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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 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

A chemical bath deposition route to facet-controlled Ag{sub 3}PO{sub 4} thin films with improved visible light photocatalytic activity

A facile, economic, and reproducible chemical bath deposition (CBD) method is developed for the fabrication of facet-controlled Ag{sub 3}PO{sub 4} thin films with enhanced visible light photocatalytic activity. The fine-control of bath temperature, precursor, complexing agent, substrate, and solution pH is fairly crucial in preparing the facet-selective thin film of Ag{sub 3}PO{sub 4} nanocrystal. The change of precursor from silver nitrate to silver acetate makes possible the tailoring of the crystal shape of Ag{sub 3}PO{sub 4} from cube to rhombic dodecahedron and also the bandgap tuning of the deposited films. The control of [Ag{sup +}]/[phosphate] ratio enables to maximize the loading amount of Ag{sub 3}PO{sub 4} crystals per the unit area of the deposited film. All the fabricated Ag{sub 3}PO{sub 4} thin films show high photocatalytic activity for visible light-induced degradation of organic molecules, which can be optimized by tailoring the crystal shape of the deposited crystals. This CBD method is also useful in preparing the facet-controlled hybrid film of Ag{sub 3}PO{sub 4}–ZnO photocatalyst. The present study clearly demonstrates the usefulness of the present CBD method for fabricating facet-controlled thin films of metal oxosalt and its nanohybrid. - Highlights: • The crystal facet of Ag{sub 3}PO{sub 4} films can be tuned by chemical bath deposition. • The crystal shape of Ag{sub 3}PO{sub 4} is tailorable from cube to rhombic dodecahedron. • Facet-tuned Ag{sub 3}PO{sub 4} film shows enhanced visible light photocatalyst activity.

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

A facile in-situ etching route to hollow C@SnO2 nanocomposites and their gas-sensing properties

Highlights: • Hollow C@SnO{sub 2} nanostructure has been designed via a facile in-situ etching technique.. • The C@SnO{sub 2} products possess a high surface are and a hollow carbon core. • The growth of SnO{sub 2} nanosheets and the removal of silica template can be synchronously performed. • The C@SnO{sub 2} products manifest highly sensitive and selective to n-butanol as gas-sensing sensor. - Abstract: A novel hollow carbon@SnO{sub 2} nanocomposite has been developed via a high cost-effective and facile in-situ etching technique. The as-prepared C@SnO{sub 2} product has a high surface area of about 115 m{sup 2} g{sup −1} and a hollow carbon core, where a lot of SnO{sub 2} nanosheets grow onto the carbon shell. Particularly, the silica core as the sacrificial template can be fully removed by hydrofluoric acid (HF) byproduct during the reaction process. Moreover, the deposition of SnO{sub 2} sheets and the removal of the silica template can be synchronously performed by a simple one-step process. When applied as the gas-sensing material, the C@SnO{sub 2} product manifests highly sensitive and selective to n-butanol. The large surface area, hollow nanostructure and the perfect combination of SnO{sub 2} nanosheets and carbon layer contribute to the enhanced gas-sensing performances. The method described in our work can also be employed to design other hollow metal oxides@carbon hybrids for energy storage and catalysis.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Coordination Polymer Electrocatalysts Enable Efficient CO‐to‐Acetate Conversion

Abstract Upgrading carbon dioxide/monoxide to multi‐carbon C 2+ products using renewable electricity offers one route to more sustainable fuel and chemical production. One of the most appealing products is acetate, the profitable electrosynthesis of which demands a catalyst with higher efficiency. Here, a coordination polymer (CP) catalyst is reported that consists of Cu(I) and benzimidazole units linked via Cu(I)‐imidazole coordination bonds, which enables selective reduction of CO to acetate with a 61% Faradaic efficiency at −0.59 volts versus the reversible hydrogen electrode at a current density of 400 mA cm −2 in flow cells. The catalyst is integrated in a cation exchange membrane‐based membrane electrode assembly that enables stable acetate electrosynthesis for 190 h, while achieving direct collection of concentrated acetate (3.3 molar) from the cathodic liquid stream, an average single‐pass utilization of 50% toward CO‐to‐acetate conversion, and an average acetate full‐cell energy efficiency of 15% at a current density of 250 mA cm −2 .

Luo, Mingchuan↗
DOE OSTI2016

Experimental and computational investigation of acetic acid deoxygenation over oxophilic molybdenum carbide: Surface chemistry and active site identity

Ex situ catalytic fast pyrolysis (CFP) is a promising route for producing fungible biofuels; however, this process requires bifunctional catalysts that favor C–O bond cleavage, activate hydrogen at near atmospheric pressure and high temperature (350–500 °C), and are stable under high-steam, low hydrogen-to-carbon environments. Recently, early transition-metal carbides have been reported to selectively cleave C–O bonds of alcohols, aldehydes, and oxygenated aromatics, yet there is limited understanding of the metal carbide surface chemistry under reaction conditions and the identity of the active sites for deoxygenation. In this study, we evaluated molybdenum carbide (Mo 2 C) for the deoxygenation of acetic acid, an abundant component of biomass pyrolysis vapors, under ex situ CFP conditions, and we probed the Mo 2 C surface chemistry, identity of the active sites, and deoxygenation pathways using in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS), X-ray photoelectron spectroscopy (XPS), and density functional theory (DFT) calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Modification of the Decontamination Facility at the Kruemmel NPP - 13451

In February 2009, Siempelkamp Nukleartechnik GmbH was awarded the contract for the design, manufacture, delivery and construction of a new Decontamination Facility in the controlled area for Kruemmel NPP. The new decontamination equipment has been installed according to the state of art of Kruemmel NPP. The existing space required the following modification, retrofitting and reconstruction works: - Demounting of the existing installation: to create space for the new facility it was necessary to dismantle the old facility. The concrete walls and ceilings were cut into sizes of no more than 400 kg for ease of handling. This enabled decontamination so largest possible amount could be released for recycling. All steel parts were cut into sizes fitting for iron-barred boxes, respecting the requirement to render the parts decontaminable and releasable. - Reconstructing a decontamination facility: Reconstruction of a decontamination box with separate air lock as access area for the decontamination of components and assemblies was conducted using pressurized air with abrasives (glass beads or steel shots). The walls were equipped with sound protection, the inner walls were welded gap-free to prevent the emergence of interstices and were equipped with changeable wear and tear curtains. Abrasive processing unit positioned underneath the dry blasting box adjacent to the two discharge hoppers. A switch has been installed for the separation of the glass beads and the steel shot. The glass beads are directed into a 200 l drum for the disposal. The steel shot was cleaned using a separator. The cleaned steel shot was routed via transportation devices to the storage container, making it available for further blasting operations. A decontamination box with separate air lock as access area for the decontamination of components and assemblies using high pressure water technology was provided by new construction. Water pressures between 160 bar and 800 bar can be selected. The inner walls are welded gap-free and all rough edges are rounded off. All wetted parts are steel grade 1.4301 or higher. In an extension to the high pressure water decontamination box, 2 ultrasonic ponds and one washing station for small components as provide by new construction. A long pond with 3.25 m length for the decontamination of large components (e.g. turbine blades, pump rotors, driving rods) was installed. For the handling heavy components, a 2 t crane was installed. New construction of a mechanical effluent treatment facility including oil separator was connected to the existing effluent storage tank provided by the customer. One exhaust air filtration system is provided for each decontamination box, with the following requirements. The exhaust air is sent back to the room (recirculated air system). Dry blasting box including raw separator with dust collection in 200 l drum, filter for suspended particles; High pressure water decontamination box and wet area with water separator, pre-separator, filter for suspended particles. Installation of a steel platform at building height +12.85 above the decontamination boxes + 8.50 m for the erection of the high pressure water facilities, the recirculating air filter system, the air compressor and the respiratory air supply unit. The aforementioned components are placed on the steel platform and have been encased in a sound-lowering and accessible manner. New construction of the entire E and C technology for the TU system including modification of the supply lines from the switch gear. All devices are to be operated automatically. Dry blasting box, high pressure water decontamination box and wet area are designed to guarantee a unitary 'exterior view' of the decontamination facility. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Effect of Heat Treatment on Microstructure and Mechanical Property of 316L Stainless Steel Produced by Laser Powder Bed Fusion

The advanced non-light water reactor designs (Gen IV reactors), including molten salt/ very high temperature/ sodium-cooled and lead-cooled fast reactors, typically operate at higher temperatures and more extreme radiation conditions than light water reactors. An intrinsic part of the deployment and progress of Gen IV reactor designs is selecting the most suitable structural material for a specific application. Additive manufacturing (AM), a fairly new process of making physical, three-dimensional objects from a computer design file, is going to completely change the way of design, build and certify nuclear systems. It offers a range of opportunities to produce complex geometries from existing materials, offers new routes for processing of previously difficult to process materials, allows for design of new high-performance materials, and finally facilitates hybridization of dissimilar materials. This emerging technology has successfully produced cars, wind turbine blade molds and even live cells. It could also open up big opportunities for the nuclear industry to quickly deploy technologies at a fraction of the cost. So far, AM techniques have been preliminarily applied in the field of nuclear reactors, including the classical parts such as the pressure vessel of a small reactor with 508-III steel, the bottom nozzle of a fuel assembly with 304L steel, the fuel cladding with zirconium alloy and the integrated impeller of a pump and the multi-channel valve body with 316L steel [6,7]. The AM applications for operating nuclear reactors started in auxiliary plant components and have slowly migrated to metallic reactors and core components, but many of these are not safety critical components. Although many parts used for nuclear reactors have been fabricated by AM techniques, practical applications in engineering are still a long way off due to the uncertainty factors focused on the processing, material properties, analysis methods and application standards, which feeds the safety and life-cycle of the nuclear reactor. Due to rapid, repeated heating and cooling during production, a high dislocation density was present in the AM material. This microstructure feature is unstable at elevated temperature while high temperature is one of the typical operation environments for nuclear reactors. Thus, it is important to understand the thermal effect on the microstructure of AM material. The objectives of this study are to investigate the effect of heat treatment on the microstructure and mechanical properties of 316L stainless steel produced by laser powder bed fusion additive manufacturing, and to determine an appropriate heat treatment practice that will be applied to the lightweight AM lattice-structured material with the same chemistry. The heat treatment study consisted of annealing the samples at a temperature range of 800 to 1200 oC with a 50 oC increment for different times (1-24 hours), followed by vacuum or air cooling. Microstructural characterization was carried out by Scanning Electron Microscope (SEM). Grain size and crystallographic orientation were investigated by Electron Backscatter Diffraction (EBSD). Vickers hardness tests with a 0.5 kg load were employed to determine the hardness of samples after different heat treatments. After heat treatment, the random crystallographic orientation was preserved, and the volume fraction of high-angle grain boundaries (grain boundary misorientation =15 oC) remained the same. The dislocation density decreased with annealing temperature due to recovery. The fine subgrain structures in the as-printed specimen were quite stable up to 1200 oC. Minimal recrystallization was observed up to 1200 oC. Recrystallization initiated only after 8.5 hours at 1200 oC. The SEM images did not show obvious dependence of microstructure on cooling rate. The hardness of the specimens decreased with increasing annealing temperature as a result of the decrease in dislocation density. It is interesting to note that the AM material showed very similar hardness to the wrought material when annealing at similar temperature, although the microstructures are very different. Annealing at 1050 oC for 1 hour followed by air cooling was selected as the heat treatment procedure for the lattice designed lightweight AM 316L material.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Kinetic analysis of the interactions between calcium ferrite and coal char for chemical looping gasification applications: Identifying reduction routes and modes of oxygen transfer

Chemical Looping Gasification (CLG) is an emerging technology that shows promise for efficient coal gasification by eliminating the need for energy intensive gas separations to achieve a non-nitrogen diluted syngas stream. Oxygen from oxygen carriers, such as CaFe 2 O 4 , are used for coal gasification in place of conventionally produced gaseous oxygen from cryogenic separation of air. These oxygen carriers are unique for their ability to selectively oxidize coal to form syngas and show limited reactivity with syngas components (H 2 , CO). To gain a deeper understanding of how these unique oxygen carriers perform and to offer a first attempt at the reaction modeling of solid mediated interactions of this nature, this study was carried out to determine the kinetic parameters associated with the selective oxidation of coal derived char (Wyodak and Illinois #6) with a metal ferrite, CaFe 2 O 4 . Using thermogravimetric analysis (TGA) coupled with mass spectrometry, the selective oxygen release of metal ferrite in the presence of char by proximal contact was examined. The application of combinatory model fitting approaches was used to describe controlling resistances during oxygen release. A combination of the modified shrinking core model (SCM) with planar oxygen ion diffusion control and reaction order based models was used for kinetic parameter determination. CaFe 2 O 4 particle size plays a major role in the prevailing mode of oxygen release. Particle sizes on the order of 40–50 μm tend to favor first order kinetically controlled regimes independent of geometric and diffusion controls. The probability for oxygen ion diffusion controlling regimes increased when the particle size range of the oxygen carrier was increased up to 350 μm. Char type also impacted the prevalence of the controlling regime. Higher ranked chars react in a slower manner, limiting the gradient for oxygen ion release from the oxygen carrier. Activation energies determined for this process range from 120–200kJ/mol and oxygen ion diffusion coefficients are on the order of 10-8 cm 2 /s. It is suggested that oxygen ion movement is regulated by lattice diffusion out of partially reduced phases (Ca 2 Fe 2 O 5 ) and through reduced outer layers composed of CaO and Fe. The controlled movement of oxygen ions influences the rate of carbon oxidation in the char and therefore the selectivity towards partial oxidation products, which are desirable in CLG applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2010

Fabrication and Modification of Nanoporous Silicon Particles

Silicon-based nanoporous particles as biodegradable drug carriers are advantageous in permeation, controlled release, and targeting. The use of biodegradable nanoporous silicon and silicon dioxide, with proper surface treatments, allows sustained drug release within the target site over a period of days, or even weeks, due to selective surface coating. A variety of surface treatment protocols are available for silicon-based particles to be stabilized, functionalized, or modified as required. Coated polyethylene glycol (PEG) chains showed the effective depression of both plasma protein adsorption and cell attachment to the modified surfaces, as well as the advantage of long circulating. Porous silicon particles are micromachined by lithography. Compared to the synthesis route of the nanomaterials, the advantages include: (1) the capability to make different shapes, not only spherical particles but also square, rectangular, or ellipse cross sections, etc.; (2) the capability for very precise dimension control; (3) the capacity for porosity and pore profile control; and (4) allowance of complex surface modification. The particle patterns as small as 60 nm can be fabricated using the state-of-the-art photolithography. The pores in silicon can be fabricated by exposing the silicon in an HF/ethanol solution and then subjecting the pores to an electrical current. The size and shape of the pores inside silicon can be adjusted by the doping of the silicon, electrical current application, the composition of the electrolyte solution, and etching time. The surface of the silicon particles can be modified by many means to provide targeted delivery and on-site permanence for extended release. Multiple active agents can be co-loaded into the particles. Because the surface modification of particles can be done on wafers before the mechanical release, asymmetrical surface modification is feasible. Starting from silicon wafers, a treatment, such as KOH dipping or reactive ion etching (RIE), may be applied to make the surface rough. This helps remove the nucleation layer. A protective layer is then deposited on the wafer. The protective layer, such as silicon nitride film or photoresist film, protects the wafer from electrochemical etching in an HF-based solution. A lithography technique is applied to pattern the particles onto the protective film. The undesired area of the protective film is removed, and the protective film on the back side of the wafer is also removed. Then the pattern is exposed to HF/surfactant solution, and a larger DC electrical current is applied to the wafers for a selected time. This step removes the nucleation layer. Then a DC current is applied to generate the nanopores. Next, a large electrical current is applied to generate a release layer. The particles are mechanically suspended in the solvent and collected by filtration or centrifuge.

Ferrari, Mauro↗
DOE OSTI2017

Importance of lateral flux and its percolation depth on organic carbon export in Arctic tundra soil: Implications from a soil leaching experiment

Temperature rise in the Arctic is causing deepening of active layers and resulting in the mobilization of deep permafrost dissolved organic matter (DOM). However, the mechanisms of DOM mobilization from Arctic soils, especially upper soil horizons which are drained most frequently through a year, are poorly understood. Here, we conducted a short-term leaching experiment on surface and deep organic active layer soils, from the Yukon River basin, to examine the effects of DOM transport on bulk and molecular characteristics. We report our data showed a net release of DOM from surface soils equal to an average of 5% of soil carbon. Conversely, deep soils percolated with surface leachates retained up to 27% of bulk DOM-while releasing fluorescent components (up to 107%), indicating selective release of aromatic components (e.g. lignin, tannin), while retaining non-chromophoric components, as supported by spectrofluorometric and ultra high resolution mass spectroscopic techniques. Our findings highlight the importance of the lateral flux of DOM on ecosystem carbon balance as well as processing of DOM transport through organic active layer soils en route to rivers and streams. This work also suggests the potential role of leachate export as an important mechanism of C losses from Arctic soils, in comparison with the more traditional pathway from soil to atmosphere in a warming Arctic.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Engineering Yarrowia lipolytica for poly-3-hydroxybutyrate production

In this study, strains of Yarrowia lipolytica were engineered to express the poly-3-hydroxybutyrate (PHB) biosynthetic pathway. The genes for β-ketothiolase, NADPH-dependent acetoacetyl-CoA reductase, and PHB synthase were cloned and inserted into the chromosome of Y. lipolytica. In shake flasks, the engineered strain accumulated PHB to 1.50 and 3.84% of cell dry weight in complex medium supplemented with glucose and acetate as carbon source, respectively. In fed-batch fermentation using acetate as sole carbon source, 7.35 g/l PHB (10.2% of cell dry weight) was produced. Selection of Y. lipolytica as host for PHB synthesis was motivated by the fact that this organism is a good lipids producer, which suggests robust acetyl-CoA supply also the precursor of the PHB pathway. Lastly, acetic acid could be supplied by gas fermentation, anaerobic digestion, and other low-cost supply route.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

CRISPR-mediated multigene integration enables Shikimate pathway refactoring for enhanced 2-phenylethanol biosynthesis in Kluyveromyces marxianus

Background: 2-phenylethanol (2-PE) is a rose-scented flavor and fragrance compound that is used in food, beverages, and personal care products. Compatibility with gasoline also makes it a potential biofuel or fuel additive. A biochemical process converting glucose or other fermentable sugars to 2-PE can potentially provide a more sustainable and economical production route than current methods that use chemical synthesis and/or isolation from plant material. Results: We work toward this goal by engineering the Shikimate and Ehrlich pathways in the stress-tolerant yeast Kluyveromyces marxianus. First, we develop a multigene integration tool that uses CRISPR-Cas9 induced breaks on the genome as a selection for the one-step integration of an insert that encodes one, two, or three gene expression cassettes. Integration of a 5-kbp insert containing three overexpression cassettes successfully occurs with an efficiency of 51 ± 9% at the ABZ1 locus and was used to create a library of K. marxianus CBS 6556 strains with refactored Shikimate pathway genes. The 3 3 -factorial library includes all combinations of KmARO4, KmARO7, and KmPHA2, each driven by three different promoters that span a wide expression range. Analysis of the refactored pathway library reveals that high expression of the tyrosine-deregulated KmARO4 K221L and native KmPHA2, with the medium expression of feedback insensitive KmARO7 G141S , results in the highest increase in 2-PE biosynthesis, producing 684 ± 73 mg/L. Ehrlich pathway engineering by overexpression of KmARO10 and disruption of KmEAT1 further increases 2-PE production to 766 ± 6 mg/L. The best strain achieves 1943 ± 63 mg/L 2-PE after 120 h fed-batch operation in shake flask cultures. Conclusions: The CRISPR-mediated multigene integration system expands the genome-editing toolset for K. marxianus, a promising multi-stress tolerant host for the biosynthesis of 2-PE and other aromatic compounds derived from the Shikimate pathway.

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

Mercury Recovery at Former Lithium Production Site at the Miramas in France - 18529

The former Lithium production facility located at Miramas in the South-East of France recently completed a 10-year program of process equipment removal, building demolition and soil remediation to recover mercury (Hg) that had been lost during operations at the site. After over 100 years ago chemical production, all production activities stopped in 2009, and immediately afterwards the clean-up project began. The main project focused on the demolition of all facilities and the decontamination of building materials and soil clean-up, with the goal of remediating the site for future industrial purposes. Prior to starting the decommissioning and clean-up work at the site a detailed site survey was conducted to identify the extent of the contamination of the site. After investigations into available technologies, the decision was made to install on-site treatment processes. This resulted in fewer residual environmental effects (trucking pollution, shipping containers, volume of materials, etc), a reduction in logistic complications, and, importantly, was cost effective compared to sending all untreated material to external processing facilities. This decision resulted in a need to optimize demolition waste management, while ensuring the highest clean-up and safety levels. A variety of treatment processes were investigated and compared and two technologies were finally selected and implemented. The first process was a 'thermal desorption unit (TDU),' which heated excavated soils and captured the vaporized mercury. The second was a washing process that was used to remove surface contamination. After the contaminated areas were excavated, materials were crushed, screened and sorted into different sizes, with each pile being routed to the appropriate process. The smaller-sized particles were treated in the TDU. A batch of around 12 MT was fed into a moisture evaporator and then into a mercury evaporator. The soils were then cooled, sampled to ensure no residual Hg contamination before being mixed with a binding agent, and returned to the excavation site. Larger materials with surface contamination were washed to remove the contamination. The liquid effluents were sent to a tank where the contaminated fines were removed, dried, pressed and sent for processing. If the washed, coarse materials failed to reach acceptable mercury levels, they were crushed again and sent to be treated in the TDU. The washing fluid was recycled for the next batch. (author)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2014

Electrocatalytic Oxidation of 5-Hydroxymethylfurfural to 2,5-furandicarboxylic Acid on Supported Au and Pd Bimetallic Nanoparticles

This research explores the potential-dependent electrocatalytic oxidation of 5-hydroxymethylfurfural (HMF) in alkaline media over supported Au and Pd nanoparticles and demonstrates the synergistic effects of bimetallic Pd–Au catalysts for the selective formation of 2,5-furandicarboxylic acid (FDCA). Results from electrolysis product analysis at various electrode potentials, along with cyclic voltammetry of HMF and its oxidation intermediates, revealed the unique catalytic properties of Pd and Au for competitive oxidation of alcohol and aldehyde side-groups present in HMF. Aldehyde oxidation was greatly favored over alcohol oxidation on the Au/C catalyst, which was very active for HMF oxidation to 5-hydroxymethyl-2-furancarboxylic acid (HFCA), however high electrode potentials were required for further oxidation of the alcohol group to FDCA. HMF oxidation on Pd/C followed two competitive routes to FDCA and the pathway was dependent on the electrode potential. Oxidation of aldehyde groups occurred much slower on Pd/C than on Au/C at low potentials, but was greatly enhanced at increased potentials or by alloying with Au. It was found that Pd–Au bimetallic catalysts achieved deeply oxidized products (FFCA and FDCA) at lower potentials than monometallic catalysts and the product distribution was dependent on the electrode potential and surface alloy composition. Bimetallic catalysts with 2:1 and 1:2 Pd–Au molar ratios (Pd 2 Au 1 /C and Pd 1 Au 2 /C) exhibited advantages of both single components with facile alcohol and aldehyde group oxidation, resulting in greatly improved HMF conversion rate and selectivity to fully oxidized FDCA.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Solvent effects on microstructures and properties of three-dimensional hierarchical TiO{sub 2} microsphere structures synthesized via solvothermal approach

One-step solvothermal method has been proved to be a simple and efficient route to synthesize three-dimensional (3D) hierarchical TiO{sub 2} microsphere structures, but discrepant properties of the solvent media had been claimed as the major factors determining microstructures and properties of the final products. In this study, several typical solvents, including alkane, aromatic hydrocarbons, halohydrocarbon, ketone, organic acid, mono- and dihydric alcohols, were selected to comprehensively investigate the effect of solvents on the morphology, crystal structure, specific surface area, porous property and light harvesting capability of the final products. According to the experimental results, a good interface separating titanium precursor with aqueous phase in the reaction solution, created by non-polar solvents, or polar solvents which are immiscible with titanium precursor, was the decisive factor for the formation of quasi-3D urchin-like TiO{sub 2} microspheres self-assembled from one-dimensional (1D) nanostructures, and concentrated H{sup +} induced by organic acid medium was also helpful. Meanwhile, without the liquid-liquid interface or extremely low solution pH, anatase TiO{sub 2} sphere structures with big specific surface area comprising of nanoparticles or nanosheets would be formed, and performed well in photodegradation of pollutants in water. - Graphical abstract: A good interface separating titanium precursor with aqueous phase is the determining factor to form 3D ordered TiO{sub 2} microspheres self-assembled by 1D nanostructures via solvothermal reaction. Display Omitted - Highlights: • Solvent property is important for the solvothermally synthesized TiO{sub 2} products. • Interface separating titanium precursor with aqueous phase is a determining factor. • Dielectric constant of solvents is also very important. • Low solution pH is helpful for the formation of rod-like building block structures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Discovery of chalcogenides structures and compositions using mixed fluxes

Advancements in many modern technologies rely on the continuous need for materials discovery. However, the design of synthesis routes leading to new and targeted solid-state materials requires understanding of reactivity patterns. Advances in synthesis science are necessary to increase efficiency and accelerate materials discovery. We present a highly effective methodology for the rational discovery of materials using high-temperature solutions or fluxes having tunable solubility. This methodology facilitates product selection by projecting the free-energy landscape into real synthetic variables: temperature and flux ratio. We demonstrate the effectiveness of this technique by synthesizing compounds in the chalcogenide system of A(Ba)-Cu-Q(O) (Q = S or Se; A = Na, K or Rb) using mixed AOH/AX (A = Li, Na, K or Rb; X = Cl or I) fluxes. We present 30 unreported compounds or compositions, including more than ten unique structural types, by systematically varying the temperature and flux ratios without requiring changing the proportions of starting materials. Additionally, we found that the structural dimensionality of the compounds decreases with increasing reactant solubility and temperature. This methodology serves as an effective general strategy for the rational discovery of inorganic solids.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Advanced electrode processing for lithium-ion battery manufacturing

Lithium-ion batteries (LIBs) need to be manufactured at speed and scale for their use in electric vehicles and devices. However, LIB electrode manufacturing via conventional wet slurry processing is energy-intensive and costly, challenging the goal to achieve sustainable, affordable and facile manufacturing of high-performance LIBs. Here, in this Review, we discuss advanced electrode processing routes (dry processing, radiation curing processing, advanced wet processing and 3D-printing processing) that could reduce energy usage and material waste. Maxwell-type dry processing is a scalable alternative to conventional processing and has relatively low manufacturing cost and energy consumption. Radiation curing processing could enable high-throughput manufacturing, but binder selection is limited to certain radiation curable chemistries. 3D-printing processing can produce electrodes with diverse architectures and improved rate performance, but scalability is yet to be demonstrated. 3D-printing processing is good for special applications where throughput and cost can be compromised for performance.

25 ENERGY STORAGE↗
NASA NTRS2000

Conceptual Design Study of a Closed Brayton Cycle Turbogenerator for Space Power Thermal-To-Electric Conversion System

A conceptual design study was completed for a 360 kW Helium-Xenon closed Brayton cycle turbogenerator. The selected configuration is comprised of a single-shaft gas turbine engine coupled directly to a high-speed generator. The engine turbomachinery includes a 2.5:1 pressure ratio compression system with an inlet corrected flow of 0.44 kg/sec. The single centrifugal stage impeller discharges into a scroll via a vaned diffuser. The scroll routes the air into the cold side sector of the recuperator. The hot gas exits a nuclear reactor radiator at 1300 K and enters the turbine via a single-vaned scroll. The hot gases are expanded through the turbine and then diffused before entering the hot side sector of the recuperator. The single shaft design is supported by air bearings. The high efficiency shaft mounted permanent magnet generator produces an output of 370 kW at a speed of 60,000 rpm. The total weight of the turbogenerator is estimated to be only 123 kg (less than 5% of the total power plant) and has a volume of approximately 0.11 cubic meters. This turbogenerator is a key element in achieving the 40 to 45% overall power plant thermal efficiency.

Hansen, Jeff L.↗