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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Final Status Surveys of Subsurface Contaminated Areas - 19473

This paper addresses how the U.S. Army Corps of Engineers (USACE) has performed final status surveys (FSS) at sites with subsurface contaminated areas. The Multi-Agency Radiation Survey and Site Investigation Manual (MARSSIM) guidance addresses only surficial contamination. This paper will explore alternative methodologies used by the USACE to demonstrate compliance with the release criterion when contamination extends below the surface. Special challenges posed by small areas of elevated activity at depth will also be addressed. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2026

Atomic-scale vacancy engineering unlocks basal-plane catalytic activity in metallic WSe 2 for reversible oxygen electrocatalysis

Two-dimensional metallic transition metal dichalcogenides offer high electrical conductivity and large surface areas for electrocatalysis, yet their inherent basal planes are catalytically inert. Here, we present an atomic-scale vacancy engineering strategy to activate the basal surfaces of metallic WSe 2 for reversible oxygen electrocatalysis. This approach, based on intentionally designed substitutional metal doping, promotes the spontaneous formation of selenium vacancies while preserving the metallic 1 T′ phase, thereby creating highly reactive and oxygen-affinitive sites. Density functional theory calculations reveal that these vacancy-mediated metal complexes dramatically lower the energy barriers for initial oxygen adsorption, enabling dissociative oxygen adsorption. Operando and ex-situ spectroscopic analyses confirm that vacancy-mediated metal complexes transform into dynamic Se/W-oxide intermediates under operating conditions. Se/W-oxides on the surface experimentally and theoretically prove electrocatalytic activity and reversibility. Applying this strategy in lithium–oxygen batteries, the basal-plane activated WSe 2 shows high discharge capacities (9868 mA h g −1 , corresponding to 3947 mA h g$^{-1}_{cathode}$), impressive cycle retention over 550 cycles at 1000 mA h g −1 , and outstanding rate–capability over a wide current–density range (100–3000 mA g −1 ) during 256 cycles.

2D materials↗
DOE OSTI2017

Chromium(II) Metal–Organic Polyhedra as Highly Porous Materials

Herein we report for the first time the synthesis of Cr(II)-based metal–organic polyhedra (MOPs) and the characterization of their porosities. Unlike the isostructural Cu(II)- or Mo(II)-based MOPs, Cr(II)-based MOPs show unusually high gas uptakes and surface areas. The combination of comparatively robust dichromium paddlewheel units (Cr 2 units), cage symmetries, and packing motifs enable these materials to achieve Brunauer–Emmett–Teller surface areas of up to 1000 m 2 /g. Reducing the aggregation of the Cr(II)-based MOPs upon activation makes their pores more accessible than their Cu(II) or Mo(II) counterparts. Further comparisons of surface areas on a molar (m2/mol cage) rather than gravimetric (m 2 /g) basis is proposed as a rational method of comparing members of a family of related molecular materials.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Carbon Free and Noble Metal Free Ni 2 Mo 6 S 8 Electrocatalyst for Selective Electrosynthesis of H 2 O 2

Electrocatalytic two-electron reduction of oxygen is a promising method for producing sustainable H 2 O 2 but lacks low-cost and selective electrocatalysts. Here, the Chevrel phase chalcogenide Ni 2 Mo 6 S 8 is presented as a novel active motif for reducing oxygen to H 2 O 2 in an aqueous electrolyte. Although it has a low surface area, the Ni 2 Mo 6 S 8 catalyst exhibits exceptional activity for H 2 O 2 synthesis with >90% H 2 O 2 molar selectivity across a wide potential range. Chemical titration verified successful generation of H 2 O 2 and confirmed rates as high as 90 mmol H 2 O 2 g cat –1 h –1 . The outstanding activities are attributed to the ligand and ensemble effects of Ni that promote H 2 O dissociation and proton-coupled reduction of O 2 to HOO*, and the spatial effect of the Chevrel phase structure that isolates Ni active sites to inhibit O—O cleavage. The synergy of these effects delivers fast and selective production of H 2 O 2 with high turn-over frequencies of ≈30 s –1 . Additionally, the Ni 2 Mo 6 S 8 catalyst has a stable crystal structure that is resistive for oxidation and delivers good catalyst stability for continuous H 2 O 2 production. The described Ni-Mo6S8 active motif can unlock new opportunities for designing Earth-abundant electrocatalysts to tune oxygen reduction for practical H 2 O 2 production.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Iridium-Doped Nanosized Zn–Al Layered Double Hydroxides as Efficient Water Oxidation Catalysts

Layered double hydroxides (LDHs) are an ideal platform to host catalytic metal centers for water oxidation (WO) owing to the high accessibility of water to the interlayer region, which makes all centers potentially reachable and activated. In this paper, we report the syntheses of three iridium-doped zinc–aluminum LDHs (Ir-LDHs) nanomaterials (1–3, with about 80 nm of planar size and a thickness of 8 nm as derived by field emission scanning electron microscopy and powder X-ray diffraction studies, respectively), carried out in the confined aqueous environment of reverse micelles, through a very simple and versatile procedure. These materials exhibit excellent catalytic performances in WO driven by NaIO 4 at neutral pH and 25 °C, with an iridium content as low as 0.5 mol % (~0.8 wt %), leading to quantitative oxygen yields (based on utilized NaIO 4 , turnover number up to ~10,000). Nanomaterials 1–3 display the highest ever reported turnover frequency values (up to 402 min –1 ) for any heterogeneous and heterogenized catalyst, comparable only to those of the most efficient molecular iridium catalysts, tested under similar reaction conditions. The boost in activity can be traced to the increased surface area and pore volume (>5 times and 1 order of magnitude, respectively, higher than those of micrometric materials of size 0.3–1 μm) estimated for the nanosized particles, which guarantee higher noble metal accessibility. X-ray absorption spectroscopy (XAS) studies suggest that 1–3 nanomaterials, as-prepared and after catalysis, contain a mixture of isolated, single octahedral Ir(III) sites, with no evidence of Ir–Ir scattering from second-nearest neighbors, excluding the presence of IrO 2 nanoparticles. The combination of the results obtained from XAS, elemental analysis, and ionic chromatography strongly suggests that iridium is embedded in the brucite-like structure of LDHs, having four hydroxyls and two chlorides as first neighbors. These results demonstrate that nanometric LDHs can be successfully exploited to engineer efficient WOCs, minimizing the amount of iridium used, consistent with the principle of the noble-metal atom economy.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Quaternary FeCoNiMn-Based Nanocarbon Electrocatalysts for Bifunctional Oxygen Reduction and Evolution: Promotional Role of Mn Doping in Stabilizing Carbon

The intrinsic instability of carbon largely limits its use for the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) as a bifunctional catalyst in reversible fuel cells or water electrolyzers. In this paper, we discovered that Mn doping has a promotional role in stabilizing nanocarbon catalysts for the ORR/OER in alkaline media. Stable nanocarbon composites are derived from an inexpensive carbon/nitrogen precursor (i.e., dicyandiamide) and quaternary FeCoNiMn alloy via a template-free carbonization process. In addition to FeCoNiMn metal alloys/oxides, the carbon composites comprise substantial carbon tube forests growing on a thick and dense graphitic substrate. The dense carbon substrate with high degree of graphitization results from Mn doping, while active nitrogen-doped carbon tubes stem from FeCoNi. Catalyst structures and performance are greatly dependent on the doping content of Mn. Various accelerated stress tests (AST) and life tests verify the encouraging ORR/OER stability of the nanocarbon composite catalyst with optimal Mn doping. Extensive characterization before and after ASTs elucidates the mechanism of stability enhancement resulting from Mn doping, which is attributed to (i) hybrid carbon nanostructures with enhanced resistance to oxidation and (ii) the in situ formation of the β-MnO 2 and FeCoNi-based oxides capable of preventing carbon corrosion and promoting activity. Note that the improvement in stability due to Mn doping is accompanied by a slight activity loss due to a decrease in surface area. Finally, this work provides a strategy to stabilize carbon catalysts by appropriately integrating transition metals and engineering carbon structures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Highly Porous Zirconium Metal–Organic Frameworks with β-UH 3 -like Topology Based on Elongated Tetrahedral Linkers

Two non-interpenetrated zirconium metal–organic frameworks (Zr-MOFs), NPF-200 and NPF-201, were synthesized via the assembly of elongated tetrahedral linkers with Zr 6 and Zr 8 clusters. They represent the first examples of MOFs to have the β-UH 3 -like, 4,12,12T1 topology. Upon activation, NPF-200 exhibits the largest BET surface area (5463 m 2 g –1 ) and void volume (81.6%) among all MOFs formed from tetrahedral ligands. Composed of negative-charged boron-centered tetrahedral linkers, NPF-201 is an anionic Zr-MOF which selectively uptakes photoactive [Ru(bpy) 3 ] 2+ for heterogeneous photo-oxidation of thioanisole.

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

Highly porous non-precious bimetallic electrocatalysts for efficient hydrogen evolution

One of the key components of carbon dioxide-free hydrogen production is a robust and efficient non-precious metal catalyst for the hydrogen evolution reaction. We report that a hierarchical nanoporous copper-titanium bimetallic electrocatalyst is able to produce hydrogen from water under a mild overpotential at more than twice the rate of state-of-the- art carbon-supported platinum catalyst. Although both copper and titanium are known to be poor hydrogen evolution catalysts, the combination of these two elements creates unique copper-copper-titanium hollow sites, which have a hydrogen-binding energy very similar to that of platinum, resulting in an exceptional hydrogen evolution activity. Moreover, the hierarchical porosity of the nanoporous-copper titanium catalyst also contributes to its high hydrogen evolution activity, because it provides a large-surface area for electrocatalytic hydrogen evolution, and improves the mass transport properties. Moreover, the catalyst is self-supported, eliminating the overpotential associated with the catalyst/support interface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

A hydrogen peroxide electrochemical sensor based on silver nanoparticles decorated three-dimensional graphene

A facile strategy has been developed to synthesize sliver nanoparticles (Ag NPs) decorated three-dimensional graphene (3DG) through hydrothermal process. The AgNPs-3DG composites are directly fabricated into a free standing sensing electrode for electrochemical detection of hydrogen peroxide (H{sub 2}O{sub 2}) in phosphate buffered solutions. Various techniques equipments including scanning electron microscopy, X-ray diffraction, and Raman spectroscopy are used to characterize the morphology and structure of the as-prepared composite. The electrochemical experiments reveal the AgNPs-3DG based biosensor exhibits fast amperometric sensing, low detection limitation, wide linear responding range, and perfect selectivity for non-enzyme H{sub 2}O{sub 2} detection, indicating the well synergistic effect of Ag NPs high electrocatalytic activity and 3DG high conductivity and large surface area.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Production of Carbon Nanomaterials and Sorbents from Domestic U.S. Coal (Final Report)

The main goal of this project was to produce high-value carbon nanomaterials and carbon sorbents from domestic coal resources in a cost-effective manner. Four types of domestic coal samples were processed through a combination of deashing, devolatilization, oxidation, reduction, and activation treatments to produce graphene oxide (GO), reduced graphene oxide (RGO), and activated carbon (AC). The precursors and developed materials were extensively characterized by various methods to investigate the impact of the coal feedstock type on the yield and quality of each product. A commercial graphite-based GO sample was included in the experimental work as the baseline material for comparison with the coal-based materials developed in this work. The performed work also included a technoeconomic analysis and cost estimation for a plant processing 20 tons/day coal, a market evaluation for the graphene materials, and a technology gap analysis. A simple process by concentrated nitric acid oxidation is used to oxidize coal precursors for the production of GO. Fine oxidized coal particles that were separated from larger oxidized coal particles had significantly higher oxygen contents and were identified as coal-based GO samples. Coarse oxidized coal particles were used as precursors for production of AC. Based on the Raman spectroscopy results, coal-based GO samples exhibited G and D bands similar to those of graphite-based GO samples. X-ray photoelectron spectroscopy revealed that coal-based GO samples had surface oxygen contents of ~26-35% that were higher than the oxygen contents of graphite-based GO samples. Larger particles of oxidized coal samples were activated under different conditions to produce high surface area functionalized AC. Prepared materials had surface areas exceeding 1,500 m 2 /g and pore volumes more than 1 cm 3 /g with different pore size distributions. Reduced graphene oxide samples were prepared by thermal reduction of both coal-based and graphite-based GO samples at 170-2800 ºC. Coal-based and graphite-based RGO samples exhibited similar carbon contents, Raman spectra, and XRD profiles. Heat treatment above 1500 ºC shifted RGO to synthetic graphite. Among anthracite, bituminous, subbituminous, and lignite coals tested, anthracite was the best precursor to produce carbon nanomaterials exhibiting properties similar to those of graphite-based materials. Anthracite-based carbon nanomaterials also had the highest production yields. Technoeconomic analysis estimated the production cost of GO and RGO for anthracite-based samples at about 2,600 and 4,200 $/ton, respectively, which is about two orders of magnitude lower than the current estimated price of graphite-based materials. Several gaps to further develop the proposed technology were identified and discussed that include process and equipment optimization, process integration, need for additional bench- and pilot-scale experiments, and other items to reduce the scale up risk. Market analysis reports suggested a compound annual growth rate of 40% for graphene and related materials. Short-term applications include composites, inks, and coatings. However, energy storage applications appear to be the dominant potential long-term applications. Different applications of coal-based GO and RGO need to be explored and clear metrics and standards for each application need to be developed.

01 COAL, LIGNITE, AND PEAT↗
NASA NTRS1980

The planar multijunction cell - A new solar cell for earth and space

A new family of high-voltage solar cells, called the planar multijunction (PMJ) cell is being developed. The new cells combine the attractive features of planar cells with conventional or interdigitated back contacts and the vertical multijunction (VMJ) solar cell. The PMJ solar cell is internally divided into many voltage-generating regions, called unit cells, which are internally connected in series. The key to obtaining reasonable performance from this device was the separation of top surface field regions over each active unit cell area. Using existing solar cell fabricating methods, output voltages in excess of 20 volts per linear centimeter are possible. Analysis of the new device is complex, and numerous geometries are being studied which should provide substantial benefits in both normal sunlight usage as well as with concentrators.

Evans, J. C., Jr.↗
NASA NTRS1986

New measurements of photospheric magnetic fields in late-type stars and emerging trends

The magnetic fields of late-type stars are measured using the method of Saar et al. (1986). The method includes radiative transfer effects and compensation for line blending; the photospheric magnetic field parameters are derived by comparing observed and theoretical line profiles using an LTE code that includes line saturation and full Zeeman pattern. The preliminary mean active region magnetic field strengths (B) and surface area coverages for 20 stars are discussed. It is observed that there is a trend of increasing B towards the cooler dwarfs stars, and the linear correlation between B and the equipartition value of the magnetic field strength suggests that the photospheric gas pressure determines the photospheric magnetic field strengths. A tendency toward larger filling factors at larger stellar angular velocities is also detected.

Saar, S. H.↗
NASA NTRS2011

Fischer-Tropsch Catalyst for Aviation Fuel Production

As the oil supply declines, there is a greater need for cleaner alternative fuels. There will undoubtedly be a shift from crude oil to non-petroleum sources as a feedstock for aviation (and other transportation) fuels. The Fischer-Tropsch process uses a gas mixture of carbon monoxide and hydrogen which is converted into various liquid hydrocarbons; this versatile gas-to-liquid technology produces a complex product stream of paraffins, olefins, and oxygenated compounds such as alcohols and aldehydes. The Fischer-Tropsch process can produce a cleaner diesel oil fraction with a high cetane number (typically above 70) without any sulfur and aromatic compounds. It is most commonly catalyzed by cobalt supported on alumina, silica, or titania or unsupported alloyed iron powders. Cobalt is typically used more often than iron, in that cobalt is a longer-active catalyst, has lower water-gas shift activity, and lower yield of modified products. Promoters are valuable in improving Fischer-Tropsch catalyst as they can increase cobalt oxide dispersion, enhance the reduction of cobalt oxide to the active metal phase, stabilize a high metal surface area, and improve mechanical properties. Our goal is to build up the specificity of the Fischer-Tropsch catalyst while adding less-costly transition metals as promoters; the more common promoters used in Fischer-Tropsch synthesis are rhenium, platinum, and ruthenium. In this report we will describe our preliminary efforts to design and produce catalyst materials to achieve our goal of preferentially producing C8 to C18 paraffin compounds in the NASA Glenn Research Center Gas-To-Liquid processing plant. Efforts at NASA Glenn Research Center for producing green fuels using non-petroleum feedstocks support both the Sub-sonic Fixed Wing program of Fundamental Aeronautics and the In Situ Resource Utilization program of the Exploration Technology Development and Demonstration program.

deLaRee, Ana B.↗
NASA NTRS2012

Fischer-Tropsch Catalyst for Aviation Fuel Production

As the oil supply declines, there is a greater need for cleaner alternative fuels. There will undoubtedly be a shift from crude oil to nonpetroleum sources as a feedstock for aviation (and other transportation) fuels. The Fischer-Tropsch process uses a gas mixture of carbon monoxide and hydrogen which is converted into various liquid hydrocarbons; this versatile gas-to-liquid technology produces a complex product stream of paraffins, olefins, and oxygenated compounds such as alcohols and aldehydes. The Fischer-Tropsch process can produce a cleaner diesel oil fraction with a high cetane number (typically above 70) without any sulfur and aromatic compounds. It is most commonly catalyzed by cobalt supported on alumina, silica, or titania or unsupported alloyed iron powders. Cobalt is typically used more often than iron, in that cobalt is a longer-active catalyst, has lower water-gas shift activity, and lower yield of modified products. Promoters are valuable in improving Fischer-Tropsch catalyst as they can increase cobalt oxide dispersion, enhance the reduction of cobalt oxide to the active metal phase, stabilize a high metal surface area, and improve mechanical properties. Our goal is to build up the specificity of the Fischer-Tropsch catalyst while adding less-costly transition metals as promoters; the more common promoters used in Fischer-Tropsch synthesis are rhenium, platinum, and ruthenium. In this report we will describe our preliminary efforts to design and produce catalyst materials to achieve our goal of preferentially producing C8 to C18 paraffin compounds in the NASA Glenn Research Center Gas-To-Liquid processing plant. Efforts at NASA Glenn Research Center for producing green fuels using non-petroleum feedstocks support both the Sub-sonic Fixed Wing program of Fundamental Aeronautics and the In Situ Resource Utilization program of the Exploration Technology Development and Demonstration program.

DeLaRee, Ana B.↗
DOE OSTI2020

Challenges and Practical Solutions for Conducting Structural MARSSIM Surveys in Elevated Radon Environments - 20413

The Multi-Agency Radiation Survey and Site Investigation Manual (MARSSIM) [1] provides comprehensive guidance for the development and implementation of radiological surveys conducted to demonstrate compliance with a dose- or risk-based cleanup goal during final status survey. The MARSSIM methodology follows an integrated strategy combining direct measurements and sampling to assess uniform residual contamination, and scanning surveys to identify localized areas of elevated activity. Building surveys assessing residual surface contamination present unique challenges from reliance on field measurements that may be subject to less than ideal environmental conditions. Additionally, limited characterization and excessive conservatism incorporated into the conceptual site model may result in derived concentration guideline levels (DCGL) and, as a consequence of relatively inefficient field instrumentation, corresponding attributable count rates generally comparable to background. The presence of elevated ambient radon concentrations and associated progeny deposition both exacerbate these intrinsic survey challenges and introduce a series of technical, logistic, and administrative obstacles that can wreak havoc on the statistical legitimacy of each component of the MARSSIM process. Short-lived radon progeny including polonium-218, lead-214, bismuth-214, and polonium-214 produce excessive alpha and beta radiation that may decrease instrument sensitivity through an increase in background count rates, and, at worst, may result in incorrect survey unit failure through the simulation of residual surface activity. Aside from the obvious solution of exhaustive radon mitigation, the primary objectives are to distinguish between radon progeny deposition and actual surface activity, and collect sufficient defensible data. The following is a technical discussion of the consequences of performing building MARSSIM surveys in the presence of elevated ambient radon atmospheres, conceptual examples, and an overview of practical strategies to minimize the effects of radon interference while collecting sufficient defensible data to complete the survey. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2015

Oxygen Reduction Reaction Measurements on Platinum Electrocatalysts Utilizing Rotating Disk Electrode Technique: I. Impact of Impurities, Measurement Protocols and Applied Corrections

The rotating disk electrode (RDE) technique is being extensively used as a screening tool to estimate the activity of novel PEMFC electrocatalysts synthesized in lab-scale (mg) quantities. Discrepancies in measured activity attributable to glassware and electrolyte impurity levels, as well as conditioning, protocols and corrections are prevalent in the literature. Moreover, the electrochemical response to a broad spectrum of commercially sourced perchloric acid and the effect of acid molarity on impurity levels and solution resistance were also assessed. Our findings reveal that an area specific activity (SA) exceeding 2.0 mA/cm 2 (20 mV/s, 25°C, 100 kPa, 0.1 M HClO 4 ) for polished poly-Pt is an indicator of impurity levels that do not impede the accurate measurement of the ORR activity of Pt based catalysts. After exploring various conditioning protocols to approach maximum utilization of the electrochemical area (ECA) and peak ORR activity without introducing catalyst degradation, an investigation of measurement protocols for ECA and ORR activity was conducted. Down-selected protocols were based on the criteria of reproducibility, duration of experiments, impurity effects and magnitude of pseudo-capacitive background correction. In sum, statistical reproducibility of ORR activity for poly-Pt and Pt supported on high surface area carbon was demonstrated.

14 SOLAR ENERGY↗
DOE OSTI2016

A highly active and stable IrO x /SrIrO 3 catalyst for the oxygen evolution reaction

Oxygen electrochemistry plays a key role in renewable energy technologies such as fuel cells and electrolyzers, but the slow kinetics of the oxygen evolution reaction (OER) limit the performance and commercialization of such devices. Here we report an iridium oxide/strontium iridium oxide (IrO x /SrIrO 3 ) catalyst formed during electrochemical testing by strontium leaching from surface layers of thin films of SrIrO 3 . This catalyst has demonstrated specific activity at 10 milliamps per square centimeter of oxide catalyst (OER current normalized to catalyst surface area), with only 270 to 290 millivolts of overpotential for 30 hours of continuous testing in acidic electrolyte. Density functional theory calculations suggest the formation of highly active surface layers during strontium leaching with IrO 3 or anatase IrO 2 motifs. The IrO x /SrIrO 3 catalyst outperforms known IrO x and ruthenium oxide (RuO x ) systems, the only other OER catalysts that have reasonable activity in acidic electrolyte.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗