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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Sucrose‐Based Dense, Pure, and Highly‐Crystalline Graphitic Materials for Lithium‐Ion Batteries

At present, most synthetic graphite materials commonly used as anode active ingredients in lithium-ion cells are produced by graphitization of petroleum cokes. The carbon footprint associated with synthetic graphite production is significant. Thus, bio-derived and cheap precursors, such as saccharides, would be an attractive alternative for the sustainable production of graphitic carbons. However, they are non-graphitizing at temperatures as high as 3000 °C, preserving the curved, fullerene-like structure of graphene layers and microporosity. Consequently, many lithium ions are consumed during the formation of solid electrolyte interphase films and passivated in the nanovoids. Here, a method for the production of pure, crystalline, graphitic materials based on sucrose disposed of microporosity is presented, which also works with a variety of saccharides and other organic precursors of hard carbons—generally considered incapable of such transformation. This process employs catalytic graphitization by Si particles at high temperatures. Finally, the electrochemical response of such derived sucrose-based graphite in Li-ion half-cells demonstrated its feasibility to serve as an anode active material for rechargeable Li-ion batteries.

Si particles↗
NASA NTRS1990

Carbonate deposition during the late Proterozoic Era: an example from Spitsbergen

Carbonate sediments reflect the physico-chemical and biological circumstances of their formation; thus, features of limestones and dolomites may provide insights into both environmental and evolutionary change through geological time. The Upper Proterozoic (approx 800-700 Ma) Akademikerbreen Group, Spitsbergen, comprises 2000 m of carbonates, with only minor intercalations of quartz arenite and shale. Although Proterozoic carbonates are often seen as predominantly dolomitic, the Akademikerbreen Group is about 45 percent limestone. Stromatolites are conspicuous in outcrop but constitute only 25 percent of the total section. Micrites and coarser intraclastic carbonates derived mainly from micritric precursors comprise 60 percent of the group, while oolites make up the remaining 15 percent. Distinctive sedimentary features of the group include giant (up to 16 mm) ooids, very early diagenetic calcite nodules and cements, micrites containing subaqueous shrinkage cracks filled with equant microspar cement, and strong 13C enrichment in both carbonates and co-occurring organic matter. The principal features of Akademikerbreen carbonates are widely distributed in coeval successions. However, these rocks appear to differ from older limestones and dolomites in their relative abundance of grainstones and, perhaps, micrites, as well as their paucity of tufa-like laminates and columnar or coniform stromatolites that preserve petrographic evidence of in situ precipitation as a dominant means of carbonate accretion. Upper Proterozoic carbonates also differ from Paleozoic accumulations, but the transition is not abrupt. Most changes accompanying the Proterozoic/Phanerozoic transition can be interpreted in terms of the consequences rather than the causes of metazoan and metaphyte evolution, including the evolution of biomineralization. Carbonate sedimentology reinforces data from other sources which indicate the last 200 to 300 Ma of the Proterozoic Eon was a distinctive interval of Earth history.

NASA Discipline Number 52-30↗
DOE OSTI2023

Exploration of fibers produced from petroleum based-mesophase pitch and pet blends for carbon fiber production

Petroleum-derived mesophase pitch and polyethylene terephthalate (PET) were blended and melt-extruded to create precursor fibers. The raw blends, heat treated bulk materials, and fibers were all examined to determine compatibility between petroleum-derived mesophase pitch and PET. Thermal investigation of the raw blends showed the presence of both the pitch and PET in separate phases suggesting no interactions had occurred during mixing. Here, the heat-treated bulk material also showed multiple phases under polarized light while Fourier-transform infrared spectroscopy indicated that the two materials did not fully separate during extrusion. Elemental scans of the precursor fibers showed areas of high oxygen concentrations averaging 11.7% as compared to a 2% oxygen concentration across the majority of the cross-section. Tensile tests of the precursor fibers showed a decrease in average modulus as compared to pure pitch fibers; however, the depressed modulus of the blended fibers was found to be independent of the PET weight percentage. Fibers created from 5 wt.% PET had a strength value within 10% of pure pitch and a 200% increase in modulus and were therefore found to be the most promising for carbon fiber production. Pure pitch and the 5 wt.% PET fibers were stabilized and carbonized to 1000 °C. Both types of fibers were tensile tested to determine their strength and stiffness. Pure pitch carbon fibers maintained a higher strength while the carbon fibers produced from 5 wt.% PET possessed a stiffer modulus which can be attributed to their radial microstructure.

36 MATERIALS SCIENCE↗
NASA NTRS2013

Investigations of the Formation of Carbon Grains in Circumstellar Outflows

The study of formation and destruction processes of cosmic dust is essential to understand and to quantify the budget of extraterrestrial organic molecules. Although dust with all its components plays an important role in the evolution of interstellar chemistry and in the formation of organic molecules, little is known on the formation and destruction processes of carbonaceous dust. PAHs are important chemical building blocks of interstellar dust. They are detected in interplanetary dust particles and in meteoritic samples. Additionally, observational, laboratory, and theoretical studies have shown that PAHs, in their neutral and ionized forms, are an important, ubiquitous component of the interstellar medium. Also, the formation of PAHs from smaller molecules has not been extensively studied. Therefore, it is imperative that laboratory experiments be conducted to study the dynamic processes of carbon grain formation from PAH precursors. Studies of interstellar dust analogs formed from a variety of PAH and hydrocarbon precursors as well as species that include the atoms O, N, and S, have recently been performed in our laboratory under conditions that simulate interstellar and circumstellar environments. The species formed in the pulsed discharge nozzle (PDN) plasma source are detected and characterized with a high-sensitivity cavity ringdown spectrometer (CRDS) coupled to a Reflectron time-of-flight mass spectrometer (ReTOF-MS), thus providing both spectroscopic and ion mass information in-situ. We report the first set of measurements obtained in these experiments and identify the species present in the experiments and the ions that are formed in the plasma process. From these unique measurements, we derive information on the size and the structure of interstellar dust grain particles, the growth and the destruction processes of interstellar dust and the resulting budget of extraterrestrial organic molecules.

Grains↗
DOE OSTI2023

Optimizing dicyandiamide pretreatment conditions for enhanced structure and electronic properties of polymeric graphitic carbon nitride

Graphitic carbon nitride, a polymeric semiconductor, possesses a distinctive electronic band structure and exceptional chemical stability, making it a highly promising material for various catalytic applications such as electrocatalysis, photocatalysis, and photo-electrocatalysis. However, its practical applications remain limited due to its low active site density and poor electrical conductivity. In this study, to overcome such limitations, we have conducted a thorough investigation to explore the impact of dicyandiamide (DCDA) precursor pretreatment prior to thermal polymerization to graphitic carbon nitride. The DCDA precursor was subjected to various pretreatment methods including grinding using mortar and pestle, recrystallization through stirring or probe sonication after dissolving in deionized water, and freeze drying, prior to thermal polymerization at 550 °C for 2 hours. The structural and morphological properties of the catalysts prepared were compared and characterized by X-ray diffraction (XRD), attenuated total reflectance–Fourier transform infrared (ATR-IR) spectroscopy, scanning electron microscopy (SEM), transmission electron microscopy (TEM), and X-ray photoelectron spectroscopy (XPS) analysis while the electronic band gap properties were determined based on density functional theory (DFT) calculations for a set of crystalline systems having C/N ratios similar to those identified experimentally. In comparison to direct thermal polymerization, pretreated samples rendered the same product yield, diverse morphologies with flat or wrinkle structures, and reduced electrochemical resistance, making them suitable for use in various catalytic processes.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Characterization of textile-grade carbon fiber polypropylene composites

In this work, we consider low-cost carbon fiber produced with a textile-grade precursor. The objective of the study is to investigate textile-grade carbon-fiber-reinforced-polypropylene composites (TCF-PP) from compounded pellets for mechanical and thermal characterization. Four sets of pellets with 1%, 5%, 10%, and 15% reinforcement were manufactured using textile-grade carbon fiber (TCF) and polypropylene (PP) by twin-screw compounding. The addition of TCFs through gravimetric feeder directly in the extruder resulted in lower fiber content; however, side feeder has shown good potential. The pellets were further processed in extrusion compression molding to manufacture plaques. An increase in fiber loading has a negligible effect on fiber attrition as fiber length distribution variation between 1% and 15% reinforced pellets was very small. The addition of TCFs in PP showed a significant improvement in mechanical properties. The tensile strength and modulus of the composite were 26% and 161%, respectively, improved by the addition of 10 wt% TCF. Similar results were observed in the flexure test. However, the impact properties were reduced by 25.54% by the addition of 15% TCF.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Synthesizing Carbon‐Supported, High‐Loading, Ultra‐Small Pt 3 Ni Nanoparticles via Tuning the Surface Electrostatic Effect

Carbon‐supported nanoparticles (NPs) are widely used as catalysts in fuel cells and electrolyzers. While it is well known that NPs with smaller size and higher loading often lead to better catalytic activity, they remain challenging to synthesize due to the weak control over the surface properties of the support. Herein, a facile approach to synthesize carbon‐supported, high‐loading, and ultra‐small Pt 3 Ni NPs via applying thermal shock on strongly interacted carbon support with metal salt is reported. Specifically, sodium citrate is introduced into the precursor solution and substrate mixture, which induces strong electrostatic effect between metal salts and carbon particles that markedly improves precursor anchoring and dispersion, thereby achieving high particle loading as well as small size and distribution. As a proof‐of‐concept, the synthesis of Pt 3 Ni NPs supported on carbon black with particle size of 1.56 ± 0.36 nm at 30 wt% loading and 1.66 ± 0.56 nm at 40 wt% loading is reported, where the sizes are among the smallest while the loadings are among the highest in the literature. This approach can be readily extended to many compositions and substrates, with tunable particle size and loading, thereby substantially expanding the synthesis space for NP catalysts in various electrochemical applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Reaction of BCl 3 with H- and Cl-terminated Si(100) as a pathway for selective, monolayer doping through wet chemistry

The reaction of boron trichloride with the H and Cl-terminated Si(100) surfaces was investigated to understand the interaction of this molecule with the surface for designing wet-chemistry based silicon surface doping processes using a carbon- and oxygen-free precursor. The process was followed with X-ray photoelectron spectroscopy (XPS). Within the reaction conditions investigated, the reaction is highly effective on Cl-Si(100) for temperatures below 70°C, at which point both surfaces react with BCl$_3$. The XPS investigation followed the formation of a B 1s peak at 193.5 eV corresponding to (B-O)$_x$ species. Even the briefest exposure to ambient conditions lead to hydroxylation of surface borochloride species. However, the Si 2p signature at 102 eV allowed for a confirmation of the formation of a direct Si-B bond. Density functional theory was utilized to supplement the analysis and identify possible major surface species resulting from these reactions. This work provides a new pathway to obtain a functionalized silicon surface with a direct Si-B bond that can potentially be exploited as a means of selective, ultra-shallow, and supersaturated doping.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Investigating 3,4-bis(3-nitrofurazan-4-yl)furoxan detonation with a rapidly tuned density functional tight binding model

In this work, we describe a machine learning approach to rapidly tune density functional tight binding models for the description of detonation chemistry in organic molecular materials. Resulting models enable simulations on the several 10s of ps scales characteristic to these processes, with “quantum-accuracy.” We use this approach to investigate early shock chemistry in 3,4-bis(3-nitrofurazan-4-yl)furoxan, a hydrogen-free energetic material known to form onion-like nanocarbon particulates following detonation. We find that the ensuing chemistry is significantly characterized by the formation of large C x N y O z species, which are likely precursors to the experimentally observed carbon condensates. Beyond utility as a means of investigating detonation chemistry, the present approach can be used to generate quantum-based reference data for the development of full machine-learned interatomic potentials capable of simulation on even greater time and length scales, i.e., for applications where characteristic time scales exceed the reach of methods including Kohn–Sham density functional theory, which are commonly used for reference data generation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2007

Functionalization of carbon nanotubes

Method and system for functionalizing a collection of carbon nanotubes (CNTs). A selected precursor gas (e.g., H.sub.2 or F.sub.2 or C.sub.nH.sub.m) is irradiated to provide a cold plasma of selected target particles, such as atomic H or F, in a first chamber. The target particles are directed toward an array of CNTs located in a second chamber while suppressing transport of ultraviolet radiation to the second chamber. A CNT array is functionalized with the target particles, at or below room temperature, to a point of saturation, in an exposure time interval no longer than about 30 sec.

Khare, Bishun N.↗
NASA NTRS2007

Functionalization of Carbon Nanotubes

Method and system for functionalizing a collection of carbon nanotubes (CNTs). A selected precursor gas (e.g., H2, or F2, or CnHm) is irradiated to provide a cold plasma of selected target particles, such as atomic H or F, in a first chamber. The target particles are directed toward an array of CNTs located in a second chamber while suppressing transport of ultraviolet radiation to the second chamber. A CNT array is functionalized with the target particles, at or below room temperature, to a point of saturation, in an exposure time interval no longer than about 30 sec.

Khare, Bishun N.↗
NASA NTRS2009

Functionalization of Carbon Nanotubes

Method and system for functionalizing a collection of carbon nanotubes (CNTs). A selected precursor gas (e.g., H2 or F2 or CnHm) is irradiated to provide a cold plasma of selected target species particles, such as atomic H or F, in a first chamber. The target species particles are d irected toward an array of CNTs located in a second chamber while suppressing transport of ultraviolet radiation to the second chamber. A CNT array is functionalized with the target species particles, at or below room temperature, to a point of saturation, in an exposure time interval no longer than about 30 sec. *Discrimination against non-target species is provided by (i) use of a target species having a lifetime that is much greater than a lifetime of a non-target species and/or (2) use of an applied magnetic field to discriminate between charged particle trajectories for target species and for non-target species.

Khare, Bishun N.↗
NASA NTRS2010

Selective functionalization of carbon nanotubes based upon distance traveled

Method and system for functionalizing a collection of carbon nanotubes (CNTs). A selected precursor gas (e.g., H.sub.2 or NH.sub.3 or NF.sub.3 or F.sub.2 or CF.sub.4 or C.sub.nH.sub.m) is irradiated to provide a cold plasma of selected target particles, such as atomic H or F, in a first chamber. The target particles are directed toward an array of CNTs located in a second chamber while suppressing transport of ultraviolet radiation to the second chamber. A CNT array is functionalized with the target particles, at or below room temperature, to a point of saturation, in an exposure time interval no longer than about 30 sec. The predominant species that are deposited on the CNT array vary with the distance d measured along a path from the precursor gas to the CNT array; two or three different predominant species can be deposited on a CNT array for distances d=d1 and d=d2>d1 and d=d3>d2.

Khare, Bishun N.↗
DOE OSTI2023

Combined Algal Processing for the Synthesis of Liquid Oleofuels and Products (CAPSLOC) - WBS 1.3.4.204

Combined Algal Processing for the Synthesis of Liquid Oleofuels and Products (CAPSLOC) aims to develop a biorefinery concept that is composition-agnostic and enables economically, environmentally, and socially viable biofuel production by maximizing the value from each fraction. To achieve this, we have employed an iterative approach between R&D and TEA/LCA to establish process targets and quantify improvements in the minimum fuel selling price (MFSP), reduce carbon intensity, and support the state of technology (SOT). We have surveyed various methods for biomass pretreatment and successfully demonstrated pre-pilot scale pretreatment in batch mode. Using techniques such as lipid modification, fermentation, mild oxidative treatment (MOT), and carbonization, we have developed biofuel precursors and a range of value-added co-products. Our project has demonstrated significant improvements in key aspects of algae processing, particularly in pretreatment technologies suitable for variable composition, co-products available from lipid and extracted solid streams, conditioning and fermenting high-protein hydrolysates, and recovering nitrogen (N) and phosphorus (P) nutrients for recycling to cultivation ponds. The success of this project will support the commercialization of a sustainable microalgal biorefinery industry.

biofuel↗
NASA NTRS2002

Modeling of the HiPco process for carbon nanotube production. II. Reactor-scale analysis

The high-pressure carbon monoxide (HiPco) process, developed at Rice University, has been reported to produce single-walled carbon nanotubes from gas-phase reactions of iron carbonyl in carbon monoxide at high pressures (10-100 atm). Computational modeling is used here to develop an understanding of the HiPco process. A detailed kinetic model of the HiPco process that includes of the precursor, decomposition metal cluster formation and growth, and carbon nanotube growth was developed in the previous article (Part I). Decomposition of precursor molecules is necessary to initiate metal cluster formation. The metal clusters serve as catalysts for carbon nanotube growth. The diameter of metal clusters and number of atoms in these clusters are some of the essential information for predicting carbon nanotube formation and growth, which is then modeled by the Boudouard reaction with metal catalysts. Based on the detailed model simulations, a reduced kinetic model was also developed in Part I for use in reactor-scale flowfield calculations. Here this reduced kinetic model is integrated with a two-dimensional axisymmetric reactor flow model to predict reactor performance. Carbon nanotube growth is examined with respect to several process variables (peripheral jet temperature, reactor pressure, and Fe(CO)5 concentration) with the use of the axisymmetric model, and the computed results are compared with existing experimental data. The model yields most of the qualitative trends observed in the experiments and helps to understanding the fundamental processes in HiPco carbon nanotube production.

Validation Studies↗
NASA NTRS1990

Geochemistry of Precambrian carbonates - 3-shelf seas and non-marine environments of the Archean

Samples from the Pangola and Ventersdorp Supergroups (Kaapvaal Craton, South Africa) and from the Fortescue and Hamersley Groups (Pilbara Block, Australia) were analyzed, using XRF, AAS, and isotope-analysis techniques to investigate the mineralogical, chemical, and isotopic features of these representatives of contemporary shelf carbonates (Pangola and Hamersley samples) and nonmarine carbonates (the Ventersdorp and Fortescue samples). Results show that, mineralogically, the shelf carbonates are almost exclusively dolostones, while the lacustrine facies are predominantly limestones. Geological, trace-element, and oxygen-isotope results of the shelf carbonates suggest that their original mineralogy may have been aragonite, and that the Pangola dolostones may represent a direct dolomitization product of this precursor. By contrast, the stabilization of the Hamersley carbonates may have involved an additional step of transformation of a metastable precursor into limestone.

Veizer, Jan↗
DOE OSTI2022

Continuous Production of Carbon-Supported and Surfactant-Free Pt-M (M=Fe, Co, Ni, and Cu) Nanocrystals for Catalyzing Oxygen Reduction

Scalable production of carbon-supported Pt-M (M=Co, Ni, and Fe) alloy nanocrystals is of great importance for their practical application as catalysts towards the oxygen reduction reaction (ORR), a process key to the operation of proton-exchange membrane fuel cells. Here we report the use of a fluidic device for the in situ nucleation and growth of Pt-M nanocrystals on a commercial carbon support in a continuous and scalable fashion. The use of dimethylformamide not only enables well dispersion of the carbon powders for the creation of a homogeneous reaction mixture but also helps reduce metal precursors for the heterogeneous nucleation and growth of nanocrystals on the carbon surface. The size, shape, and composition of the nanocrystals can all be tuned by changing the metal precursors added into the reaction mixture, resulting in Pt-M nanocrystals uniformly distributed across the surface of the carbon support. Among the nanocrystals, the carbon-supported Pt-Co nanocrystals show the highest ORR specific and mass activities at 0.9 V, demonstrating 11.4- and 8.8-fold enhancements over the state-of-the-art commercial Pt/C catalyst.

Electrochemistry↗
DOE OSTI2025

Current activated reactive ultrafast joining (CARUJ) of silicon carbide

In this work we propose and demonstrate a novel approach for rapid fabrication of ceramic-ceramic joint assemblies, using sintered Silicon Carbide (SiC) as an initial example. Current Activated Reactive Ultrafast Joining (CARUJ) utilizes resistive heating of carbon-based materials to apply localized heat at or around the joint zone at heating rates of 101– 103 °C/min. CARUJ is used to fabricate SiC-SiC joints with a Si-SiC interface using minimal pressure (1–2 MPa) at time scales considerably shorter (several minutes opposed to hours) than conventional approaches for similar systems. The reaction of an interfacial precursor based on elemental silicon and carbon leads to in-situ SiC formation to produce a continuous and dense bond in a single step. Measured average joint strengths of roughly 15 MPa are achieved when tested in single lap offset (SLO) compressive shear. Optional additions of refractory metals such as molybdenum can be utilized to introduce secondary inclusions such as MoSi 2 within the joint interface. We further demonstrate SiC-SiC joining using Active Brazing Alloys (ABA) and proof of concept joining of tubular geometries. The localized and rapid heat application realizes a versatile material joining technique that could be extended for joining components at the plant site.

36 MATERIALS SCIENCE↗