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At least 19 records

All sources NASA NTRS DOE OSTI

DOE OSTI2023

Effects of Ball Milling on the Electrochemical Capacity and Interfacial Stability of Li 2 MnO 3 Cathode Materials

The cycling mechanism of Li 2 MnO 3 cathode materials synthesized by conventional solid-state methods at high temperatures (800-900 °C) has been intensively investigated. Previous studies showed that CO 2 and O 2 gas evolution accounts for most of the charge capacity, followed by some Mn reduction during discharge. In this work, we analyze the effects of ball milling on the structure, surface contaminant, and electrochemical capacity of Li 2 MnO 3 cathode material, with or without a graphitic fluoride (C-F) additive. At the same time, C-F is added to form a protective coating layer that reduces unwanted reactions with the electrolyte during later electrochemical cycling. We find that the C-F ball-milled material shows Li 2 MnO 3 /LiMnO 2 composite phases, while the purely ball-milled material shows a single Li 2 MnO 3 phase. Furthermore, we characterize surface species and gas evolution during the first cycle, which reveals the decomposition of Li 2 CO 3 and the carbonate electrolyte during the first charge, especially during the high potential region (>4.4 V), and the electrochemical reduction of only a small fraction of the evolved gas on the first discharge (<2.75 V). The appearance further demonstrates the repetitive nature of this process during charge and disappearance during discharge of Mn 2p 3/2 X-ray photoelectron spectroscopy (XPS) spectra signals during the first two cycles. These processes result in first discharge specific capacities of only 155 and 170 mAh/g after first charge specific capacities of 210 and 320 mAh/g for the pure ball-milled and ball-milled with C-F materials, respectively. These studies demonstrate the interfacial instability introduced by ball milling. However, the electrochemical capacity is significantly increased, necessitating further investigation to determine whether ball milling can activate Mn-containing cathode materials.

25 ENERGY STORAGE↗

NASA NTRS2004

Airborne In Situ and Ground-based Polarimetric Radar Measurements of Tropical Convection in Support of CRYSTAL-FACE

This report describes the work performed by the University of North Dakota (UND) under NASA Grant NAG5-11509, titled Airborne In Situ and Ground-based Polarimetric Radar Measurements of Tropical Convection in Support of CRYSTAL-FACE. This work focused on the collection of data by two key platforms: the UND Citation II research aircraft and the NASA NPOL radar system. The CRYSTAL-FACE (C-F) mission addresses several key issues from the NASA Earth System Enterprise, including the variability of water in the atmosphere, the forcing provided by tropical cirrus and the response of the Earth system to this forcing. In situ measurements and radar observations of tropical convection, cirrus clouds and their environment are core elements of C-F. One of the primary issues that C-F is addressing is the relationship of tropical cirrus anvils to precipitating deep convection. The in situ measurements from C-F are being used to validate remote sensing of Earth-Atmosphere properties, increase our knowledge of upper tropospheric water vapor and its distribution, and increase our knowledge of tropical cirrus cloud morphology and composition. Radar measurements, especially polarimetric diversity observations available fiom the NASA NPOL radar, are providing essential information about the initiation, modulation, and dissipation of convective cores and the generation of associated anvils in tropical convection. Specifically, NPOL radar measurements contain information about convective intensity and its vertical structure for comparison with thermodynamic and kinematic environmental measurements observed from soundings. Because of the polarimetric diversity of MOL, statistics on bulk microphysical properties can be retrieved and compared to the other characteristics of convection and associated cirrus anvils. In summary, the central objectives of this proposal were to deploy the UND Citation research aircraft as an in situ sensing platform for this mission and to provide collaborative analyses of the recorded data and to deploy the NPOL radar to observe the characteristics of cirrus and parent convection.

Poellot, Michael R.↗

NASA NTRS1984

F-111 natural laminar flow glove flight test data analysis and boundary layer stability analysis

An analysis of 34 selected flight test data cases from a NASA flight program incorporating a natural laminar flow airfoil into partial wing gloves on the F-111 TACT airplane is given. This analysis determined the measured location of transition from laminar to turbulent flow. The report also contains the results of a boundary layer stability analysis of 25 of the selected cases in which the crossflow (C-F) and Tollmien-Schlichting (T-S) disturbance amplification factors are correlated with the measured transition location. The chord Reynolds numbers for these cases ranges from about 23 million to 29 million, the Mach numbers ranged from 0.80 to 0.85, and the glove leading-edge sweep angles ranged from 9 deg to 25 deg. Results indicate that the maximum extent of laminar flow varies from 56% chord to 9-deg sweep on the upper surface, and from 51% chord at 16-deg sweep to 6% chord at 25-deg sweep on the lower. The results of the boundary layer stability analysis indicate that when both C-F and T-S disturbances are amplified, an interaction takes place which reduces the maximum amplification factor of either type of disturbance that can be tolerated without causing transition.

Runyan, L. J.↗

DOE OSTI2021

Highly Perfluorinated Covalent Triazine Frameworks Derived from a Low-Temperature Ionothermal Approach Towards Enhanced CO 2 Electroreduction

Perfluorinated covalent triazine frameworks (F-CTFs) have shown unique features and attractive performance in separation and catalysis. However, state-of-art F-CTFs synthesized via the ZnCl 2 -promoted procedure have quite low fluorine contents due to C-F bond cleavage induced by chloride (a Lewis base) and the harsh conditions deployed (400-700 °C). Fabricating F-CTFs with high fluorine contents (> 30 wt%) remains challenging. Herein, we present a low-temperature ionothermal approach (275 °C) to prepare F-CTFs, which is achieved via polymerization of tetrafluoroterephthalonitrile (TFPN) over the Lewis superacids, e.g., zinc triflimide [Zn(NTf 2 ) 2 ] without side reactions. With low catalyst loading (equimolar), F-CTFs are afforded with high fluorine content (31 wt%), surface area up to 367 m 2 g -1 , and micropores around 1.1 nm. The highly hydrophobic F-CTF-1 exhibits good capability to boost electroreduction of CO 2 to CO, with faradaic efficiency of 95.7% at –0.8 V and high current density (–141 mA cm -2 ) surpassing most of the metal-free electrocatalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Skeletal Ni electrode-catalyzed C-O cleavage of diaryl ethers entails direct elimination via benzyne intermediates

Diaryl ethers undergo electrocatalytic hydrogenolysis (ECH) over skeletal Ni cathodes in a mild, aqueous process that achieves direct C-O cleavage without initial benzene ring saturation. Mechanistic studies find that aryl phenyl ethers with a single para or meta functional group (methyl, methoxy, or hydroxy) are selectively cleaved to the substituted benzene and phenol, in contrast to recently reported homogeneous catalytic cleavage processes. Ortho positioning of substituents reverses this C-O bond selectivity, except for the 2-phenoxyphenol case. Together with isotope labeling and co-solvent studies, these results point to two distinct cleavage mechanisms: (a) dual-ring coordination and C-H activation, leading to vicinal elimination to form phenol and a surface-bound aryne intermediate which is then hydrogenated and released as the arene; and (b) surface binding in keto form by the phenolic ring of the hydroxy-substituted substrates, followed by direct displacement of the departing phenol. Notably, acetone inhibits the well-known reduction of phenol to cyclohexanol, affording control of product ring saturation. A byproduct of this work is the discovery that the ECH treatment completely defluorinates substrates bearing aromatic C-F and C-CF 3 groupings.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Deposition temperature-mediated growth of helically shaped polymers and chevron-type graphene nanoribbons from a fluorinated precursor

Graphene nanoribbons (GNRs) of precise size and shape, critical for controlling electronic properties and future device applications, can be realized via precision synthesis on surfaces using rationally designed molecular precursors. Fluorine-bearing precursors have the potential to form GNRs on nonmetallic substrates suitable for device fabrication. Here, we investigate the deposition temperature-mediated growth of a new fluorine-bearing precursor, 6,11-diiodo-1,4-bis(2-fluorophenyl)-2,3-diphenyltriphenylene (C 42 H 24 F 2 I 2 ), into helically shaped polymer intermediates and chevron-type GNRs on Au(111) by combining scanning tunneling microscopy, X-ray photoelectron spectroscopy, and density functional theory simulations. The fluorinated precursors do not adsorb on the Au(111) surface at lower temperatures, necessitating an optimum substrate temperature to achieve maximum polymer and GNR lengths. We compare the adsorption behavior with that of pristine chevron precursors and discuss the effects of C-H and C-F bonds. The results elucidate the growth mechanism of GNRs with fluorine-bearing precursors and establish a foundation for future synthesis of GNRs on nonmetallic substrates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Simultaneous enhancements of thermopower and electrical conductivity in quasi-one-dimensional α -YbAlB 4 single crystal

We report the thermoelectric properties of valence fluctuating material α-YbAlB 4 along a-, b-, and c-axes. The temperature dependence of the Seebeck coefficient for all axes shows negative peaks at around 250 K, which is close to the Kondo scale. Interestingly, the absolute value of the Seebeck coefficient along c-axis (-7 μV K -1 at 250 K) is larger than those along a- and b-axes (-50 μV K -1 at 250 K) although the electrical resistivity along c-axis is about four times lower than those along a- and b-axes. As a result, a very large thermoelectric power factor of ~14.5 mW m -1 K -2 is realized along c-axis at 200 K, which is ten times larger than those along a- and b-axes. The anisotropies in electrical resistivity and Seebeck coefficient, respectively, have different origins of Fermi surface and the c-f hybridization, realizing the simultaneous enhancements of thermopower and electrical conductivity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2024

Impacts of Non-Ideal Back Contact on Capacitance Measurements in CdTe Solar Cells

CdTe solar cells suffer from a non-ideal back contact which can strongly affect the equivalent circuit model and complicate capacitance measurements. Here, five different back contact materials are deposited on identical CdTe absorbers and their influence on capacitance measurements is characterized. A five-element equivalent circuit model is shown to represent a CdTe solar cell with a non-ideal back contact, and capacitance-frequency (C-f) measurements on each sample clearly show the influence of this contact. Capacitance-voltage (C-V) measurements on each sample show the influence of frequency on measured capacitance. In the AlGaOx/Au sample, temperature dependent C-fs show the back barrier height to be 240 meV, and ongoing measurements will give a comparison of back barrier heights for all samples. This study provides insight into the efficacy of various back contacts and highlights potential errors in the interpretation of capacitance measurements due to the presence of the back contact.

cadmium compounds↗

NASA NTRS1975

Moisture resistant and anti-reflection optical coatings produced by plasma polymerization of organic compounds

The need for protective coatings on critical optical surfaces, such as halide crystal windows or lenses used in spectroscopy, has long been recognized. It has been demonstrated that thin, one micron, organic coatings produced by polymerization of flourinated monomers in low temperature gas discharge (plasma) exhibit very high degrees of moisture resistence, e.g., hundreds of hours protection for cesium iodide vs. minutes before degradation sets in for untreated surfaces. The index of refraction of these coatings is intermediate between that of the halide substrate and air, a condition for anti-reflection, another desirable property of optical coatings. Thus, the organic coatings not only offer protection, but improved transmittance as well. The polymer coating is non-absorbing over the range 0.4 to 40 microns with an exception at 8.0 microns, the expected absorption for C-F bonds.

Hollahan, J. R.↗

NASA NTRS1983

Measurements of natural ice nuclei with a continuous flow diffusion chamber

A description is given of a continuous flow diffusion chamber technique for measuring the atmospheric concentrations of natural C-F nuclei. It is noted that the same device can also measure deposition nuclei; these two modes can thus be separated and compared. The laminar flow characteristics allow the temperature and supersaturation to be calculated with a high degree of precision and confidence. The method avoids the problems of a supporting substrate and of concentrating the sample into a small volume (as for membrane filters). The present measurements of natural ice nucleus concentrations at +1 percent water supersaturation are found to be comparable to research aircraft measurements of ice crystal concentrations in winter cap clouds over Elk Mountain, Wyoming (Vali et al., 1982).

Rogers, D. C.↗

NASA NTRS1992

Studies of the kinetics and mechanisms of perfluoroether reactions on iron and oxidized iron surfaces

Polymeric perfluoroalkylethers are being considered for use as lubricants in high temperature applications, but have been observed to catalytically decompose in the presence of metals. X-ray photoelectron spectroscopy (XPS) and temperature programmed desorption (TPD) were used to explore the decomposition of three model fluorinated ethers on clean polycrystalline iron surfaces and iron surfaces chemically modified with oxygen. Low temperature adsorption of the model fluorinated ethers on the clean, oxygen modified and oxidized iron surfaces was molecular. Thermally activated defluorination of the three model compounds was observed on the clean iron surface at remarkably low temperatures, 155 K and below, with formation of iron fluoride. Preferential C-F bond scission occurred at the terminal fluoromethoxy, CF3O, of perfluoro-1-methoxy-2-ethoxy ethane and perfluoro-1-methoxy-2-ethoxy propane and at CF3/CF2O of perfluoro-1,3-diethoxy propane. The reactivity of the clean iron toward perfluoroalkylether decomposition when compared to other metals is due to the strength of the iron fluoride bond and the strong electron donating ability of the metallic iron. Chemisorption of an oxygen overlayer lowered the reactivity of the iron surface to the adsorption and decomposition of the three model fluorinated ethers by blocking active sites on the metal surface. Incomplete coverage of the iron surface with chemisorbed oxygen results in a reaction which resembles the defluorination reaction observed on the clean iron surface. Perfluoro-1-methoxy-2-ethoxy ethane reacts on the oxidized iron surface at 138 K, through a Lewis acid assisted cleavage of the carbon oxygen bond, with preferential attack at the terminal fluoromethoxy, CF3O. The oxidized iron surface did not passivate, but became more reactive with time. Perfluoro-1-methoxy-2-ethoxy propane and perfluoro-1,3-diethoxy propane desorbed prior to the observation of decomposition on the oxidized iron surface.

Napier, Mary E.↗

NASA NTRS1993

Probing the microscopic corrugation of liquid surfaces with gas-liquid collisions

We have measured the directions and velocities of Ne, Ar, and Xe atoms scattering from perfluorinated ether and hydrocarbon liquids to probe the relationship between the microscopic roughness of liquid surfaces and gas-liquid collision dynamics. Impulsive energy transfer is governed by the angle of deflection: head-on encounters deposit more energy than grazing collisions. Many atoms scatter in the forward direction, particularly at glancing incidence. These results imply that the incoming atoms recoil locally from protruding C-H and C-F groups in hard spherelike collisions.

King, Mackenzie E.↗

NASA NTRS1996

Integrated Aeropropulsion Control System Design

%T Integrated Aeropropulsion Control System Design%A C-F. Lin%A Francis X. Hurley%A Jie Huang%A F. Y. Hadaegh%J International Conference on Control and Information(psi)995%C Hong Kong%D June 1995%K aeropropulsion, control, system%U http://jpltrs.jpl.nasa.gov/1995/95-0658.pdfAn integrated intelligent control approach is proposed to design a high performance control system for aeropropulsion systems based on advanced sensor processing, nonlinear control and neural fuzzy control integration. Our approach features the following innovations:??e complexity and uncertainty issues are addressed via the distributed parallel processing, learning, and online reoptimization properties of neural networks.??e nonlinear dynamics and the severe coupling can be naturally incorporated into the design framework.??e knowledge base and decision making logic furnished by fuzzy systems leads to a human intelligence enhanced control scheme.In addition, fault tolerance, health monitoring and reconfigurable control strategies will be accommodated by this approach to ensure stability, graceful degradation and reoptimization in the case of failures, malfunctions and damage.!.

aeropropulsion control systems↗

DOE OSTI2024

Impacts of Non-Ideal Back Contact on Capacitance Measurements in CdTe Solar Cells

14 SOLAR ENERGY↗

DOE OSTI2021

Time delay lens modelling challenge

ABSTRACT In recent years, breakthroughs in methods and data have enabled gravitational time delays to emerge as a very powerful tool to measure the Hubble constant H0. However, published state-of-the-art analyses require of order 1 yr of expert investigator time and up to a million hours of computing time per system. Furthermore, as precision improves, it is crucial to identify and mitigate systematic uncertainties. With this time delay lens modelling challenge, we aim to assess the level of precision and accuracy of the modelling techniques that are currently fast enough to handle of order 50 lenses, via the blind analysis of simulated data sets. The results in Rungs 1 and 2 show that methods that use only the point source positions tend to have lower precision ($10\!-\!20{{\ \rm per\ cent}}$) while remaining accurate. In Rung 2, the methods that exploit the full information of the imaging and kinematic data sets can recover H0 within the target accuracy (|A| < 2 per cent) and precision (<6 per cent per system), even in the presence of a poorly known point spread function and complex source morphology. A post-unblinding analysis of Rung 3 showed the numerical precision of the ray-traced cosmological simulations to be insufficient to test lens modelling methodology at the percent level, making the results difficult to interpret. A new challenge with improved simulations is needed to make further progress in the investigation of systematic uncertainties. For completeness, we present the Rung 3 results in an appendix and use them to discuss various approaches to mitigating against similar subtle data generation effects in future blind challenges.

Ding, X.↗

DOE OSTI2020

Materials Data on CF4 by Materials Project

CF4 is Silicon tetrafluoride-like structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four carbon tetrafluoride molecules. C4+ is bonded in a tetrahedral geometry to four equivalent F1- atoms. All C–F bond lengths are 1.34 Å. F1- is bonded in a single-bond geometry to one C4+ atom.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on C11F7 by Materials Project

(C)4(CF)7 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four ethyne molecules, twenty-eight fluoromethane molecules, and eight methane molecules.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on CF2 by Materials Project

CF2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two difluoromethane molecules, two fluoroform molecules, and two fluoromethane molecules.

36 MATERIALS SCIENCE↗