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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRS1996

An Experimental Study of Ignition Effects and Flame Growth Over a Thin Solid Fuel in Low-Speed Concurrent Flow Using Drop-Tower Facilities

An experimental study of ignition and flame growth over a thin solid fuel in oxidizer flow speeds from 0 to 10 cm/sec concurrent flow was performed. This study examined the differences between ignition using a resistively heated wire (woven in a sawtooth pattern over the leading edge of the fuel), and a straight resistively heated wire augmented by a chemical ignitor doped onto the leading edge of the fuel. Results showed that the chemical system yielded non-uniform ignition bursts, while the system using only the hotwire gave more uniform ignition. At speeds up to 2.5 cm/sec, the chemical system yielded non-uniform pyrolysis fronts, while the hotwire system gave more uniform pyrolysis fronts. At speeds of 5 cm/sec or greater, both systems gave uniform pyrolysis fronts. The chemically-ignited flames tended to become too dim to see faster than the hotwire-ignited flames, and the flame lengths were observed to be shorter (after the initial burst subsided) for the chemical system for all speeds. Flame and pyrolysis element velocities were measured. Temperature profiles for selected tests were measured using thermocouples at the fuel surface and in the gas phase. Comparisons between the flame element velocities and peak temperatures recorded in these tests with calculated spread rates and peak temperatures from a steady-state model are presented. Agreement was found to be within 20% for most flame elements for nominal velocities of 5 cm/sec and 7.5 cm/sec.

Pettegrew, Richard Dale↗
DOE OSTI2023

Nucleation of cubic boron nitride on boron-doped diamond via plasma enhanced chemical vapor deposition

Cubic boron nitride (c-BN), with a small 1.4% lattice mismatch with diamond, presents a heterostructure with multiple opportunities for electronic device applications. However, the formation of c-BN/diamond heterostructures has been limited by the tendency to form hexagonal BN at the interface. In this study, c-BN has been deposited on free standing polycrystalline and single crystal boron-doped diamond substrates via electron cyclotron resonance plasma enhanced chemical vapor deposition (ECR-PECVD), employing fluorine chemistry. In situ x-ray photoelectron spectroscopy (XPS) is used to characterize the nucleation and growth of boron nitride (BN) films as a function of hydrogen gas flow rates during deposition. The PECVD growth rate of BN was found to increase with increased hydrogen gas flow. In the absence of hydrogen gas flow, the BN layer was reduced in thickness or etched. The XPS results show that an excess of hydrogen gas significantly increases the percent of sp2 bonding, characteristic of hexagonal BN (h-BN), particularly during initial layer growth. Reducing the hydrogen flow, such that hydrogen gas is the limiting reactant, minimizes the sp2 bonding during the nucleation of BN. TEM results indicate the partial coverage of the diamond with thin epitaxial islands of c-BN. The limited hydrogen reaction is found to be a favorable growth environment for c-BN on boron-doped diamond.

Physics↗
DOE OSTI2024

Chemical changes from N-doped graphene and Metal-Organic Frameworks to N-G/MOF composites for improved electrocatalytic activity

Integrating N doped graphene (N G) with Metal Organic Frameworks (MOFs) enhances catalytic activity for oxygen reduction reaction (ORR), often exceeding both the performances of their precursors and, in some cases, even PGM based catalysts. However, the factors driving this improved catalytic activity in N G/MOF composites remain unexplored, particularly from the perspective of the chemical changes. To investigate the chemical changes in N G and MOF upon their integration and the implications of these changes on ORR catalytic activity, an N G/MOF was synthesized from N G with a MOF (ZIF 8) following a mechanochemical wet ball milling process. The N G, ZIF 8, and N G/MOF samples were examined for changes in elemental composition, chemical state of carbon, different nitrogen and carbon bonds, and other chemical interactions. In the N G/MOF catalyst, compared to its N G and ZIF 8 precursors, the relative oxygen content increased, indicating the formation of additional oxygen containing groups. The C 1s peak shifted to a lower binding energy in N G/MOF, suggesting changes in the overall chemical or oxidation state of the carbon atoms. Besides, the increase in pyridinic N functional groups in N G/MOF points to the formation of additional active sites. Furthermore, the formation of C Zn bonds in N G/MOF suggests the probable emergence of single atom Zn sites, while the increase in C=O bonds points to the formation of carboxyl or carbonyl groups. These chemical changes could be linked to the enhanced electrocatalytic activity of the N G/MOF composite for ORR. In conclusion, this study may also be beneficial for other research focused on developing composite catalysts involving various N G and MOF materials.

25 ENERGY STORAGE↗
DOE OSTI2021

Effects of Sn substitution in SrRuO 3 epitaxial films

Epitaxial SrRu 1–x Sn x O 3 (0 ≤ x ≤ 1) thin films were deposited on SrTiO 3 (001) substrates by sequential two-target synthesis using pulsed laser deposition to achieve stable phases in this family of quaternary perovskites. The SrRu 1–x Sn x O 3 films exhibit a good crystalline quality, a sharp interface between film and substrate, and an atomically smooth surface. A gradual expansion of the c-axis lattice parameter was observed with Sn doping serving as a means to tune chemical pressure and magnetism. With an increase in Sn doping, the resistivity of the film increased, and the ferromagnetism decreased. These results illustrate use of lattice engineering, e.g., tuning of c-axis lattice parameter with chemical doping, to control electronic and magnetic properties of epitaxial thin films for applications in oxide electronics.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Oxygen redox activities governing high-voltage charging reversibility of Ni-rich layered cathodes

A schematic illustration indicative of the improved structural reversibility through stabilizing oxidized oxygen by Al doping. The chemical reactions and phase transitions at high voltages are generally considered to determine the electrochemical properties of high-voltage layered cathodes such as Ni-rich rhombohedral oxides. Even if significantly higher SOCs (states-of-charge) are utilized above the capability of transition metal redox (primarily Ni and Co), the effect of oxygen redox on Ni-rich rhombohedral oxides still looks mysterious thereby necessitating research that can clarify the relationship between redox reactions and phase transitions. Here, we performed a comprehensive and comparative study of the cationic and anionic redox reactions, as well as the structural evolution of a series of commercial Ni-rich layered oxides with and without Al doping. We combined the results from X-ray spectroscopy, operando electrochemical mass spectrometry, and neutron diffraction with electrochemical properties and thereby revealed the different oxygen redox activities associated with structural and electrochemical degradations. We reveal that Al doping suppresses the irreversible oxygen release but enhances the lattice oxygen oxidization. With this modulated oxygen redox activity, the Ni-rich layered oxides’ notorious H2–H3 structural phase transition becomes highly reversible. Our findings disentangle the different oxygen redox activities during high-voltage cycling and clarify the role of dopants in the Ni-rich layered oxides in terms of structural and electrochemical stability, shedding light on the future direction of optimizing layered cathode materials for safer high energy-density secondary batteries.

Lee, Gi-Hyeok↗
DOE OSTI2021

Effect of the sample work function on alkali metal dosing induced electronic structure change

Alkali metal dosing (AMD) has been widely used as a way to control doping without chemical substitution. This technique, in combination with angle resolved photoemission spectroscopy (ARPES), often provides an opportunity to observe unexpected phenomena. However, the amount of transferred charge and the corresponding change in the electronic structure vary significantly depending on the material. Here, we report study on the correlation between the sample work function and alkali metal induced electronic structure change for three iron-based superconductors: FeSe, Ba(Fe 0.94 Co 0.06 ) 2 As 2 and NaFeAs which share a similar Fermi surface topology. Electronic structure change upon monolayer of alkali metal dosing and the sample work function were measured by ARPES. In this work, our results show that the degree of electronic structure change is proportional to the difference between the work function of the sample and Mulliken's absolute electronegativity of the dosed alkali metal. This finding provides a possible way to estimate the AMD induced electronic structure change.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Thermal stability and coalescence dynamics of exsolved metal nanoparticles at charged perovskite surfaces

Exsolution reactions enable the synthesis of oxide-supported metal nanoparticles, which are desirable as catalysts in green energy conversion technologies. It is crucial to precisely tailor the nanoparticle characteristics to optimize the catalysts’ functionality, and to maintain the catalytic performance under operation conditions. We use chemical (co)-doping to modify the defect chemistry of exsolution-active perovskite oxides and examine its influence on the mass transfer kinetics of Ni dopants towards the oxide surface and on the subsequent coalescence behavior of the exsolved nanoparticles during a continuous thermal reduction treatment. Nanoparticles that exsolve at the surface of the acceptor-type fast-oxygen-ion-conductor SrTi 0.95 Ni 0.05 O 3–δ (STNi) show a high surface mobility leading to a very low thermal stability compared to nanoparticles that exsolve at the surface of donor-type SrTi 0.9 Nb 0.05 Ni 0.05 O 3–δ (STNNi). Our analysis indicates that the low thermal stability of exsolved nanoparticles at the acceptor-doped perovskite surface is linked to a high oxygen vacancy concentration at the nanoparticle-oxide interface. For catalysts that require fast oxygen exchange kinetics, exsolution synthesis routes in dry hydrogen conditions may hence lead to accelerated degradation, while humid reaction conditions may mitigate this failure mechanism.

25 ENERGY STORAGE↗
DOE OSTI2023

Recent progress in MnBi2 n Te3 n +1 intrinsic magnetic topological insulators: crystal growth, magnetism and chemical disorder

ABSTRACT The search for magnetic topological materials has been at the forefront of condensed matter research for their potential to host exotic states such as axion insulators, magnetic Weyl semimetals, Chern insulators, etc. To date, the MnBi2nTe3n+1 family is the only group of materials showcasing van der Waals-layered structures, intrinsic magnetism and non-trivial band topology without trivial bands at the Fermi level. The interplay between magnetism and band topology in this family has led to the proposal of various topological phenomena, including the quantum anomalous Hall effect, quantum spin Hall effect and quantum magnetoelectric effect. Among these, the quantum anomalous Hall effect has been experimentally observed at record-high temperatures, highlighting the unprecedented potential of this family of materials in fundamental science and technological innovation. In this paper, we provide a comprehensive review of the research progress in this intrinsic magnetic topological insulator family, with a focus on single-crystal growth, characterization of chemical disorder, manipulation of magnetism through chemical substitution and external pressure, and important questions that remain to be conclusively answered.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Evolution of charge correlations in the hole-doped kagome superconductor CsV 3−𝑥⁢ Ti 𝑥 ⁢Sb 5

The interplay between superconductivity and charge correlations in the kagome metal CsV 3⁢ Sb 5 can be tuned by external perturbations such as doping or pressure. Here we present a study of charge correlations and superconductivity upon hole doping via Ti substitution on the V kagome sites in CsV 3−𝑥 ⁢Ti 𝑥 ⁢Sb 5 via synchrotron x-ray diffraction and scanning superconducting quantum interference device measurements. While the superconducting phase, as viewed via the vortex structure, remains conventional and unchanged across the phase diagram, the nature of charge correlations evolves as a function of hole doping from the first superconducting dome into the second superconducting dome. For Ti doping in the first superconducting dome, competing 2×2×2 and 2×2×4 supercells form within the charge density wave state and are suppressed rapidly with carrier substitution. In the second superconducting dome, no charge correlations are detected. Here, comparing these results to those observed for CsV 3 ⁢Sb 5−𝑥 ⁢Sn 𝑥 suggests important differences between hole doping via chemical substitution on the V and Sb sites, particularly in the disorder potential associated with each dopant.

Charge density waves↗
DOE OSTI2023

Production of Precursor Materials for the Development of Iron-Based Superconductor (IBS) Wire

The objective of the activities under this Annex is to address the extrinsic Jc limitations uncovered in pioneering work. In order to engineer the defects pinning landscape charged particle irradiations experiments on bulk samples, different doping and chemical additions will be performed at different National facilities (Test Beam Facility at Fermilab; Linac Isotope Producer at Brookhaven National Laboratory; Integrated Biology Laboratory at University of Wisconsin-Madison; Facility for Rare Isotope Beams at Michigan State University). The samples will be produced at ENEA by different techniques. Magnetization and advanced microscopy measures will be performed at Fermilab. After irradiation, depending on the level of radioactivity, the samples will be tested at Fermilab or where it is possible to measure radioactive materials as University of Wisconsin-Madison.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

Production of Precursor Materials for the Development of Iron-Based Superconductor (IBS) Wire

The objective of the activities under this Annex is to address the extrinsic Jc limitations uncovered in pioneering work. In order to engineer the defects pinning landscape charged particle irradiations experiments on bulk samples with different doping and chemical additions will be performed at different National facilities (Test Beam Facility at Fermilab; Linac Isotope Producer at Brookhaven National Laboratory; Integrated Biology Laboratory at University of Wisconsin-Madison; Facility for Rare Isotope Beams at Michigan State University). The samples will be produced at TUAT by different synthesis techniques. Magnetization and advanced microscopy measures will be performed at Fermilab. After irradiation, depending on the level of radioactivity, the samples will be tested at Fermilab or where it is possible to measure radioactive materials as University of Wisconsin-Madison. In parallel, the precursor materials produced by TUAT will be used for IBS-wire fabrication at Fermi

43 PARTICLE ACCELERATORS↗
NASA NTRS2010

Chemical sensors using coated or doped carbon nanotube networks

Methods for using modified single wall carbon nanotubes ("SWCNTs") to detect presence and/or concentration of a gas component, such as a halogen (e.g., Cl.sub.2), hydrogen halides (e.g., HCl), a hydrocarbon (e.g., C.sub.nH.sub.2n+2), an alcohol, an aldehyde or a ketone, to which an unmodified SWCNT is substantially non-reactive. In a first embodiment, a connected network of SWCNTs is coated with a selected polymer, such as chlorosulfonated polyethylene, hydroxypropyl cellulose, polystyrene and/or polyvinylalcohol, and change in an electrical parameter or response value (e.g., conductance, current, voltage difference or resistance) of the coated versus uncoated SWCNT networks is analyzed. In a second embodiment, the network is doped with a transition element, such as Pd, Pt, Rh, Ir, Ru, Os and/or Au, and change in an electrical parameter value is again analyzed. The parameter change value depends monotonically, not necessarily linearly, upon concentration of the gas component. Two general algorithms are presented for estimating concentration value(s), or upper or lower concentration bounds on such values, from measured differences of response values.

Li, Jing↗
DOE OSTI2021

Activation of anionic redox in d 0 transition metal chalcogenides by anion doping

Expanding the chemical space for designing novel anionic redox materials from oxides to sulfides has enabled to better apprehend fundamental aspects dealing with cationic-anionic relative band positioning. Pursuing with chalcogenides, but deviating from cationic substitution, we here present another twist to our band positioning strategy that relies on mixed ligands with the synthesis of the Li 2 TiS 3-x Se x solid solution series. Through the series the electrochemical activity displays a bell shape variation that peaks at 260 mAh/g for the composition x = 0.6 with barely no capacity for the x = 0 and x = 3 end members. We show that this capacity results from cumulated anionic (Se 2– /Se n– ) and (S 2– /S n– ) and cationic Ti 3+ /Ti 4+ redox processes and provide evidence for a metal-ligand charge transfer by temperature-driven electron localization. Moreover, DFT calculations reveal that an anionic redox process cannot take place without the dynamic involvement of the transition metal electronic states. These insights can guide the rational synthesis of other Li-rich chalcogenides that are of interest for the development of solid-state batteries.

25 ENERGY STORAGE↗
DOE OSTI2022

A study on sub-bandgap photoexcitation in nitrogen- and boron-doped diamond with interdigitated device structure

Diamond is an ultrawide-bandgap semiconductor suitable for high power devices that require high current carrying capacity, high blocking voltages, and smaller form factors. We investigated various diamond structures for extrinsic photoconductive semiconductor switches, including an insulating high-pressure high-temperature type Ib (highly nitrogen-doped) substrate, a chemical vapor deposited (CVD) type IIa (unintentionally doped) substrate, a CVD grown semiconducting boron-doped epilayer on a type IIa substrate, and boron-implanted type Ib and IIa substrates. Using these samples, we fabricated and characterized planar interdigitated photoconductive switches with 30 μm, electrode gaps. 532 and 1064 nm Nd:YAG laser pulses with energies up to 3.5 mJ/pulse were used to trigger the switches. Photoresponses were measured at bias voltages ranging from 10 to 100 V, corresponding to electric fields of 3.3–33 kV/cm. In this field range, the type Ib device exhibited the highest average on/off-state current ratio, on the order of 10 11 , when triggered with 0.8 mJ/pulse, 532 nm laser pulses. However, only the CVD grown boron-doped epilayer and boron implanted IIa devices showed decent sensitivity to 1064 nm.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Combination of Counterion Size and Doping Concentration Determines the Electronic and Thermoelectric Properties of Semiconducting Polymers

In both chemical and electrochemical doping of organic semiconductors (OSCs), a counterion, either from the electrolyte or ionized dopant, balances the charge introduced to the OSC. Despite the large influence of this counterion on OSC optical and electronic response, there remains substantial debate on how a fundamental parameter, ion size, impacts these properties. Here, this work resolves much of this debate by accounting for two doping regimes. In the low-doping regime, the Coulomb binding energies between charge carriers on the OSC and the counterions are significant, and larger counterions lead to decreased Coulomb interactions, more delocalized charge carriers, and higher electrical conductivities. In the high-doping regime, the Coulomb binding energies become negligible due to the increased dielectric constant of the films and a smoothing of the energy landscape; thereby, the electrical conductivities depend primarily on the extent of morphological disorder in the OSC. Moreover, in regioregular poly(3-hexylthiophene), rr-P3HT, smaller counterions lead to greater bipolaron concentrations in the low-doping regime due to the increased Coulomb interactions. Emphasizing the impact of the counterion size, it is shown that larger counterions can lead to increased thermoelectric power factors for rr-P3HT.

36 MATERIALS SCIENCE↗
NASA NTRS2006

FETs Based on Doped Polyaniline/Polyethylene Oxide Fibers

A family of experimental highly miniaturized field-effect transistors (FETs) is based on exploitation of the electrical properties of nanofibers of polyaniline/ polyethylene oxide (PANi/PEO) doped with camphorsulfonic acid. These polymer-based FETs have the potential for becoming building blocks of relatively inexpensive, low-voltage, highspeed logic circuits that could supplant complementary metal oxide/semiconductor (CMOS) logic circuits. The development of these polymerbased FETs offers advantages over the competing development of FETs based on carbon nanotubes. Whereas it is difficult to control the molecular structures and, hence, the electrical properties of carbon nanotubes, it is easy to tailor the electrical properties of these polymerbased FETs, throughout the range from insulating through semiconducting to metallic, through choices of doping levels and chemical manipulation of polymer side chains. A further advantage of doped PANi/PEO nanofibers is that they can be made to draw very small currents and operate at low voltage levels, and thus are promising for applications in which there are requirements to use many FETs to obtain large computational capabilities while minimizing power demands. Fabrication of an experimental FET in this family begins with the preparation of a substrate as follows: A layer of silicon dioxide between 50 and 200 nm thick is deposited on a highly doped (resistivity 0.01 W.cm) silicon substrate, then gold electrodes/contact stripes are deposited on the oxide. Next, one or more fibers of camphorsulphonic acid-doped PANi/PEO having diameters of the order of 100 nm are electrospun onto the substrate so as to span the gap between the gold electrodes (see Figure 1). Figure 2 depicts measured current-versus-voltage characteristics of the device of Figure 1, showing that saturation channel currents occur at source-todrain potentials that are surprisingly low, relative to those of CMOS FETs. The hole mobility in the depletion regime in this transistor was found to be 1.4 10(exp -4) sq cm/(V.s), while the one-dimensional charge density at zero gate bias was estimated to be approximately one hole per 50 two-ring repeat units of polyaniline, consistent with the rather high channel conductivity (approx. 10(exp -3) S/cm). Reducing or eliminating the PEO content of the fibers is expected to enhance the properties of future versions of this transistor.

Theofylaktos, Noulie↗
DOE OSTI2023

Diesel Particulate Filter Durability Performance Comparison Using Metals Doped B20 vs. Conventional Diesel Part II: Chemical and Microscopic Characterization of Aged DPFs

This project's objective was to generate experimental data to evaluate the impact of metals doped B20 on diesel particle filter (DPF) ash loading and performance compared to that of conventional petrodiesel. The effect of metals doped B20 vs. conventional diesel on a DPF was quantified in a laboratory controlled accelerated ash loading study. The ash loading was conducted on two DPFs - one using ULSD fuel and the other on B20 containing metals dopants equivalent to 4 ppm B100 total metals. Engine oil consumption and B20 metals levels were accelerated by a factor of 5, with DPFs loaded to 30 g/L of ash. Details of the ash loading experiment and on-engine DPF performance evaluations are presented in the companion paper (Part I). The DPFs were cleaned, and ash samples were taken from the cleaned material. X-ray Fluorescence (XRF), X-Ray Photoelectron Spectroscopy (XPS) and X-Ray Diffraction (XRD) were conducted on the ash samples. Core samples were taken from the cleaned DPF and were subjected to scanning electron microscope energy dispersive x-ray spectroscopy (SEM-EDS) and XRF analysis. A comparison of the data from the two DPFs is presented. The XRD and XPS analysis showed that the compounds present in the ash from the two DPFs were nearly identical, though differing in concentrations. CaSO4 was the biggest component of the ash from both DPFs. The metals doped B20 fuel resulted in ash with similar characteristics to that deposited by the lube oil and did not appear to have any deleterious physical effects on the DPF substrate (did not penetrate the substrate).

ADVANCED PROPULSION SYSTEMS,BIOMASS FUELS↗