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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 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

A simple and green strategy for preparing luminescent Tb{sup 3+} complex-based nanocomposite with stable luminescence in water

Graphical abstract: A water-soluble Tb{sup 3+} complex-based nanocomposite has been prepared through a simple and green method, showing good luminescence stability in aqueous environment and highly selective sensing ability for THF in water. - Highlights: • A new Tb(III) hybrid material with bright green luminescence was prepared through a very simple and green procedure. • The material exhibits good luminescence stability in aqueous solution. • The material can be applied for detecting low THF content (0.1–6.0 vol%) in aqueous solution. - Abstract: Luminescent lanthanide-based nanocomposites (LnNCs) with intense and stable luminescence in aqueous media are in high demand for sensing and biological applications. Herein we report a new water-soluble LnNCs that prepared through a very simple and green procedure, with bright green luminescence dominated by {sup 5}D{sub 4} → {sup 7}F{sub 5} transition (542 nm) of Tb{sup 3+}, showing improved luminescence behavior compared with the complex Tb(Sal){sub 3}·2H{sub 2}O (Sal = salicylic acid) and good luminescence stability in aqueous solution even for considerable time (3 weeks) ascribed to the protective effect of the clay substrate to the Tb{sup 3+} complex. Moreover, the material exhibits rapid and highly selective sensing of tetrahydrofuran (THF) and can be applied for detecting low THF content (0.1–6.0 vol%) in aqueous solution.

36 MATERIALS SCIENCE↗
NASA NTRS2004

Low conductivity and sintering-resistant thermal barrier coatings

A thermal barrier coating composition comprising a base oxide, a primary stabilizer oxide, and at least one dopant oxide is disclosed. Preferably, a pair of group A and group B defect cluster-promoting oxides is used in conjunction with the base and primary stabilizer oxides. The new thermal barrier coating is found to have significantly lower thermal conductivity and better sintering resistance. The base oxide is selected from the group consisting of zirconia and hafnia and combinations thereof. The primary stabilizing oxide is selected from the group consisting of yttria, dysprosia, erbia and combinations thereof. The dopant or group A and group B cluster-promoting oxide dopants are selected from the group consisting of rare earth metal oxides, transitional metal oxides, alkaline earth metal oxides and combinations thereof. The dopant or dopants preferably have ionic radii different from those of the primary stabilizer and/or the base oxides.

Zhu, Dongming↗
DOE OSTI2023

TaO x electron transport layers for CO 2 reduction Si photocathodes

Electron transport layers (ETLs) used as components of photocathodes for light-driven CO 2 reduction (CO 2 R) in aqueous media should have good electronic transport, be stable under CO 2 R conditions, and, ideally, be catalytically inert for the competing hydrogen evolution reaction (HER). Here, using planar p-Si (100) as the absorbing material, we show that TaO x satisfies all three of the above criteria. TaO x films were synthesized by both pulsed laser deposition (PLD) and radio-frequency (RF) sputtering. In both cases, careful control of the oxygen partial pressure during growth was required to produce ETLs with acceptable electron conductivity. p-Si/TaO x photocathodes were interfaced with ca. 10 nm of a CO 2 R catalyst: Cu or Au. Under front illumination with simulated AM 1.5G in CO 2 -saturated bicarbonate buffer, we observed, for both metals, faradaic efficiencies for CO 2 R products of ~50% and ~30% for PLD TaO x and RF sputtered TaO x , respectively, at photocurrent densities up to 8 mA cm -2 . p-Si/TiO 2 /Cu photocathodes were also evaluated but produced mostly H 2 (>97%) due to reduction of the TiO 2 to Ti metal under CO 2 R conditions. In contrast, a dual ETL photocathode (p-Si/TiO 2 /TaO x /Cu) was selective for CO 2 R, which suggests a strategy for separately optimizing selective charge collection and the stability of the ETL/water interface. The maximum photovoltage obtained with p-Si/TaO x /Cu devices was 300 mV which was increased to 430–460 mV by employing ion implantation to make pn + -Si/TaO x /Cu structures. Photocathodes with RF sputtered TaO x ETLs are stable for CO 2 R for at least 300 min. In conclusion, techno-economic analysis shows that the reported system, if scaled, could allow for an economically viable production of feedstocks for chemical synthesis under the adoption of specific CO 2 credit schemes, thus becoming a significant component of carbon-neutral manufacturing.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Fractionation of Lignin for Selective Shape Memory Effects at Elevated Temperatures

We report a facile approach to control the shape memory effects and thermomechanical characteristics of a lignin-based multiphase polymer. Solvent fractionation of a syringylpropane-rich technical organosolv lignin resulted in selective lignin structures having excellent thermal stability coupled with high stiffness and melt-flow resistance. The fractionated lignins were reacted with rubber in melt-phase to form partially networked elastomer enabling selective programmability of the material shape either at 70 °C, a temperature that is high enough for rubbery matrix materials, or at an extremely high temperature, 150 °C. Utilizing appropriate functionalities in fractionated lignins, tunable shape fixity with high strain and stress recovery, particularly high-stress tolerance were maintained. Detailed studies of lignin structures and chemistries were correlated to molecular rigidity, morphology, and stress relaxation, as well as shape memory effects of the materials. The fractionation of lignin enabled enrichment of specific lignin properties for efficient shape memory effects that broaden the materials’ application window. Electron microscopy, melt-rheology, dynamic mechanical analysis and ultra-small angle neutron scattering were conducted to establish morphology of acrylonitrile butadiene rubber (NBR)-lignin elastomers from solvent fractionated lignins.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Evaluation of Corrosion Behavior of Various Fe- and Ni-Based Alloys in Molten Li 2 BeF 4 (FLiBe)

Reliable performance of structural alloys is essential for the successful implementation of Generation-IV fluoride salt–cooled high-temperature reactors (FHRs). Most FHR designs are considering molten salt (2LiF-BeF 2 ), or FLiBe, as a primary coolant or fuel carrier. The main corrosion mechanism for alloys exposed to molten fluoride salts is the selective dealloying of active alloying elements. Alloy composition has a significant effect on their high-temperature mechanical properties, but also affects their corrosion behavior. Although Hastelloy-N and its variants show good corrosion resistance compared to higher Cr-containing Ni- or Fe-based alloys, the mechanical properties of these alloys degrade quickly at temperatures above ~600°C. Twelve Ni-based or Fe-based alloys were selected due to their high temperature stability or their low Cr alloy composition and tested for their corrosion behavior in FLiBe. The results show that the mode and the extent of alloy degradation by selective dissolution mechanism corelates well with the overall alloy composition, and not just the concentration of active elements. It was found that there was good correlation between weight loss of the tested alloys and the ratio of major active elements (Cr, Mn) to that of the more noble alloying elements (Ni, Mo).

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1982

Modal control of relaxed static stability aircraft

A method is developed that assigns a selected portion of a closed loop system eigenstructure in accordance with certain desirable criteria. The method is applied here to a relaxed static stability aircraft, the goal being to synthesize a control law that provides the unstable aircraft with handling qualities equal to or better than those of a comparable statically stable aircraft. It is shown that by using the target system eigenstructure, good flight characteristics are achieved by the unstable aircraft. It is also shown that improved characteristics can be obtained by assigning an orthogonal eigenvector structure.

Rooney, R. H.↗
DOE OSTI2025

Atomic‐Scale Mechanisms of Nucleation and Stabilization in CuCrO 2 and CuFeO 2 Delafossite Thin Films on Al 2 O 3

Abstract Delafossite thin films exhibit a range of intriguing physical properties derived from their layered structure, which consists of alternating noble metal ( A + ) and ( B O 2 − ) sublayers in an AB O 2 stoichiometry. The integration of these properties into functional devices requires the successful epitaxial growth of delafossites as thin films on appropriate substrates. Unfortunately, their unique lattice geometry complicates growth, as different delafossites display variable behavior on the same substrate, often unrelated to lattice mismatch. This suggests the presence of yet unidentified stabilization mechanisms that enable the selective growth of certain delafossites, allowing them to be grown either as films themselves or to be used as buffer layers for subsequent deposition. In this study, advanced scanning transmission electron microscopy (STEM) is employed to investigate the nucleation mechanisms governing the stable growth of Cu‐based delafossites on Al 2 O 3 , specifically CuCrO 2 and CuFeO 2 thin films synthesized via molecular‐beam epitaxy. These findings reveal that a combination of a misfit dislocation network at the interface and monolayer‐deep chemical intermixing effectively relieves lattice mismatch strain. This mechanism, which differs fundamentally from that observed in Pd‐based delafossites, provides key insights into the controlled epitaxy of delafossite materials.

Scheid, Anna [Max Planck Institute for Solid State↗
DOE OSTI2025

Impact of Advances in Anion Exchange Membranes and Ionomers on Alkaline Fuel Cells

Abstract The operation of low‐temperature electrochemical energy conversion systems (fuel cells, electrolyzers) at high pH values is of perennial interest due to the possibility of moving away from expensive platinum group metal catalysts and reducing cost. Historically, the anion exchange membranes (AEMs) and ionomers have been hampered by performance (ionic conductivity, mechanical strength) and chemical stability issues. In this context, select developments over the past decade in alternate AEM chemistries, water management methods, and production of membrane electrode assemblies (MEAs) that have enabled a significant leap in performance of alkaline fuel cells are examined. These developments are linked to performance improvements in alkaline H 2 /O 2 fuel cells and also consider developments in alkaline fuel cells using nitrogen‐containing fuels (ammonia, hydrazine), carbon‐containing fuels (alcohols, glycols), and boron‐containing fuels (sodium borohydride, ammonia borane). Finally, current challenges and bottlenecks are identified, and potential solutions are proposed.

Chemistry↗
DOE OSTI2023

Boosting Electrochemical Catalysis and Nonenzymatic Sensing Toward Glucose by Single‐Atom Pt Supported on Cu@CuO Core–Shell Nanowires

Abstract It is critical to develop high‐performance electrocatalyst for electrochemical nonenzymatic glucose sensing. In this work, a single‐atom Pt supported on Cu@CuO core–shell nanowires (Pt 1 /Cu@CuO NWs) for electrochemical nonenzymatic glucose sensor is designed. Pt 1 /Cu@CuO NWs exhibit excellent electrocatalytic oxidation toward glucose with 70 mV lower onset potential (0.131 V) and 2.4 times higher response current than Cu NWs. Sensors fabricated using Pt 1 /Cu@CuO NWs also show high sensitivity (852.163 µA mM −1 cm −2 ), low detection limit (3.6 µM), wide linear range (0.01–5.18 µM), excellent selectivity, and great long‐term stability. The outstanding sensing performance of Pt 1 /Cu@CuO NWs, investigated by experiments and density functional theory (DFT) calculations, is attributed to the synergistic effect between Pt single atoms and Cu@CuO core–shell nanowires that generates strong binding energy of glucose on the nanowires. The work provides a new pathway for exploring highly active SACs for electrochemical nonenzymatic glucose sensor.

Chemistry↗
DOE OSTI2021

Electropolymerized-molecularly imprinted polymers (E-MIPS) as sensing elements for the detection of dengue infection

Here, a straightforward in situ detection method for dengue infection was demonstrated through the molecular imprinting of a dengue nonstructural protein 1 (NS1) epitope into an electropolymerized molecularly imprinted polyterthiophene (E-MIP) film sensor. The key enabling step in the sensor fabrication is based on an epitope imprinting strategy, in which short peptide sequences derived from the original target molecules were employed as the main template for detection and analysis. The formation of the E-MIP sensor films was facilitated using cyclic voltammetry (CV) and monitored in situ by electrochemical quartz crystal microbalance (EC-QCM). Surface properties were analyzed using different techniques including atomic force microscopy (AFM), X-ray photoelectron spectroscopy (XPS), and polarization modulation-infrared reflection-adsorption (PM-IRRAS). The standard calibration curve (R = 0.9830) was generated for the detection of the epitope, Ac-VHTWTEQYKFQ-NH 2 , with a linear range of 0.2 to 30 μg/mL and detection limit of 0.073 μg/mL. A separate calibration curve (R = 0.9786) was obtained using spiked buffered solutions of dengue NS1 protein, which resulted in a linear range of 0.2 to 10 μg/mL and a detection limit of 0.056 μg/mL. The fabricated E-MIP sensor exhibited long-term stability, high sensitivity, and good selectivity towards the targeted molecules. These results indicated that the formation of the exact and stable cavity imprints in terms of size, shape, and functionalities was successful. In our future work, we aim to use our E-MIP sensors for NS1 detection in real-life samples such as serum and blood.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Deposition of Pd–Ag thin film membranes on ceramic supports for hydrogen purification/separation

Highlights: • Thin film Pd–Ag membranes have been produced for hydrogen selectivity. • Magnetron sputtering yields Pd–Ag compact films for atomic H diffusion. • The thin film Pd–Ag membranes yielded a selectivity of α (H{sub 2}/N{sub 2}) = 10. - Abstract: Pd–Ag based membranes supported on porous α-Al{sub 2}O{sub 3} (doped with yttria-stabilized zirconia) were studied for hydrogen selective separation. Magnetron sputtering technique was employed for the synthesis of thin film membranes. The hydrogen permeation flux is affected by the membrane columnar structure, which is formed during deposition. From scanning electron microscopy analysis, it was observed that different sputtering deposition pressures lead to distinct columnar structure growth. X-ray diffraction patterns provided evidence of a Pd–Ag solid solution with an average crystallite domain size of 21 nm, whose preferential growth can be altered by the deposition pressure. The gas-permeation results have shown that the Pd–Ag membrane supported on porous α-Al{sub 2}O{sub 3} is selective toward H{sub 2}. For optimized membrane synthesis conditions, the permeance toward N{sub 2} is 0.076 × 10{sup −6} mol m{sup −2} s{sup −1} Pa{sup −1} at room temperature, whereas for a pressure difference of 300 kPa the H{sub 2}-flux is of the order of ca. 0.21 mol m{sup −2} s{sup −1}, which corresponds to a permeance of 0.71 × 10{sup −6} mol m{sup −2} s{sup −1} Pa{sup −1}, yielding a selectivity of α (H{sub 2}/N{sub 2}) = 10. These findings suggest that the membrane has a reasonable capacity to selectively permeate this gas.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Low cost fabrication of highly sensitive ethanol sensor based on Pd-doped α-Fe2O3 porous nanotubes

Highlights: • Novel porous tubular nanostructures of α-Fe{sub 2}O{sub 3} are proposed. • The sensor based on 3.0 wt% Pd-doped α-Fe{sub 2}O{sub 3} porous nanotubes exhibited superior gas-sensing properties to ethanol. • The detection limit of the sensor for ethanol gas is as low as 0.1 ppm at 240 °C. • The sensor possesses an excellent reproducibility and good linearity (0.1–400 ppm) in ethanol detection. - Abstract: Pure and Pd-doped α-Fe{sub 2}O{sub 3} porous nanotubes (PNTs) are synthesized by a facile electrospinning approach. Different Pd dopant concentrations are introduced to investigate the dopant’s role in sensing performance. The structures and chemical compositions of the as-prepared products are examined using a series of characterization methods including XRD, EDS, SEM, TEM, XPS and BET. The gas-sensing properties of the sensor based on above PNTs are studied. And the results reveal that, compared with pure α-Fe{sub 2}O{sub 3}, the 3.0 wt% Pd-doped α-Fe{sub 2}O{sub 3} PNTs sensors exhibit superior performance in ethanol detection (at 240 °C). The highest sensitivity reaches 65.4 for 50 ppm ethanol and the detection limit is as low as 0.1 ppm. In addition, the sensors also show excellent selectivity, good long-term stability and as well as rapid response/recovery time (8 s/30 s, respectively) to ethanol. The improvement of sensing performance is mainly attributed to the dramatic sensitization of the additional Pd components.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2026

Hydration size-dependent transport of ions across nanoporous graphene membranes

Nanoporous atomically-thin membranes are promising candidates for metal ion separations due to their chemical stability and high permeance and selectivity, but experimental evidence of the mechanisms responsible for ion-ion selectivity is sparse. Here, in this work, we measured the simultaneous diffusion of a dilute mixture of ten different Group I, Group II, and rare earth cations in a salt background across nanoporous graphene (NPG) membranes with sub-nanometer pores. The membranes exhibited ion-ion selectivity, including between similarly-charged ions. Cation transport was governed primarily by the hydrated ion size that was consistent with continuum models of ion diffusion, with additional influence of the ionic charge. Selectivity enhancement was achieved by modifying ion sizes using an ion-selective complexing agent. Our study provides evidence of the importance of size-sieving and electrostatic mechanisms governing ion transport across NPG, and allows for quantitative prediction of transport rates to guide future development of ion-selective atomically-thin membranes.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Solid-state dewetting instability in thermally-stable nanocrystalline binary alloys

Practical applications of nanocrystalline metallic thin films are often limited by instabilities. Furthermore, in addition to grain growth, the thin film itself can become unstable and collapse into islands through solid-state dewetting. Additionally, selective alloying can improve nanocrystalline stability, but the impact of this approach on dewetting is not clear. In this study, two alloys that exhibit nanocrystalline thermal stability as ball milled powders are evaluated as thin films. While both alloys demonstrated dewetting behavior following annealing, the severity decreased in more dilute compositions. Ultimately, a balance may be struck between nanocrystalline stability and thin film structural stability by tuning dopant concentration.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Liquid Phase Modeling in Porous Media: Adsorption of Methanol and Ethanol in H-MFI in Condensed Water

Zeolites are used in the chemical and separation industries for their exceptional selectivity, adsorption capacity, regenerability, and stability in gas and liquid phase processing. Here, we developed an explicit solvation method for predicting solvent/condensed phase effects on adsorption free energies in microporous media such as zeolites based on the hybrid quantum mechanical/molecular mechanical free energy perturbation (QM/MM-FEP) technique. Our explicit solvation method for zeolite systems, called eSZS, aims to capture site-specific interactions during the adsorption process at the Brønsted acid sites of H-MFI zeolite while still considering the diverse configuration space of the solvent molecules. This strategy is ideal for chemical reactions or adsorbates that interact with the microporous medium in few distinct adsorbate/transition state configurations, i.e., the harmonic or similar approximations are acceptable for the adsorbate/transition state while such approximations break down for the solvent molecules that require extensive configuration space sampling. In this way, our approach effectively overcomes the limitations of implicit solvation models and classical force field methods for describing solvation effects on chemical reactions within porous materials such as zeolites. Specifically, in this study, we investigated various aspects of our hybrid QM/MM approach, including QM cluster size dependencies in a periodic electrostatically embedded cluster model (PEECM), rules for link atoms at the QM/MM boundary, and functional and basis set considerations for converged and reasonably accurate gas and aqueous phase methanol and ethanol adsorption free energy predictions in H-MFI. For gas phase adsorption of methanol and ethanol in H-MFI at a Brønsted acid site in T12 position, we compute adsorption free energies at 298 K of −0.61 and −0.75 eV, respectively, using a PEECM containing 50 Si and 1 Al atom with ωB97x-D/def2-TZVP level of theory. For solvent effect calculations, we sample the aqueous phase using grand canonical Monte Carlo (GCMC) simulations to (1) obtain a mean field of electrostatic interactions in the reaction system and (2) perform a rigorous free energy perturbation calculation. Similar to the experimentally and computationally observed endergonic solvation effects observed for hydrocarbon adsorption on metal surfaces, we also observe that a condensed aqueous environment destabilizes methanol and ethanol at these acid sites in H-MFI at 298 K. Specifically, the computed solvation free energies of adsorption (ΔΔG solv ) for methanol and ethanol are +0.44 and +0.54 eV, respectively. From this study, it is evident that adsorbates (methanol and ethanol) are competing with water for adsorption space inside the H-MFI zeolite, leading to an endergonic solvation effect. Here, we expect that the endergonic, aqueous solvent effect during adsorption in microporous zeolites is highly tunable by changing the pore size and hydrophobicity of the microporous material as this will affect the water density inside the pore structure.

Adsorption↗
DOE OSTI2023

Adsorbate-Induced Strong Metal–Support Interactions: Implications for Catalyst Design

Since the discovery of strong metal–support interactions (SMSIs) over supported metal catalysts in the 1970s, researchers have studied ways to harness this type of catalyst reconstruction to achieve enhanced stability of metal particles against sintering and to create catalytic sites with novel electronic and bonding properties. The motivation to elucidate performance–structure relationships in catalytic transformations has led researchers to take a closer look into catalytic surfaces under reaction conditions rather than a postreaction analysis. These investigations of operating catalysts have made it clear that SMSIs are more common than initially thought. Recent reports show how various adsorbed species, rather than traditional H 2 /O 2 treatment, can promote SMSI in various catalytic systems, a phenomenon named adsorbate-induced SMSI (A-SMSI). Researching the occurrence of A-SMSI has allowed fundamental understanding of catalyst stability, catalytic rates, and product selectivity. The present Perspective discusses the state-of-the-art regarding A-SMSI, the current challenges, and the opportunities ahead in heterogeneous catalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗