene/ PAA LbL) multilayers formed by leveraging hydrogen bonding interactions. When assembled in acidic conditions, MXene/PAA LbL multilayers exhibit conformal, pinhole-free, nacre-like structures. The MXene/PAA LbL multilayers yield high blocking capability and low permeability (0.14 ± 0.01 cc·mm·m −2 ·day −1 · MPa −1 ) for hydrogen gas which is over 9000 times lower than uncoated niobium (Nb) substrate. These nacre-like structures are also electronically conductive (σ DC , up to 370 ± 30 S cm −1 ). Because these multilayers utilize hydrogen bonding, their properties are highly sensitive to the pH of the assembly and its external environment. Specifically, the reversible deconstruction of these multilayers under basic conditions is experimentally verified. This study shows that hydrogen bonding interactions can be leveraged to form MXene LbL multilayers as gas barriers, electronically conductive coatings, and deconstructable thin films via pH control.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Electromagnetic Radiation Effects on MgO-Based Magnetic Tunnel Junctions: A Review

Magnetic tunnel junctions (MTJs) have been widely utilized in sensitive sensors, magnetic memory, and logic gates due to their tunneling magnetoresistance. Moreover, these MTJ devices have promising potential for renewable energy generation and storage. Compared with Si-based devices, MTJs are more tolerant to electromagnetic radiation. In this review, we summarize the functionalities of MgO-based MTJ devices under different electromagnetic irradiation environments, with a focus on gamma-ray radiation. We explore the effects of these radiation exposures on the MgO tunnel barriers, magnetic layers, and interfaces to understand the origin of their tolerance. This review enhances our knowledge of the radiation tolerance of MgO-based MTJs, improves the design of these MgO-based MTJ devices with better tolerances, and provides information to minimize the risks of irradiation under various irradiation environments. This review starts with an introduction to MTJs and irradiation backgrounds, followed by the fundamental properties of MTJ materials, such as the MgO barrier and magnetic layers. Then, we review and discuss the MTJ materials and devices’ radiation tolerances under different irradiation environments, including high-energy cosmic radiation, gamma-ray radiation, and lower-energy electromagnetic radiation (X-ray, UV–vis, infrared, microwave, and radiofrequency electromagnetic radiation). In conclusion, we summarize the radiation effects based on the published literature, which might benefit material design and protection.

42 ENGINEERING↗
DOE OSTI2021

Performance of Spherical Quantum Well Down Converters in Solid State Lighting

We report the color conversion performance of amber and red emitting quantum dots (QDs) on InGaN solid-state lighting (SSL) light emitting diode (LED) packages. Spherical quantum well (SQW) architectures (CdS/CdSe 1- x S x /CdS) were prepared using a library of thio- and selenourea synthesis reagents and high throughput synthesis robotics. CdS/CdSe 1- x S x QDs with narrow luminescence bands were coated with thick CdS shells (thickness = 1.6-7.5 nm) to achieve photoluminescence quantum yields (PLQY) up to 88% at amber and red emission wavelengths (λ max = 600-642 nm, FWHM < 45 nm). The photoluminescence from SQWs encapsulated in silicone and deposited on LED packages was monitored under accelerated aging conditions (oven temperature = 85 °C, relative humidity = 5-85%, blue optical power density = 3-45 W/cm 2 ) by monitoring the red photon output over several hundred hours of continuous operation. The growth of a ZnS shell on the SQW surface increases the stability under long-term operation but also reduces the PLQY, especially of SQWs with thick CdS shells. The results illustrate that the outer ZnS shell layer is key to optimizing the PLQY and the long-term stability of QDs during operation on SSL packages.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Combined Stress Testing of Perovskite Solar Cells for Stable Operation in Space

Perovskite solar cells (PSCs) could provide new low-cost opportunities for powering spacecraft. Here we are designing a PSC resilient to lunar surface conditions, focusing on contact/barrier layers combinations that maximize stability. Thermal vacuum stress shows cells with gold back-contacts and SiOx protection retain >90% of initial efficiency and indium tin oxide (ITO)-contacted cells retain ~100% of initial efficiency after five months of stress. SiO x mitigates mechanical aspects of contact stress, retaining 99% of initial efficiency, whereas cells with silicone/cover glass decreased 27%. We further exposed cells to combined illumination, 75 °C heat, and 10 -6 Torr vacuum for 24 h and found that ITO-contacted cells outperformed Au-contacted cells.

14 SOLAR ENERGY↗
DOE OSTI2022

Decoupling mass transport and electron transfer by a double-cathode structure of a Li-O 2 battery with high cyclic stability

Aprotic lithium-oxygen (Li-O 2 ) batteries have attracted extensive attention due to their ultrahigh theoretical energy density. However, slow and undesired electron transfer during cathodic reactions causes low cyclic stability in these batteries. Here, in this paper, we demonstrate that O 2 mass transport and electron transfer for cathodic reactions in Li-O 2 batteries could be decoupled by a double-cathode structure that efficiently enables stable electron transfer between the cathode and Li 2 O 2 /O 2 . This resolves various side reactions and slow Li 2 O 2 reaction kinetics issues in conventional Li-O 2 batteries, leading to stable operation of the cell for nearly 2 months at a capacity of 0.2 and 5 mAh cm -2 , with more than 4- and 10-fold increases in cycle life when compared with single-cathode batteries. These remarkable improvements in the cyclic stability of Li-O 2 batteries with double cathodes provide an interesting concept for improving the operational stability of other metal-rechargeable batteries with conversion-type chemistry.

25 ENERGY STORAGE↗
DOE OSTI2025

Anodized Aluminum Oxide Membrane Ionic Memristors

Memory effect in ion transport (IT) at the solid–solution interface is uniquely attractive in that the conductance depends on or “memorizes” the previous states. Hysteretic and rectified transport properties offer exciting potential to developing advanced iontronics and neuromorphic functions, improving the efficiency of energy conversion and electrochemical processes, and overcoming the selectivity-throughput bottleneck in the enrichment of low abundant species for environment- and energy-friendly separations, among others. Herein, memory effects are discovered in the rectified electrokinetic IT through anodized aluminum oxide (AAO) membranes containing densely packed highly ordered nanochannels (10 10 per cm 2 ). Characteristic memristor responses of pinched current–potential loops are resolved in voltammetric experiments and successfully reproduced through finite element simulation. Excitatory and inhibitory conductance states are shown to arise from the enrichment and depletion of mobile charge carriers. Structurewise, the transport symmetry is broken by the barrier oxide layer (BOL) on the one end of the cylindrical nanochannels across the AAO membranes. Charge selectivity is attributed to the gradient(s) of the space charge density across the BOL characterized by depth profiling via X-ray photoelectron spectroscopy analysis. The space charge gradient(s) overcomes the fundamental limitation of widely exploited surface charge effects to enable intense rectification and hysteresis prevailing at very high ionic concentrations up to 1–2 M. A new strategy is developed for controlling the preferential IT direction and selectivity via counterion intercalation and extraction/exchange. Mechanistic understanding is further confirmed through parameter variations such as potential scan rate and ionic strength, which also demonstrates convenient controls of the related functions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Fluoropolymer Aging Phenomena

This project aims to investigate structural and morphological changes in fluoropolymers induced by both processing and aging phenomena such as heat, time, and irradiation. Fluoropolymers are an important class of thermoplastics that are broadly used in industry as o-rings and seals when chemical resistance and thermal performance are important. They are also often used in thin film geometries as binders in batteries, insulation layers, water barriers, and anti-fouling coatings. For all of these applications, mechanical integrity and aging are important aspects of their use. Changes in the crystalline morphology are known to impact the mechanical properties of the polymer and can lead to failure. The broad goals of this project are to correlate compositional changes, morphological changes, and mechanical changes. report focuses on the morphological changes that are correlated with nuclear magnetic resonance (NMR), calorimetry and mechanical testing. We plan to compare structure and morphology measurements across complementary bulk and surface techniques. We use in situ atomic force microscopy (AFM) to measure domain shape and crystallization kinetics; in situ NMR to measure crystalline composition; and differential scanning calorimetry (DSC) to measure melting temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2026

High Entropy Rare-earth Oxide (HERO) Coatings for Refractory Alloys

The HERO coating was developed to protect refractory alloys for application in the harsh hot section of the turbine engine environment addressing ARPA-E ULTIMATE Project Topic 2: Coating Development. The effort was both innovative in its utilization of high entropy rare earth oxides as well as transformational in our approach: holistic design of a single layer thermal/environmental barrier coating (T/EBC) for refractory alloys, with an excellent coefficient of thermal expansion (CTE) match to the alloy substrate, chemical compatibility with the underlying alloy, low oxidant permeability, stability in combustion environments, low thermal conductivity, thermal shock resistance, and resistance to degradation by siliceous debris (calcium magnesium alumino-silicates-CMAS). The high entropy rare earth oxide approach enables two critical coating properties: tailoring CTE match to the substrate and, most significantly, substantially reduced thermal conductivity. The summation of these proposed coating capabilities goes well beyond the technical requirements specified in the ULTIMATE program objectives, and additionally is essential for a successful first stage turbine blade application.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Measurement techniques of thermoelectric devices and modules

Thermoelectric (TE) energy conversion devices are designed based on measured material transport properties. Although an ideal device efficiency can be calculated using the figure of merit, zT, the actual efficiency of a thermoelectric module is smaller and must be measured. TE device performance testing techniques and procedures are reviewed with a focus on energy conversion efficiency. One of the areas that attract less attention in the literature is the transition from basic thermoelectric materials research to the production of modules and devices. The effects of interface layers, diffusion barriers, thermal insulations, and heat sinks are reviewed. Finally, device performance from single couples to standard modules and long-term reliability are discussed.

Wang, Hsin↗
DOE OSTI2021

Barrier film constructions and methods of making same

A barrier film including a substrate; a base polymer layer adjacent to the substrate; an oxide layer adjacent to the base polymer layer; a adhesion-modifying layer adjacent to the oxide layer; and a top coat polymer layer adjacent to the adhesion-modifying layer. An optional inorganic layer can be applied over the top coat polymer layer. The inclusion of a adhesion-modifying layer provides for enhanced resistance to moisture and improved peel strength adhesion of the top coat polymer layer to the underlying barrier stack layers.

Spagnola, Joseph C.↗
DOE OSTI2021

Direct fabrication and characterization of vertically stacked Graphene/h-BN/Graphene tunnel junctions

We have used a lithography free technique for the direct fabrication of vertically stacked two-dimensional (2D) material-based tunnel junctions and characterized by Raman, AFM, XPS. We fabricated Graphene/h-BN/Graphene devices by direct deposition of graphene (bottom layer), h-BN (insulating barrier) and graphene (top layer) sequentially using a plasma enhanced chemical vapor deposition on Si/SiO 2 substrates. The thickness of the h-BN insulating layer was varied by tuning the plasma power and the deposition time. Samples were characterized by Raman, AFM, and XPS. The I-V data follows the barrier thickness dependent quantum tunneling behavior for equally doped graphene layers. The resonant tunneling behavior was observed at room temperature for oppositely doped graphene layers where hydrazine and ammonia were used for n-doping of one of the graphene layers. The resonance with negative differential conductance occurs when the band structures of the two electrodes are aligned. The doping effect of the resonant peak is observed for varying doping levels. The results are explained according to the Bardeen tunneling model.

2D-materials↗