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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

ToF-SIMS characterization of glyoxal surface oxidation products by hydrogen peroxide: A comparison between dry and liquid samples

As one of the simplest volatile organic compounds (VOCs), glyoxal and its oxidation products were considered to be important precursors to aqueous secondary organic aerosol (aqSOA) formation. Herein, we analyzed products from glyoxal oxidation by hydrogen peroxide in dry and liquid samples using time-of-flight secondary ion mass spectrometry (ToF-SIMS). ToF-SIMS spectra and spectral principal component analysis (PCA) were used to investigate surface oxidation products. Dry samples were prepared on clean silicon wafers. Liquid samples consisting of glyoxal and hydrogen peroxide (H2O2) were introduced to a vacuum compatible microfluidic reactor prior to UV illumination or dark aging followed by in situ liquid SIMS analysis. A number of reaction products were observed in both dry and liquid samples; different oligomers and carboxylic acids could be formed depending on reaction conditions. In addition, hydrolyzed products were observed in the liquid samples, but not in the dry samples. Although dry samples reveal some products of the aqueous process, they are not fully representative as results from those of the aqueous samples. Our findings suggest that the ability to characterize the liquid surface reaction products provides more realistic information of the reaction products associated with aqSOA formation in the atmosphere. Meanwhile, the high mass resolution spectra from the dry sample SIMS measurement are helpful to identify oxidation products in the liquid samples.

, Aqueous Secondary Organic Aerosol, Sample Prepar↗
DOE OSTI2020

Exhaustive Product Analysis of Three Benzene Discharges by Microwave Spectroscopy

Using chirped and cavity microwave spectroscopies, automated double resonance, new high-speed fitting and deep learning algorithms, and large databases of computed structures, the discharge products of benzene alone, or in combination with molecular oxygen or nitrogen, have been exhaustively characterized between 6.5 and 26 GHz. In total, more than 3300 spectral features were observed; 89% of these, accounting for 97% of the total intensity, have now been assigned to 152 distinct chemical species and 60 of their variants (i.e., isotopic species and vibrationally excited states). Roughly 50 of the products are entirely new or poorly characterized at high resolution, including many heavier by mass than the precursor benzene. These findings provide direct evidence for a rich architecture of two- and three-dimensional carbon and indicate that benzene growth, particularly the formation of ring–chain molecules, occurs facilely under our experimental conditions. The present analysis also illustrates the utility of microwave spectroscopy as a precision tool for complex mixture analysis, irrespective of whether the rotational spectrum of a product species is known a priori or not. From this large quantity of data, for example, it is possible to determine with confidence the relative abundances of different product masses, but more importantly the relative abundances of different isomers with the same mass. We review the complementary nature of this type of analysis to traditional mass spectrometry.

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

Influence of Oxygen Uptake on Pitch Carbon Fiber

Carbon fiber precursor materials, such as polyacrylonitrile, pitch, and cellulose/rayon, require thermal stabilization to maintain structural integrity during conversion into carbon fiber. Thermal stabilization mitigates undesirable decomposition and liquification of the fibers during the carbonization process. Generally, the thermal stabilization of mesophase pitch consists of the attachment of oxygen-containing functional groups onto the polymeric structure. In this study, the oxidation of mesophase pitch precursor fibers at various weight percentage increases (1, 3.5, 5, 7.5 wt%) and temperatures (260, 280, 290 °C) using in situ differential scanning calorimetry and thermogravimetric analysis is investigated. The results are analyzed to determine the effect of temperature and weight percentage increase on the stabilization process of the fibers, and the fibers are subsequently carbonized and tested for tensile mechanical performance. Finally, the findings provide insight into the relationship between stabilization conditions, fiber microstructure, and mechanical properties of the resulting carbon fibers.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Upregulated expression of Nogo-A and NgR in an experimental model of focal microgyria regulates the migration, proliferation and self-renewal of subventricular zone neural progenitors

Nogo-A and its receptor (NgR) were first described as myelin-associated inhibitors of neuronal regeneration in response to injury. In recent years, knowledge about the important role of the Nogo-A protein in several neuronal pathologies has grown considerably. Here, we employed a neonatal cortex freeze-lesion (NFL) model in neonatal rats and measured the expression of Nogo-A and NgR in the resulting cerebrocortical microdysgenesis 5–75 days after freezing injury. We observed marked upregulation of Nogo-A and NgR in protein levels. Furthermore, the migration of neural precursor cells (NPCs) derived from the subventricular zone (SVZ) toward the sits of injury was perturbed by treatment of NgR antagonist peptide NEP1-40. In vitro analysis showed that the knockdown of NgR by lentivirus-delivered siRNA promoted in axonal regeneration and SVZ-derived neural stem cell/progenitor cell (SVZ-NPCs) adhesion and migration, findings which were similar to the effects of NEP1-40. Taken together, our results indicate an important role for NgR in regulating the physiological processes of SVZ-NPCs. The observation of upregulated Nogo-A/NgR in lesion sites in the NFL model suggest that the effects of the perturbed Nogo-A are a key feature during the development and/or the progression of cortical malformation. - Highlights: • NFL model is an accurate experimental reproduction of focal microgyria of FCD. • The increase of the Nogo-A Levels occurs in response to freeze-induced focal lesioning. • Nogo-A/NgR may play a critical role for in the pathologic progression of FCD. • Nogo-A is associated with the migration, proliferation and self-renewal of SVZ-NPCs.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Further engineering of R. toruloides for the production of terpenes from lignocellulosic biomass

Abstract Background Mitigation of climate change requires that new routes for the production of fuels and chemicals be as oil-independent as possible. The microbial conversion of lignocellulosic feedstocks into terpene-based biofuels and bioproducts represents one such route. This work builds upon previous demonstrations that the single-celled carotenogenic basidiomycete, Rhodosporidium toruloides , is a promising host for the production of terpenes from lignocellulosic hydrolysates. Results This study focuses on the optimization of production of the monoterpene 1,8-cineole and the sesquiterpene α-bisabolene in R. toruloides . The α-bisabolene titer attained in R. toruloides was found to be proportional to the copy number of the bisabolene synthase (BIS) expression cassette, which in turn influenced the expression level of several native mevalonate pathway genes. The addition of more copies of BIS under a stronger promoter resulted in production of α-bisabolene at 2.2 g/L from lignocellulosic hydrolysate in a 2-L fermenter. Production of 1,8-cineole was found to be limited by availability of the precursor geranylgeranyl pyrophosphate (GPP) and expression of an appropriate GPP synthase increased the monoterpene titer fourfold to 143 mg/L at bench scale. Targeted mevalonate pathway metabolite analysis suggested that 3-hydroxy-3-methyl-glutaryl-coenzyme A reductase (HMGR), mevalonate kinase (MK) and phosphomevalonate kinase (PMK) may be pathway bottlenecks are were therefore selected as targets for overexpression. Expression of HMGR, MK, and PMK orthologs and growth in an optimized lignocellulosic hydrolysate medium increased the 1,8-cineole titer an additional tenfold to 1.4 g/L. Expression of the same mevalonate pathway genes did not have as large an impact on α-bisabolene production, although the final titer was higher at 2.6 g/L. Furthermore, mevalonate pathway intermediates accumulated in the mevalonate-engineered strains, suggesting room for further improvement. Conclusions This work brings R. toruloides closer to being able to make industrially relevant quantities of terpene from lignocellulosic biomass.

09 BIOMASS FUELS↗
NASA NTRS1995

Airborne measurements of NO, NO2, and NO(sub y) as related to NASA's TRACE-A field program

The Georgia Tech group's effort on NASA's GTE program and TRACE-A field mission primarily involved analysis and interpretation of the measurement data base obtained during the TRACE-A field campaign. These investigations focused on the distribution of ozone and ozone precursors over the south Atlantic and nearby continental regions of Africa and South Africa. The Transport and Atmospheric Chemistry near the Equator-Atlantic (TRACE-A) Mission was designed with the goal of investigating tropospheric trace gas distributions, sources, and photochemical state over the southern Atlantic. Major scientific issues related to N(x)O(y) tropospheric chemistry addressed in this program included: (1) what controls the tropospheric ozone budget over the southern Atlantic? (2) What are the spatial distributions of CO, CO2, NO, NO2, NO(sub y), O3, NMHC, H2O3, etc. over the southern Atlantic? (3) How does long range transport of long-lived NO(y) compounds affect the more reactive NO(x) budget in southern Atlantic troposphere?

Bradshaw, John↗
NASA NTRS2006

Should We Enhance the Observing Systems or Improve Coordination Among the Operating Agencies: What is Needed the Most for Security--A Philosophical Discussion

As an integrated observing strategy, the concept of sensorweb for Earth observations is appealing in many aspects. For instance, by increasing the spatial and temporal coverage of observations from space and other vantage points, one can eventually aid in increasing the accuracy of the atmospheric models which are precursor to hurricane track prediction, volcanic eruption forecast, and trajectory path of transcontinental transport of dust, harmful nuclear and chemical plumes. In reality, there is little analysis available in terms of benefits, costs and optimized set of sensors needed to make these necessary observations. This is a complex problem that must be carefully studied and balanced over many boundaries such as science, defense, early warning, security, and surveillance. Simplistically, the sensorweb concept from the technological point of view alone has a great appeal in the defense, early warning and security applications. In fact, it can be relatively less expensive in per unit cost as opposed to building and deploying it for the scientific use. However, overall observing approach should not be singled out and aligned somewhat orthogonally to serve a particular need. On the other hand, the sensorweb should be designed and deployed to serve multiple subject areas and customers simultaneously; and can behave as directed measuring systems for both science and operational entities. Sensorweb can be designed to act as expert systems, and/or also provide a dedicated integrated surveillance network. Today, there is no system in the world that is fully integrated in terms of reporting timely multiple hazards warnings, computing the loss of life and property damage estimates, and is also designed to cater to everyone's needs. It is not an easier problem to undertake and more so is not practically solvable. At this time due to some recent events in the world, the scientific community, social scientists, and operational agencies are more cognizant and getting together to address such colossal problems. Increasing our knowledge of the home planet, via amplified set of observations, is certainly a right step in a right direction. Furthermore, this is a pre-requisite in understanding multiple hazard phenomenas. This paper examines various sensorweb options and observing architectures that can be useful specifically in addressing some of these complex issues. The ultimate goal is to serve the society by providing potential natural hazards information to the decision makers in the most expeditious manner so they can prepare themselves to mitigate potential risks to human life, livestock and property.

Habib, Shahid↗
NASA NTRS2006

Applying Advanced and Existing Sensors in Dealing with Potential Natural Disasters

As an integrated observing strategy, the concept of sensorweb for Earth observations is appealing in many aspects. For instance, by increasing the spatial and temporal coverage of observations from space and other vantage points, one can eventually aid in increasing the accuracy of the atmospheric models which are precursor to hurricane track prediction, volcanic eruption forecast, and trajectory path of transcontinental transport of dust, harmful nuclear and chemical plumes. In reality, there is little analysis available in terms of benefits, costs and optimized set of sensors needed to make these necessary observations. This is a complex problem that must be carefully studied and balanced over many boundaries such as science, defense, early warning, security, and surveillance. Simplistically, the sensorweb concept from the technological point of view alone has a great appeal in the defense, early warning and security applications. In fact, it can be relatively less expensive in per unit cost as opposed to building and deploying it for the scientific use. However, overall observing approach should not be singled out and aligned somewhat orthogonally to serve a particular need. On the other hand, the sensorweb should be designed and deployed to serve multiple subject areas and customers simultaneously; and can behave as directed measuring systems for both science and operational entities. Sensorweb can be designed to act as expert systems, and/or also provide a dedicated integrated surveillance network. Today, there is no system in the world that is fully integrated in terms of reporting timely multiple hazards warnings, computing the loss of life and property damage estimates, and is also designed to cater to everyone s needs. It is not an easier problem to undertake and more so is not practically solvable. At this time due to some recent events in the world, the scientific community, social scientists, and operational agencies are more cognizant and getting together to address such colossal problems. Increasing our knowledge of the home planet, via amplified set of observations, is certainly a right step in a right direction. Furthermore, this is a prerequisite in understanding multiple hazard phenomena's. This paper examines various sensorweb options and observing architectures that can be useful specifically in addressing some of these complex issues. The ultimate goal is to serve the society by providing potential natural hazards information to the decision makers in the most expeditious manner so they can prepare themselves to mitigate potential risks to human life, livestock and property.

Habib, Shahid↗
NASA NTRS2006

Acquiring Comprehensive Observations using an Integrated Sensorweb for Early Warning

As an integrated observing strategy, the concept of sensorweb for Earth observations is appealing in many aspects. For instance, by increasing the spatial and temporal coverage of observations from space and other vantage points, one can eventually aid in increasing the accuracy of the atmospheric models which are precursor to hurricane track prediction, volcanic eruption forecast, and trajectory path of transcontinental transport of dust, harmful nuclear and chemical plumes. In reality, there is little analysis'available in terms of benefits, costs and optimized set of sensors needed to make these necessary observations. This is a complex problem that must be carefully studied and balanced over many boundaries such as science, defense, early warning security, and surveillance. Simplistically, the sensorweb concept from the technological point of view alone has a great appeal in the defense, early warning and security applications. In fact, it can be relatively less expensive in per unit cost as opposed to building and deploying it for the scientific use. However, overall observing approach should not be singled out and aligned somewhat . orthogonally to serve a particular need. On the other hand, the sensorweb should be designed and deployed to serve multiple subject areas and customers simultaneously; and can behave as directed measuring systems for both science and operational entities. Sensorweb can be designed to act as expert systems, and/or also provide a dedicated integrated surveillance network. Today, there is no system in the world that is fully integrated in terms of reporting timely multiple hazards warnings, computing the lass of life and property damage estimates, and is also designed to cater to everyone's needs. It is not an easier problem to undertake and more so is not practically solvable. At this time due to some recent events in the world, the scientific community, social scientists, and operational agencies are more cognizant and getting together to address such colossal problems. Increasing our knowledge of the home planet, via amplified set of observations, is certainly a right step in a right direction. Furthermore, this is a pre-requisite in understanding multiple hazard phenomena's. This paper examines various sensorweb options and observing architectures that can be useful specifically in addressing some of these complex issues. The ultimate goal is to serve the society by providing potential natural hazards information to the decision makers in the most expeditious manner so they can prepare themselves to mitigate potential risks to human life, livestock and property.

Habib, Shahid↗
NASA NTRS2006

Acquiring Comprehensive Observations using an integrated Sensorweb for Early Warning

As an integrated observing strategy, the concept of sensorweb for Earth observations is appealing in many aspects. For instance, by increasing the spatial and temporal coverage of observations from space and other vantage points, one can eventually aid in increasing the accuracy of the atmospheric models which are precursor to hurricane track prediction, volcanic eruption forecast, and trajectory path of transcontinental transport of dust, harmful nuclear and chemical plumes. In reality, there is little analysis'available in terms of benefits, costs and optimized set of sensors needed to make these necessary observations. This is a complex problem that must be carefully studied and balanced over many boundaries such as science, defense, early warning, security, and surveillance. Simplistically, the sensorweb concept from the technological point of view alone has a great appeal in the defense, early warning and security applications. In fact, it can be relatively less expensive in per unit cost as opposed to building and deploying it for the scientific use. However, overall observing approach should not be singled out and aligned somewhat orthogonally to serve a particular need. On the other hand, the sensorweb should be designed and deployed to serve multiple subject areas and customers simultaneously; and can behave as directed measuring systems for both science and operational entities. Sensorweb can be designed to act as expert systems, and/or also provide a dedicated integrated surveillance network. Today, there is no system in the world that is fully integrated in terms of reporting timely multiple hazards warnings, computing the loss of life and property damage estimates, and is also designed to cater to everyone's needs. It is not an easier problem to undertake and more so is not practically solvable. At this time due to some recent events in the world, the scientific community, social scientists, and operational agencies are more cognizant and getting together to address such colossal problems. Increasing our knowledge of the home planet, via amplified set of observations, is certainly a right step in a right direction. Furthermore, this is a pre-requisite in understanding multiple hazard phenomena's. This paper examines various sensorweb options and observing architectures that can be useful specifically in addressing some of these complex issues. The ultimate goal is to serve the society by providing potential natural hazards information to the decision makers in the most expeditious manner so they can prepare themselves to mitigate potential risks to human life, livestock and property.

Habib, Shahid↗
DOE OSTI2018

Electrosynthesis of Ti{sub 5}Si{sub 3}, Ti{sub 5}Si{sub 3}/TiC, and Ti{sub 5}Si{sub 3}/Ti{sub 3}SiC{sub 2} from Ti-Bearing Blast Furnace Slag in Molten CaCl{sub 2}

Ti{sub 5}Si{sub 3}, Ti{sub 5}Si{sub 3}/TiC, and Ti{sub 5}Si{sub 3}/Ti{sub 3}SiC{sub 2} have been electrochemically synthesized from the Ti-bearing blast furnace slag/TiO{sub 2} and/or C mixture precursors at a cell voltage of 3.8 V and 1223 K to 1273 K (950 °C to 1000 °C) in molten CaCl{sub 2}. The pressed porous mixture pellets were used as the cathode, and a solid oxide oxygen-ion-conducting membrane (SOM)-based anode was used as the anode. The phase composition and morphologies of the cathodic products were systematically characterized. The final products possess a porous nodular microstructure due to the interconnection of particles. The variations of impurity elements, i.e., Ca, Mg, and Al, have been analyzed, and the result shows that Ca and Mg can be almost completely removed; however, Al cannot be easily removed from the pellet due to the formation of Ti-Al alloys during the electroreduction process. The electroreduction process has also been investigated by the layer-depended phase composition analysis of the dipped/partially reduced pellets to understand the detailed reaction process. The results indicate that the electroreduction process of the Ti-bearing blast furnace slag/TiO{sub 2} and/or C mixture precursors can be typically divided into four periods, i.e., (i) the decomposition of initial Ca(Mg,Al)(Si,Al){sub 2}O{sub 6}, (ii) the reduction of Ti/Si-containing intermediate phases, (iii) the removal of impurity elements, and (iv) the formation of Ti{sub 5}Si{sub 3}, TiC, and Ti{sub 3}SiC{sub 2}. It is suggested that the SOM-based anode process has great potential to be used for the direct and facile preparation of Ti alloys and composites from cheap Ti-containing ores.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Data for High Yield Production of 3-Hydroxypropionic Acid Using Issatchenkia orientalis

Biomanufacturing provides a more sustainable alternative to fossil-based chemical manufacturing. 3-Hydroxypropionic acid (3HP) is a top Department of Energy value-added chemical and precursor to bioplastics, yet cost-effective microbial production remains elusive. Here, we establish the acid-tolerant yeast Issatchenkia orientalis as a robust host for low-pH 3HP biosynthesis. Genome-scale modeling identifies the β-alanine pathway as optimal, offering the highest theoretical yield and lowest oxygen requirement. Thermodynamic analysis confirms its favorability under acidic conditions. Using sequence similarity network analysis, we discover highly active aspartate 1-decarboxylase (PAND), β-alanine-pyruvate aminotransferase (BAPAT), and 3HP dehydrogenase (YDFG), which significantly improve the pathway efficiency. Next, to further elevate the production, pathway optimization through multi-copy PAND integration, byproduct elimination (knockouts of pyruvate decarboxylase and glycerol-3-phosphate dehydrogenase), and reinforcement of aspartate flux by overexpression of pyruvate carboxylase and aspartate amino transferase improves the titer to 29 g/L in shake flasks. Fed-batch fermentation at pH 4 with low-cost corn steep liquor medium further increases the production to 92 g/L with 0.7 g/g yield and 0.55 g/L/h productivity. Techno-economic analysis indicates that such performance could potentially enable a financially viable process for sustainable acrylic acid production. This work establishes I. orientalis as a next-generation platform for cost-effective 3HP production and paves the way toward industrial commercialization.

Bioproducts↗
NASA NTRS2004

Analysis of Electrical Characteristics of Thin Film Photovoltaic Cells

Solar energy is the most abundant form of energy in many terrestrial and extraterrestrial environments. Often in extraterrestrial environments sunlight is the only readily available form of energy. Thus the ability to efficiently harness solar energy is one of the ultimate goals in the design of space power systems. The essential component that converts solar energy into electrical energy in a solar energy based power system is the photovoltaic cell. Traditionally, photovoltaic cells are based on a single crystal silicon absorber. While silicon is a well understood technology and yields high efficiency, there are inherent disadvantages to using single crystal materials. The requirements of weight, large planar surfaces, and high manufacturing costs make large silicon cells prohibitively expensive for use in certain applications. Because of silicon s disadvantages, there is considerable ongoing research into alternative photovoltaic technologies. In particular, thin film photovoltaic technologies exhibit a promising future in space power systems. While they are less mature than silicon, the better radiation hardness, reduced weight, ease of manufacturing, low material cost, and the ability to use virtually any exposed surface as a substrate makes thin film technologies very attractive for space applications. The research group lead by Dr. Hepp has spent several years researching copper indium disulfide as an absorber material for use in thin film photovoltaic cells. While the group has succeeded in developing a single source precursor for CuInS2 as well as a unique method of aerosol assisted chemical vapor deposition, the resulting cells have not achieved adequate efficiencies. While efficiencies of 11 % have been demonstrated with CuInS2 based cells, the cells produced by this group have shown efficiencies of approximately 1 %. Thus, current research efforts are turning towards the analysis of the individual layers of these cells, as well as the junctions between them, to determine the cause of the poor yields. As a student of electrical engineering with some material science background, my role in this research is to develop techniques for analyzing the electrical characteristics of the CuInS2 cells. My first task was to design a shadow mask to be used to place molybdenum contacts under a layer of CuInS;! in order to analyze the contact resistance between the materials. In addition, I have also analyzed evaporated aluminum top contacts and have tested various methods of increasing their thicknesses in order to decrease series resistance. More recently I have worked with other members of the research group in reviving a vertical cold-wall reactor for experimentation with CuInS2 quantum dots. As part of that project, I have improved the design for a variable frequency and pulse width square wave generator to be used in driving the precursor injection process. My task throughout the remainder of my tenure is to continue to analyze and develop tools for the analysis of electrical properties of the CuInS2 cells with the ultimate goal of discovering ways to improve the efficiency of our photovoltaic cells. Traditionally, photovoltaic cells are based on a single crystal silicon absorber. While The research group lead by Dr. Hepp has spent several years researching copper indium

Kasick, Michael P.↗
DOE OSTI2025

Development of a robust damage analysis scheme at the National Ignition Facility

The onset of laser-induced damage in optical materials is a limiting factor in the design and operation of most high-energy laser systems. As such, significant effort has been dedicated to developing laser damage testing protocols and procedures to inform laser system design and operating limits. These tests typically rely on multiple laser exposures for statistical validation. Historically, small beam single fluence (N / 1) or ramped fluence (R / 1) tests have been used to quantify the “laser-induced damage threshold” of a material. However, due to various distributions in damage precursor populations, the laser fluence at which damage occurs for a given sample varies with beam size and is therefore better described as the onset of observed damage for that testing geometry. In conclusion, we document the development of irradiation, measurement, and analysis methods for damage testing resulting in damage initiation density as a function of incident fluence or ρ(ϕ) which is suitable for both small and large beam area testing and more conducive to extrapolating from one to the other.

Beam diameter↗
DOE OSTI2015

Targeted Single-Site MOF Node Modification: Trivalent Metal Loading via Atomic Layer Deposition

Postsynthetic functionalization of metal organic frameworks (MOFs) enables the controlled, high-density incorporation of new atoms on a crystallographically precise framework. Leveraging the broad palette of known atomic layer deposition (ALD) chemistries, ALD in MOFs (AIM) is one such targeted approach to construct diverse, highly functional, few-atom clusters. We here demonstrate the saturating reaction of trimethylindium (InMe3) with the node hydroxyls and ligated water of NU-1000, which takes place without significant loss of MOF crystallinity or internal surface area. We computationally identify the elementary steps by which trimethylated trivalent metal compounds (ALD precursors) react with this Zr-based MOF node to generate a uniform and well characterized new surface layer on the node itself, and we predict a final structure that is fully consistent with experimental X-ray pair distribution function (PDF) analysis. We further demonstrate tunable metal loading through controlled number density of the reactive handles (-OH and -OH2) achieved through node dehydration at elevated temperatures.

atomic layer deposition in MOF↗
DOE OSTI2015

Preparation of meta-stable phases of barium titanate by Sol-hydrothermal method

Two low-cost chemical methods of sol–gel and the hydrothermal process have been strategically combined to fabricate barium titanate (BaTiO{sub 3}) nanopowders. This method was tested for various synthesis temperatures (100 °C to 250 °C) employing barium dichloride (BaCl{sub 2}) and titanium tetrachloride (TiCl{sub 4}) as precursors and sodium hydroxide (NaOH) as mineralizer for synthesis of BaTiO{sub 3} nanopowders. The as-prepared BaTiO{sub 3} powders were investigated for structural characteristics using x-ray diffraction (XRD), scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The overall analysis indicates that the hydrothermal conditions create a gentle environment to promote the formation of crystalline phase directly from amorphous phase at the very low processing temperatures investigated. XRD analysis showed phase transitions from cubic - tetragonal - orthorhombic - rhombohedral with increasing synthesis temperature and calculated grain sizes were 34 – 38 nm (using the Scherrer formula). SEM and TEM analysis verified that the BaTiO{sub 3} nanopowders synthesized by this method were spherical in shape and about 114 - 170 nm in size. The particle distribution in both SEM and TEM shows that as the reaction temperature increases from 100 °C to 250 °C, the particles agglomerate. Selective area electron diffraction (SAED) shows that the particles are crystalline in nature. The study shows that choosing suitable precursor and optimizing pressure and temperature; different meta-stable (ferroelectric) phases of undoped BaTiO{sub 3} nanopowders can be stabilized by the sol-hydrothermal method.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Studying Aerosol, Clouds, and Air Quality in the Coastal Urban Environment of Southeastern Texas

A multi-agency succession of field campaigns was conducted in southeastern Texas during July 2021 through October 2022 to study the complex interactions of aerosols, clouds and air pollution in the coastal urban environment. As part of the Tracking Aerosol Convection interactions Experiment (TRACER), the TRACER- Air Quality (TAQ) campaign the Experiment of Sea Breeze Convection, Aerosols, Precipitation and Environment (ESCAPE) and the Convective Cloud Urban Boundary Layer Experiment (CUBE), a combination of ground-based supersites and mobile laboratories, shipborne measurements and aircraft-based instrumentation were deployed. These diverse platforms collected high-resolution data to characterize the aerosol microphysics and chemistry, cloud and precipitation micro- and macro-physical properties, environmental thermodynamics and air quality-relevant constituents that are being used in follow-on analysis and modeling activities. We present the overall deployment setups, a summary of the campaign conditions and a sampling of early research results related to: (a) aerosol precursors in the urban environment, (b) influences of local meteorology on air pollution, (c) detailed observations of the sea breeze circulation, (d) retrieved supersaturation in convective updrafts, (e) characterizing the convective updraft lifecycle, (f) variability in lightning characteristics of convective storms and (g) urban influences on surface energy fluxes. The work concludes with discussion of future research activities highlighted by the TRACER model-intercomparison project to explore the representation of aerosol-convective interactions in high-resolution simulations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Graphene oxide precursor effects on 3D-printed carbon scaffolds

Manganese oxide (MnO 2 ), an earth-abundant material, is a promising component for energy storage devices, with uses in both pseudocapacitors and batteries. However, high MnO 2 loading often leads to reduced performance due to poor ion diffusion. 3D printing, particularly using the direct ink writing (DIW) technique, offers a solution by enabling the fabrication of electrodes with hierarchical porous structures and open channels that enhance mass transport and ion diffusion. Previous work demonstrated that 3D-printed graphene aerogels with MnO 2 coatings exhibited excellent electrochemical performance, even with thick electrodes, due to their optimized structure. Building on this work, the current study investigates the performance differences between aerogels developed using graphene oxide (GO) and reduced graphene oxide (rGO) as carbon precursors. Both materials were incorporated into thixotropic inks, 3D-printed into lattice structures, and carbonized. Despite expected similarities between the final graphene aerogel, rGO-based aerogels exhibited superior areal capacitance, compared to GO-based aerogels. These differences are attributed to the lower oxygen content and defect density of rGO, which influence its interaction with cellulose viscosifiers in the ink formulation. Brunauer–Emmett–Teller (BET) surface area analysis revealed that rGO aerogels exhibit a larger surface area and mesoporous structure, further enhancing their performance. When coated with MnO 2 , rGO-based aerogels maintained their superior capacitive behavior over GO-based aerogels. This study highlights the effect of carbon precursor on the end performance of graphene aerogels.

Materials science↗