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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 955 records · Page 53
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Evolution of N-Coordinated Iron–Carbon (FeNC) Catalysts and Their Oxygen Reduction (ORR) Performance in Acidic Media at Various Stages of Catalyst Synthesis: An Attempt at Benchmarking

The objective of this study was to understand the role of iron and the heat treatment steps involved in nitrogen-coordinated iron-carbon (FeNC) catalyst synthesis. We have studied the oxygen reduction reaction (ORR) performance of these catalysts as they evolve from their most crude and inactive form to their most active form. Electrochemical half-cell and fuel cell tests suggest that the presence of Fe was crucial in these samples. The high-temperature heat treatment (once in argon and then in ammonia) at temperatures ≥950 °C were also critical in imparting these catalysts with their highest activity; however, significant loss of activity was observed with cycling and potential hold at 0.5 V for 100 h. In addition, acid-washing after the first or the second pyrolysis steps produced a marked decrease in ORR activity relative to their unwashed counterparts. We also report findings from our efforts towards benchmarking FeNC catalysts for oxygen reduction reaction electrocatalysis. Specifically, we focus on correlating the specific kinetic current (iK) at 0.75 V to electrochemically accessible surface area (EASA) and roughness factor (RF) determined from electrochemical double layer capacitance measurements. 57 Fe Mössbauer spectroscopy was employed to shed light into the nature of active sites in FeNC catalysts and provide insights into their deactivation behavior caused by acid-washing. The results suggest planar FeN 4 doublet (Fe 2+ , low spin) as an active site in these materials, which may be leached away in acid, explaining their decreased activity after acid washing. Results for characterization experiments using X-ray photoelectron spectroscopy, temperature programmed oxidation and X-ray absorption spectroscopy, superconducting quantum interference device magnetometry are also presented.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Particulate Generation on Surface of Iron Selenide Films by Air Exposure

Nanometer-sized particular structures are generated on the surfaces of FeSe epitaxial films directly after exposure to air; this phenomenon was studied in the current work because these structures are an obstacle to field-induced superconductivity in electric double-layer transistors using FeSe channel layers. Chemical analyses using field-effect scanning Auger electron spectroscopy revealed no clear difference in the chemical composition between the particular structures and the other flat surface region. This observation limits the possible origins of the particulate formation to light elements in air such as O, C, H, and N.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Characterizing the Josephson Effect on Ba-122 Single-Crystal Junctions

This paper presents c-direction hybrid Josephson junctions with base electrodes of Co:BaFe{sub 2}As{sub 2} single crystals. To realize Josephson junctions, it applies standard photolithography technologies and a newly developed surface polishing method that was used. As conventional isotropic s-wave superconductor counter electrodes used double layers of Pb/In. The artificial barrier for the tunneling junctions consists of a thin sputtered Ti layer or a thermally evaporated Al layer; both layers were used as an insulator barrier. For characterizing the Josephson effects with TiO{sub x} barrier, we could realize I{sub c}R{sub N} products of about 13.7 μV and unconventional I{sub c}-T dependencies. The formation of Shapiro steps under the influence of microwave irradiation and magnetic field to the junctions will be discussed as well.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

On the Theory of Anisotropic Flat Elasticity

For the Lamé system from the flat anisotropic theory of elasticity, we introduce generalized double-layer potentials in connection with the function-theory approach. These potentials are built both for the translation vector (the solution of the Lamé system) and for the adjoint vector functions describing the stress tensor. The integral representation of these solutions is obtained using the potentials. As a corollary, the first and the second boundary-value problems in various spaces (Hölder, Hardy, and the class of functions just continuous in a closed domain) are reduced to the equivalent system of the Fredholm boundary equations in corresponding spaces. Note that such an approach was developed in [19, 20] for common second-order elliptic systems with constant (higher-order only) coefficients. However, due to important applications, it makes sense to consider this approach in detail directly for the Lamé system. To illustrate these results, in the last two sections we consider the Dirichlet problem with piecewise-constant Lamé coefficients when contact conditions are given on the boundary between two media. This problem is reduced to the equivalent system of the Fredholm boundary equations. The smoothness of kernels of the obtained integral operators is investigated in detail depending on the smoothness of the boundary contours.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Synthesis, structure, and luminescent properties of lanthanide complexes containing 1,10-phenanthroline and perfluorinated 2-mercaptobenzothiazolate ligands

Mononuclear terbium and erbium complexes of the composition Ln(mbt{sup F}){sub 3}phen and the dinuclear complex Tb{sub 2}(mbt{sup F}){sub 4}(OH){sub 2}(phen){sub 2} (mbt{sup F} is 4,5,6,7-tetrafluoro-2-mercaptobenzothiazolate, phen is 1,10-phenanthroline) were synthesized. The structures of the complexes Er(mbt{sup F}){sub 3}phen and Tb{sub 2}(mbt{sup F}){sub 4}(OH){sub 2}(phen){sub 2} were determined by X-ray diffraction. In the solid state, the terbium and erbium complexes exhibit intense metal-centered photoluminescence. Based on the complexes Ln(mbt{sup F}){sub 3}phen, double-layer organic light-emitting diodes (OLEDs) were assembled. These OLEDs exhibit electroplex emission with a band maximum at 630 nm.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Effect of the Enhanced Breakdown Strength in Plasma-Filled Optical System of Electron Beam Formation

The article presents recent results of the dramatically enhanced electric breakdown strength observed in the accelerating gap of a plasma-filled optical system for the formation and focusing of a wide-aperture pulsed electron beams with currents up to 80 A and energies up to 35 keV. This system is a plasma-optical diode type device in which the acceleration and formation of the electron beam occurs in the double layer between the emissive surface of the plasma cathode (electron emitter) stabilized by a fine mesh grid and the open surface of the anode plasma. The anode plasma is created by the toroidal plasma generator of original design based on the ion source with closed drift of electrons with an anode layer.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Volume Averaging Study of the Capacitive Deionization Process in Homogeneous Porous Media

Ion storage in porous electrodes is important in applications such as energy storage by supercapacitors, water purification by capacitive deionization, extraction of energy from a salinity difference and heavy ion purification. In this paper, a model is presented to simulate the charge process in homogeneous porous media comprising big pores. It is based on a theory for capacitive charging by ideally polarizable porous electrodes without faradaic reactions or specific adsorption of ions. A volume averaging technique is used to derive the averaged transport equations in the limit of thin electrical double layers. Transport between the electrolyte solution and the charged wall is described using the Gouy–Chapman–Stern model. The effective transport parameters for isotropic porous media are calculated solving the corresponding closure problems. Finally, the source terms that appear in the average equations are calculated using numerical computations. An alternative way to deal with the source terms is proposed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Modeling the Capacitive Deionization Process in Dual-Porosity Electrodes

In many areas of the world, there is a need to increase water availability. Capacitive deionization (CDI) is an electrochemical water treatment process that can be a viable alternative for treating water and for saving energy. A model is presented to simulate the CDI process in heterogeneous porous media comprising two different pore sizes. It is based on a theory for capacitive charging by ideally polarizable porous electrodes without Faradaic reactions or specific adsorption of ions. A two steps volume averaging technique is used to derive the averaged transport equations in the limit of thin electrical double layers. A one-equation model based on the principle of local equilibrium is derived. The constraints determining the range of application of the one-equation model are presented. The effective transport parameters for isotropic porous media are calculated solving the corresponding closure problems. The source terms that appear in the average equations are calculated using theoretical derivations. The global diffusivity is calculated by solving the closure problem.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2018

Microstructures and Mechanical Properties of Resistance Spot-Welded Steel/Aluminum Alloy Joints with Process Tapes

The microstructure and mechanical property of resistance spot-welded joints of steel and aluminum were studied by using process tapes. The steel/aluminum joint consists mainly of aluminum nugget and interface zone. The liquid nugget solidification has an epitaxial growth characteristic, and the interface zone displays a double-layer structure, Fe{sub 2}Al{sub 5} layer at steel side and Fe{sub 4}Al{sub 13} layer at aluminum nugget side. Compared with joints without process tape, the joint nugget diameter and tensile shear load increased by 35.45 and 10.98%, respectively, and its indentation ratio decreased by 56.25% due to the process tapes increasing heat input, producing larger nugget diameter and continuous interface layer, and protecting against deep indentation. The joining area of intermetallic layer and aluminum nugget is weak link in the joint. It is favorable to use the process tapes for improving welding quality, raising joint strength, and energy saving.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Oxidation Behavior of Austenitic Steels in Supercritical Water Containing Dissolved Oxygen

Oxidation tests of austenitic steel Super304H and HR3C were conducted at 550-600 °C in supercritical water under 25 MPa with the dissolved oxygen content. The oxidation rate of Super304H rapidly increased with increasing temperature, while the weight change of HR3C at 600 °C is slightly larger than that at 550 °C. A double-layer oxide scale developed on Super304H and HR3C steel, which was made up of an Fe-rich outer layer and a Cr-rich inner layer. The criterion contents of Cr were calculated for Super304H and HR3C. The effect of temperature and the Cr content on oxidation rate and oxide composition were discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Corrosion Behavior of Ta-10W Coatings on CP-Ti and TC4 Substrates

The corrosion resistance of commercial purity titanium (CP-Ti) and Ti-6Al-4V (TC4) alloys coated with Ta-10W via multi-arc ion plating is investigated. The coating with uniform thickness exhibited silvery, dense, and continuous surface without apparent defects. The interface between the Ta-10W coating and substrate was dense with light elemental diffusion. The coating x-ray diffraction profile was body-centered cubic, α-Ta. The corrosion current density of the coated samples was reduced by one order of magnitude in 3.5% HCl solution, compared to that of the substrates. Electrochemical impedance spectroscopy showed that the Ta-10W coating improved the substrate metal corrosion resistance by slowing down the corrosion tendency and rate, increasing the charge transfer resistance and dielectric property of the double layer. Electrochemical corrosion testing showed that the Ta-10W coating improved the substrates’ corrosion resistances. After immersion in 5% HCl solution for 168 h, the uncoated substrates exhibited severe corrosion, whereas the CP-Ti and TC4 substrates coated by Ta-10W were still intact and dense. Point scanning of the immersed corrosion demonstrated that the Ta-10W coating reduced the relative oxygen content from 5.17 to 0.78% of the TC4. These results indicated that the Ta-10W coating was efficient in protecting the CP-Ti and TC4 from corrosion.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Suppressing CO formation in low-temperature methanol steam reforming via Ce-modified CuZnGa layered oxide catalysts

Cu-based layered double hydroxides (LDHs) are widely recognized as effective catalysts for low-temperature methanol steam reforming, yet achieving high hydrogen productivity together with near-complete suppression of CO formation remains challenging. Here, we report the synthesis and evaluation of a series of CuZnGa LDH-derived catalysts and Ce-modified analogues prepared via an aqueous miscible organic method, which enables high metal dispersion and precise structural control. The optimized CuZnGa catalyst exhibits a hydrogen production rate of 16.9 µmol H 2 ·g cat −1 ·s −1 at 180 °C with an H 2 /CO ratio exceeding 3500, outperforming many state-of-the-art low-temperature systems. Importantly, the incorporation of small amounts of Ce further suppresses CO formation while maintaining high hydrogen productivity. Combined spectroscopic characterization and density functional theory calculations reveal that Ce is incorporated into the LDH lattice by substituting Ga 3+ sites up to a critical threshold, beyond which highly dispersed CeO x species are formed. These species provide mobile lattice oxygen that participates in a Mars-van Krevelen-type pathway, selectively oxidizing CO and suppressing the reverse water-gas shift reaction. This study establishes a clear relationship between Ce speciation, oxygen mobility, and catalytic selectivity in LDH-derived systems. The resulting catalysts demonstrate the potential of interface-engineered Cu-based materials for efficient low-temperature hydrogen production with minimal CO contamination.

09 BIOMASS FUELS↗
DOE OSTI2020

The potential application of VS 2 as an electrode material for Mg ion battery: A DFT study

Herein, by means of first-principle calculations based on density functional theory (DFT), the electrochemical properties of monolayer VS 2 (M-VS 2 ), double-layer VS 2 (D-VS 2 ) and bulk VS 2 (B-VS 2 ) as electrode materials for Mg-ion batteries (MIBs) were comprehensively explored. The computation results reveal that Mg atom can strongly bind with the three different forms of VS 2 . All of the Mg adsorbed VS 2 systems demonstrate metallic characteristics, which indicates a good electronic conductivity. In addition, crystal orbital hamiltonian population shows that the stability of V-S bond is weakened after adsorption of Mg atom. The low diffusion barriers of Mg give rise to the high rate performance of VS 2 in MIBs. More interestingly, the three types of VS 2 display same storage ability for Mg cations, which can adsorb 0.5 Mg atoms for VS 2 , producing maximum theoretical capacity 233 mA h g -1 for MIBs. Furthermore, the average working voltages results suggest that M-VS 2 can be employed as anode materials, while D-VS 2 , B-VS 2 can be used as cathode materials for MIBs.

25 ENERGY STORAGE↗
DOE OSTI2021

ESSENCE- A rapid, shear-enhanced, flow-through, capacitive electrochemical platform for rapid detection of biomolecules

The rapid, sensitive, and selective detection of target analytes using electrochemical sensors are challenging. ESSENCE, a new Electrochemical Sensor that uses a Shear-Enhanced, flowthrough Nanoporous Capacitive Electrode, overcomes current electrochemical sensors' response limitations, selectivity, and sensitivity limitations. ESSENCE is a microfluidic channel packed with transducer material sandwiched by a top and bottom microelectrode. The room-temperature instrument less integration process allows the switch of the transducer materials to make up the porous electrode without modifying the electrode architecture or device protocol. ESSENCE can be used to detect both biomolecules and small molecules by simply changing the packed transducer material. Electron microscopy results confirm the high porosity. In conjunction with the non-planar interdigitated electrode, the packed transducer material results in a flow-through porous electrode. Electron microscopy results confirm the high porosity. The enhanced shear forces and increased convective fluxes disrupt the electric double layer's (EDL) diffusive process in ESSENCE. This disruption migrates the EDL to high MHz frequency allowing the capture signal to be measured at around 100 kHz, significantly improving device timing (rapid detection) with a low signal-to-noise ratio. The device’s unique architecture allows us multiple configuration modes for measuring the impedance signal. This allows us to use highly conductive materials like carbon nanotubes. We show that by combining single-walled carbon nanotubes as transducer material with appropriate capture probes, NP-µIDE has high selectivity and sensitivity for DNA (fM sensitivity, selective against non-target DNA), breast cancer biomarker proteins (p53, pg/L sensitivity, selective against non-target HER2).

Cheng, Yu-Hsuan↗
DOE OSTI2013

Chemistry of the calcite/water interface: Influence of sulfate ions and consequences in terms of cohesion forces

Calcite suspensions are used to mimic the behavior of more complex cementitious systems. Therefore the characterization of calcite–water interface in strong alkaline conditions, through ionic adsorption, electrokinetic measurements, static rheology and atomic force microscopy is a prerequisite. Calcium, a potential determining ion for calcite, adsorbs specifically onto the weakly positively charged calcite surface in water. This leads to an increase of the repulsive electric double layer force and thus weakens the particle cohesion. Sulfate adsorption, made at constant calcium concentration and ionic strength, significantly increases the attractive interactions between the calcite particles despite its very low adsorption. This is attributed to a lowering of the electrostatic repulsion in connection with the evolution of the zeta potential. The linear relationship found between the yield stress and ζ{sup 2} proves that the classical DLVO theory applies for these systems, contrary to what was previously observed with C–S–H particles under the same conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Characterisation of Ba(OH){sub 2}–Na{sub 2}SO{sub 4}–blast furnace slag cement-like composites for the immobilisation of sulfate bearing nuclear wastes

Soluble sulfate ions in nuclear waste can have detrimental effects on cementitious wasteforms and disposal facilities based on Portland cement. As an alternative, Ba(OH){sub 2}–Na{sub 2}SO{sub 4}–blast furnace slag composites are studied for immobilisation of sulfate-bearing nuclear wastes. Calcium aluminosilicate hydrate (C–A–S–H) with some barium substitution is the main binder phase, with barium also present in the low solubility salts BaSO{sub 4} and BaCO{sub 3}, along with Ba-substituted calcium sulfoaluminate hydrates, and a hydrotalcite-type layered double hydroxide. This reaction product assemblage indicates that Ba(OH){sub 2} and Na{sub 2}SO{sub 4} act as alkaline activators and control the reaction of the slag in addition to forming insoluble BaSO{sub 4}, and this restricts sulfate availability for further reaction as long as sufficient Ba(OH){sub 2} is added. An increased content of Ba(OH){sub 2} promotes a higher degree of reaction, and the formation of a highly cross-linked C–A–S–H gel. These Ba(OH){sub 2}–Na{sub 2}SO{sub 4}–blast furnace slag composite binders could be effective in the immobilisation of sulfate-bearing nuclear wastes.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2017

Phase diagrams for alkali-activated slag binders

Phase diagrams for alkali-activated slag (AAS) binders are simulated at (metastable) thermodynamic equilibrium, spanning the relevant compositional envelopes for these materials. The phase diagrams are generally consistent with experimental observations in the literature, dominated by calcium (alkali) aluminosilicate hydrate (C-(N-)A-S-H) gels and Mg-Al layered double hydroxides. Relationships between the stabilities of the predicted solid phase assemblages, pore solution compositions, and the bulk chemical composition are identified, yielding an improved understanding of AAS binder chemistry. Strätlingite is predicted at low to intermediate Si concentrations and at high Al content, while zeolites (and thus most likely also disordered alkali-aluminosilicate (hydrate) gels) tend to precipitate at higher concentrations of both Si and Al; katoite and AFm-type phases are stabilised at intermediate levels of CaO + Al{sub 2}O{sub 3} + MgO. The application of these results in designing AAS binders can enable the phase assemblages and chemical properties of these materials to be more precisely controlled.

36 MATERIALS SCIENCE↗
DOE OSTI2021

The anion exchange properties of AFm (hydrocalumite-group) minerals defined from solubility experiments and crystallographic information

Solubility experiments with binary series of OH-, Cl-, SO{sub 4}- and CO{sub 3}-AFm were re-examined with a non-ideal, multicomponent solid solution model. The electrical double layer on the mineral's outer surface, which neutralizes about 5% of the anionic charge, can be included. The choice of the end-members in the solid solution and the reaction formulation can help to eliminate the ‘non-ideality’ for OH-SO{sub 4} and Cl-OH exchange. CO{sub 3}-Cl-OH exchange is not ideal in the solubility experiments, nor can it be, because the mineral volume is not a linear combination of the end-members. The solubilities of the end-members are related to the anion charge and inversely to the anion-layer thickness. OH is part of the anion-charge, even when a pure, other anion form is the target of the synthesis. Pure OH-AFm is unstable and converts into hydrogarnet and portlandite, depending on the precipitation rate of hydrogarnet.

36 MATERIALS SCIENCE↗