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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 1,513 records · Page 84
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Aerosol Direct Radiative Effects at the ARM SGP and TWP Sites: Clear Skies

The clear-sky aerosol direct radiative effect (DRE) was estimated at the Atmospheric Radiation Measurement (ARM) Southern Great Plains (SGP) and Tropical Western Pacific (TWP) sites. The NASA Langley Fu-Liou radiation model was used with observed inputs including aerosol vertical extinction profile from the Raman lidar; spectral aerosol optical depth (AOD), single-scattering albedo and asymmetry factor from Aerosol Robotic Network; temperature and water vapor profiles from radiosondes; and surface shortwave (SW) spectral albedo from radiometers. A radiative closure experiment was conducted for clear-sky conditions. The mean differences of modeled and observed surface downwelling SW total fluxes were 1 W m-2 at SGP and 2 W m -2 at TWP, which are within observational uncertainty. At SGP, the estimated annual mean clear-sky aerosol DRE is -3.00 W m -2 at the top of atmosphere (TOA) and -6.85 W m -2 at the surface. The strongest aerosol DRE of -4.81 (-10.77) W m -2 at the TOA (surface) are in the summer when AODs are largest. The weakest aerosol DRE of -.28 (-2.77) W m -2 at the TOA (surface) are in November–January when AODs and single-scattering albedos are lowest. At TWP, the annual mean clear-sky DRE is -2.82 W m-2 at the TOA and -10.34 W m -2 at the surface. The strongest aerosol DRE of -5.95 (-22.20) W m -2 at the TOA (surface) are in November (October) due to the biomass burning season’s peak. The weakest aerosol DRE of -0.96 (-4.16) W m -2 at the TOA (surface) are in March (April) when AODs are smallest.

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

Lattice-shifted nematic quantum critical point in FeSe 1-x S x

We report the evolution of nematic fluctuations in FeSe 1-x S x single crystals as a function of Sulfur content x across the nematic quantum critical point (QCP) x c ~ 0.17 via Raman scattering. The Raman spectra in the B1g nematic channel consist of two components, but only the low energy one displays clear fingerprints of critical behavior and is attributed to itinerant carriers. Curie–Weiss analysis of the associated nematic susceptibility indicates a substantial effect of nemato-elastic coupling, which shifts the location of the nematic QCP. We argue that this lattice-induced shift likely explains the absence of any enhancement of the superconducting transition temperature at the QCP. The presence of two components in the nematic fluctuations spectrum is attributed to the dual aspect of electronic degrees of freedom in Hund’s metals, with both itinerant carriers and local moments contributing to the nematic susceptibility.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Tungsten Ditelluride: a layered semimetal

Tungsten ditelluride (WTe2) is a transition metal dichalcogenide (TMD) with physical and electronic properties that make it attractive for a variety of electronic applications. Although WTe2 has been studied for decades, its structure and electronic properties have only recently been correctly described. We experimentally and theoretically investigate the structure, dynamics and electronic properties of WTe2, and verify that WTe2 has its minimum energy configuration in a distorted 1T structure (Td structure), which results in metallic-like transport. Our findings unambiguously confirm the metallic nature of WTe2, introduce new information about the Raman modes of Td-WTe2, and demonstrate that Td-WTe2 is readily oxidized via environmental exposure. Finally, these findings confirm that, in its thermodynamically favored Td form, the utilization of WTe2 in electronic device architectures such as field effect transistors may need to be reevaluated.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Anneal-induced enhancement of refractive index and hardness of silicophosphate glasses containing six-fold coordinated silicon

A considerable number of optical devices have significantly benefited from the development of phosphate glasses as substrate materials. Introducing silica into sodium phosphate is an effective method to enhance its mechanical and optical properties. Through annealing treatment, the tetrahedral silicon oxide network structure (Si{sup (4)}) can be transformed into an octahedral structure (Si{sup (6)}) with more constraints. Here, we use high-temperature Raman and Nuclear Magnetic Resonance to reveal the mechanism of transformation between the Si{sup (4)} and Si{sup (6)} silicon oxide structures. The increase of the Si{sup (6)} content results in the phosphate glasses having higher refractive index and hardness. Based on this, the refractive index contribution of SiO{sub 6} is obtained.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Multidimensional visualization of the dynamic evolution of Li metal via in situ/operando methods

The growing demands for high-energy density electrical energy storage devices stimulate the coupling of conversion-type cathodes and lithium (Li) metal anodes. While promising, the use of these “Li-free” cathodes brings new challenges to the Li anode interface, as Li needs to be dissolved first during cell operation. In this study, we have achieved a direct visualization and comprehensive analysis of the dynamic evolution of the Li interface. The critical metrics of the interfacial resistance, Li growth, and solid electrolyte interface (SEI) distribution during the initial dissolution/deposition processes were systematically investigated by employing multidimensional analysis methods. They include three-electrode impedance tests, in situ atomic force microscopy, scanning electrochemical microscopy, and cryogenic scanning transmission electron microscopy. The high-resolution imaging and real-time observations show that a loose, diffuse, and unevenly distributed SEI is formed during the initial dissolution process. This leads to the dramatically fast growth of Li during the subsequent deposition, deviating from Fick’s law, which exacerbates the interfacial impedance. The compactness of the interfacial structure and enrichment of electrolyte species at the surface during the initial deposition play critical roles in the long-term stability of Li anodes, as revealed by operando confocal Raman spectroscopic mapping. In conclusion, our observations relate to ion transfer, morphological and structural evolution, and Li (de)solvation at Li interfaces, revealing the underlying pathways influenced by the initial dissolution process, which promotes a reconsideration of anode investigations and effective protection strategies.

25 ENERGY STORAGE↗
NASA NTRS1971

Research investigation directed toward extending the useful range of the electromagnetic spectrum

The lifetimes and fine structure of He(-) were studied using time-of-flight techniques and quenching by a static axial magnetic field. Using level-crossing spectroscopy the hyperfine constants A and B and the lifetime of the 3 2P3/2 state of Li-7 were measured. Polarization of the Ru 7S level was created as a first step in determining the hyperfine structure of the alkali excited S state. The parametric interaction between light and microwaves in optically pumped Rb-87 vapor were investigated. Measurements and analyses of transitions in formaldehyde and its isotopic species and in the lowest two excited vibrational states of H2CO were also made, as well as of transitions in furan, pyrrole, formic acid, and cyanoacetylene. The Hanle effect was studied in the NO molecule, and RF oscillators were developed with flat, wideband output to observe excited state hyperfine transitions at zero field. Data was generated on the time-dependent behavior of photon echoes in ruby. Stimulated Raman scattering was studied in atomic Tl vapor. A Q switched, temperature-tuned ruby laser was developed which operates between 6934 and 6938 A. The frequency shift due to resonant interaction between identical radiating atoms was calculated.

Hartmann, S. R.↗
NASA NTRS2001

Orientational Growth of Carbon Nanotube for Applications

Since the superior properties of multi-wall carbon nanotubes (MWCNT) could improve numerous devices such as electronics and sensors, many efforts have been made in investigating the growth mechanism of MWCNT to synthesize high quality MWCNT. Most applications require uniform aligned CNT. In this presentation, a directional growth of CNT will be reported. Carbon nanotubes are synthesized using thermal chemical vapor deposition. Temperature and pressure are two important growth parameters for fabricating carbon nanotubes. It is found that the nanotube diameter distribution mainly depends on the growth-temperature. With the substrate surface normal either along or against the gravity vector, different growth orientations of MWCNT are observed by scanning electron microscopy although the Raman spectra are similar for samples synthesized at different locations. The sizes of these carbon nanotubes in each sample are quite uniform and the length of the tube is up to several tens of micrometers. These results suggest the gravitation effects in the growth of long and small diameter CNT.

Zhu, Shen↗
DOE OSTI2016

Mixed-mode high-power impulse magnetron sputter deposition of tetrahedral amorphous carbon with pulse-length control of ionization

High-power impulse magnetron sputtering (HiPIMS) is used to deposit amorphous carbon thin films with sp{sup 3} fractions of 13% to 82%. Increasing the pulse length results in a transition from conventional HiPIMS deposition to a “mixed-mode” in which an arc triggers on the target surface, resulting in a large flux of carbon ions. The films are characterized using X-ray photoelectron spectroscopy, Raman spectroscopy, ellipsometry, nanoindentation, elastic recoil detection analysis, and measurements of stress and contact angle. All properties vary in a consistent manner, showing a high tetrahedral character only for long pulses, demonstrating that mixed-mode deposition is the source of the high carbon ion flux. Varying the substrate bias reveals an “energy window” effect, where the sp{sup 3} fraction of the films is greatest for a substrate bias around −100 V and decreases for higher or lower bias values. In the absence of bias, the films' properties show little dependence on the pulse length, showing that energetic ions are the origin of the highly tetrahedral character.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Surface phase of TiO{sub 2} modified with La{sub 2}O{sub 3} and its effect on the photocatalytic H{sub 2} evolution

Graphical abstract: The La{sub 2}O{sub 3}/TiO{sub 2}-900 °C (or La{sub 2}O{sub 3}/Ti(OH){sub 4}-900 °C), with surface anatase phase, show the similar photocatalytic activity. The presence of the surface anatase phase is important for high photocatalytic activity of TiO{sub 2} modified with La{sub 2}O{sub 3} (La{sub 2}O{sub 3}/Ti(OH){sub 4}-900 °C or La{sub 2}O{sub 3}/Ti(OH){sub 4}-900 °C){sub .} - Highlights: • Loading La{sub 2}O{sub 3} on anatase TiO{sub 2} is an effective method for stabilizing the anatase phases both in the surface and in the bulk region. • The high crystallinity of the surface anatase phase is important for high photocatalytic activity of TiO{sub 2} modified with La{sub 2}O{sub 3.} - Abstract: TiO{sub 2} nanoparticles modified with La{sub 2}O{sub 3} were prepared by an impregnation method using anatase TiO{sub 2} support (La{sub 2}O{sub 3}/TiO{sub 2}) or amorphous Ti(OH){sub 4} support (La{sub 2}O{sub 3}/Ti(OH){sub 4}). The bulk and surface crystalline phases of La{sub 2}O{sub 3}/TiO{sub 2} (or La{sub 2}O{sub 3}/Ti(OH){sub 4}) have been characterized by X-ray powder diffraction (XRD) and UV Raman spectroscopy. Besides, morphology and particle size of La{sub 2}O{sub 3}/TiO{sub 2} and La{sub 2}O{sub 3}/Ti(OH){sub 4} samples have been determined by TEM (transmission electron microscope) and Brunauer–Emmett–Teller (BET), respectively. It is found that the phase transformation and increase of the particle size of TiO{sub 2} can be more effectively inhibited in the La{sub 2}O{sub 3}/TiO{sub 2} than in the La{sub 2}O{sub 3}/Ti(OH){sub 4}. Photocatalytic experiments indicated that the La{sub 2}O{sub 3}/TiO{sub 2} (or La{sub 2}O{sub 3}/Ti(OH){sub 4}) samples with surface anatase phase have the similar overall photocatalytic activities. Moreover, it is found that the high crystallinity of surface anatase phase is benefit for the high photocatalytic activity of TiO{sub 2} modified with La{sub 2}O{sub 3}.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Fabrication, characterization and photocatalytic properties of Ag/AgI/BiOI heteronanostructures supported on rectorite via a cation-exchange method

Highlights: • Ag/AgI/BiOI-rectorite was prepared by twice cation-exchange process. • Ag/AgI/BiOI-rectorite photocatalyst possessed SPR and adsorption capacity. • Ag/AgI/BiOI-rectorite exhibited highly photocatalytic activity. • Trapped holes and ·O{sub 2}{sup −} were formed active species in the photocatalytic system. - Abstract: In this work, a new plasmonic photocatalyst Ag/AgI/BiOI-rectorite was prepared via a cation exchange process. The photocatalyst had been characterized by X-ray powder diffraction (XRD), Raman spectra, nitrogen sorption (BET), field-emission scanning electron microscope (FE-SEM), X-ray photoelectron spectroscopy (XPS) and UV–vis diffuse reflectance spectroscopy (DRS). The photocatalytic activity, which was evaluated by degradation of rhodamine B (RhB) and bisphenol A (BPA) under visible light irradiation, was enhanced significantly by loading Ag/AgI/BiOI nanoparticles onto rectorite. The photogenerated holes and superoxide radical (·O{sub 2}{sup −}) were both formed as active species for the photocatalytic reactions under visible light irradiation. The existence of metallic Ag particles, which possess the surface plasmon resonance effect, acted as an indispensable role in the photocatalytic reaction.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2019

Two-step synthesis of few layer graphene using plasma etching and atmospheric pressure rapid thermal annealing

A two-step process using halogen based plasma etching combined with atmospheric pressure rapid thermal annealing has been used to synthesize few layer graphene films on 6H-SiC (0001) surfaces. In this process, the 6H-SiC substrates were etched under different plasma conditions to produce a carbon rich surface layer. This was followed by rapid thermal annealing in a flow of atmospheric pressure Ar to produce the graphene films. The effects of different etching conditions, heating rates, and average and maximum annealing temperatures were investigated. Changes in surface and near-surface composition after each step were characterized by x-ray photoelectron spectroscopy and overall film quality was assessed using Raman spectroscopy. Film defects associated with this synthesis method included a buffer layer between the SiC substrate and graphene as well as oxygen-based defects on the graphene surface. Electrical characterization of these films was performed using both two and four point methods. In the two point measurements, these films exhibited back-to-back Schottky behavior from which the Schottky barrier height, carrier density and mobility were determined. The four point measurements were used to determine the contact and film resistivity as well as the transfer length.

36 MATERIALS SCIENCE↗
DOE OSTI2020

The role of surface hydroxyls on the radiolysis of gibbsite and boehmite nanoplatelets

Understanding mechanistic pathways to radiolytic hydrogen generation by metal oxyhydroxide nanomaterials is challenging because of the difficulties of distinguishing key locations of OH bond scission, from structural interiors to hydroxylated surfaces to physi-sorbed water molecules. In this work we exploited the interface-selectivity of vibrational sum frequency generation (VSFG) to isolate surface versus bulk hydroxyl groups for gibbsite and boehmite nanoplatelets before and after 60 Co irradiation at dose levels of approximately 7.0 and 29.6 Mrad. While high-resolution microscopy revealed no effect on particle bulk and surface structures, VSFG results clearly indicated up to 83% and 94% radiation-induced surface OH bond scission for gibbsite and boehmite, respectively, a substantially higher proportion than observed for interior OH groups by IR and Raman spectroscopy. Electron paramagnetic spectroscopy revealed that the major radiolysis products bound in the mineral structures are trapped electrons, O , O 2 – and possibly F-centers in gibbsite, and H , O and O 3 – in boehmite, which persist on the time frame of several months. The entrapped radiolysis products appear to be highly stable, enduring re-hydration of particle surfaces, and likely reflect a permanent adjustment in the thermodynamic stabilities of these nanomaterials.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2018

Magnetic and photocatalytic properties of bismuth doped KNbO3 microrods

Highlights: • K{sub 1-x}Bi{sub x}NbO{sub 3} microrods were prepared by solid state reaction method. • Structural information confirms orthorhombic structure of K{sub 1-x}Bi{sub x}NbO{sub 3}. • Band gap of KNbO{sub 3} was varied between 3.13 and 2.95 eV by Bi doping. • Magnetic property of KNbO{sub 3} microrods effectively modified by Bi doping. • Bi doping considerably enhances the degradation of methyl orange dye. - Abstract: The effect of bismuth doping on the structural, magnetic and photocatalytic properties of K{sub 1-x}Bi{sub x}NbO{sub 3} (x = 0.0, 0.01, 0.03, 0.05 and 0.07 mol.%) microrods were studied. X-ray diffraction, Fourier transform infrared and Raman studies revealed the orthorhombic system of KNbO{sub 3}. The scanning electron microscopy images display the nearly rod shape crystallites of K{sub 1-x}Bi{sub x}NbO{sub 3.} The UV–vis diffuse reflectance spectral result showed that the band gap varying between 3.13 and 2.95 eV. Photoluminescence spectra showed that the emission peaks in the visible region between 459 and 544 nm, which are mainly attributed to the oxygen vacancy present in the K{sub 1-x}Bi{sub x}NbO{sub 3} sample. Vibrating sample magnetometer analysis revealed diamagnetic behavior of Bi doped KNbO{sub 3} samples. The BET surface area of K{sub 1-x}Bi{sub x}NbO{sub 3} microrods varies between 9.54 and 14.48 m{sup 2}g{sup −1}. The rate constant of methyl orange degradation with Bi doped samples is about 2 (x = 0.05) and 2.25 (x = 0.07) times faster when compared with that of undoped KNbO{sub 3}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Leveraging Sequential Doping of Semiconducting Polymers to Enable Functionally Graded Materials for Organic Thermoelectrics

With the ability to modulate electronic properties through molecular doping coupled with ease in processability, semiconducting polymers are at the forefront in enabling organic thermoelectric devices for thermal energy management. In contrast to uniform thermoelectric material properties, an alternative route focuses on functionally graded materials (FGMs) where one spatially controls and optimizes transport properties across the length of a thermoelectric material. While primarily studied in the context of inorganic materials, the concept of FGMs for organic thermoelectrics has not been explored. Herein, we introduce how molecular doping of semiconducting polymers enables spatial compositional control of thin-film FGMs. Specifically, we utilize sequential vapor doping of poly[2,5-bis(3-tetradecylthiophen-2-yl) thieno [3,2-b]thiophene] (PBTTT) with the small molecule acceptor 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (F4TCNQ) to fabricate the simplest form of FGMs – double- segmented thin films. The two thin-film segments are of equal length (7.5 mm), but each set to different doping levels. Our study focuses on understanding the thermoelectric properties (Seebeck coefficient, α, and electronic conductivity, σ) and structural properties (through X-ray scattering, UV-vis-NIR spectroscopy, and Raman spectroscopy) within and across the two segments. We observe the presence of a small diffuse interfacial region of 0.5 – 1 mm between the two segments where the doping level and transport properties vary continuously. Despite the diffuse interface, the measured effective Seebeck coefficient (αeff) across the two segments is simply the average of α within each segment. Importantly, this experimental result is consistent with reported mathematical models describing αeff in graded thermoelectric materials. Finally, our results demonstrate the facile fabrication and characterization of functionally graded organic thermoelectric materials, providing guidelines for further development on more complex FGMs.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Ion implantation of magnesium guests into type II silicon clathrate films: an alternate approach to doping a cage-like silicon allotrope

Type II silicon clathrates, with their unique cage-like structure, offer exciting potential for applications in thermoelectrics, photovoltaics, and quantum materials due to their tunable electronic and thermal properties. This study investigates the use of ion implantation to introduce targeted guest atoms, which act as dopants, into type II Si clathrate films. The focus is on Mg as a test case for implantation, a dopant previously unreported in type II Si clathrates. The effects of ion implantation on the metastable Si clathrate structure were examined through systematic investigation of implant parameters. Time-of-flight secondary ion mass spectrometry depth profiling confirmed the successful implantation of Mg, while X-ray diffraction and confocal Raman spectroscopy demonstrated minimal structural damage at lower fluences, with the clathrate framework retaining its integrity without converting to other phases. At the higher end of the fluence range implantation caused localized transitions from clathrate to amorphous silicon. Implant activation using rapid thermal annealing was examined with the clathrate structure stable up to 500 °C and being converted to diamond silicon above this temperature. Post-implantation and activation structural characterization showed evidence of damage reversal. Electron paramagnetic resonance studies provided indirect evidence of dopant incorporation. These findings establish a foundation for introducing alternative guests/dopants into the Si clathrate cages through ion implantation, advancing their tunability for next-generation quantum and optoelectronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Self-formation of highly aligned metallic, semiconducting and single chiral single-walled carbon nanotubes assemblies via a crystal template method

The fabrication of an aligned array of single-walled carbon nanotubes (SWCNTs) with a single chiral state has been a significant challenge for SWCNT applications as well as for basic science research. Here, we developed a simple, unique technique to produce assemblies in which metallic, semiconducting, and single chiral state SWCNTs were densely and highly aligned. We utilized a crystal of surfactant as a template on which mono-dispersed SWCNTs in solution self-assembled. Micro-Raman measurements and scanning electron microscopy measurements clearly showed that the SWCNTs were highly and densely aligned parallel to the crystal axis, indicating that approximately 70% of the SWCNTs were within 7° of being parallel. Moreover, the assemblies exhibited good field effect transistor characteristics with an on/off ratio of 1.3 × 10{sup 5}.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

A comparative study: Effect of plasma on V{sub 2}O{sub 5} nanostructured thin films

Vanadium pentoxide nanostructured thin films (NSTs) have been studied to analyze the effect of plasma on nanostructures grown and morphology of films deposited using sublimation process. Nanostructured thin films were deposited on glass substrates, one in presence of oxygen plasma and other in oxygen environment (absence of plasma). Films were characterized using XRD, Raman spectroscopy, SEM and HRTEM. XRD studies revealed α-V{sub 2}O{sub 5} films (orthorhombic phase) with good crystallinity. However, film deposited in presence of plasma have higher peak intensities as compared to those deposited in absence of plasma. Raman studies also support these finding following same trends of considerable increase in intensity in case of film deposited in presence of plasma. SEM micrographs makes the difference more visible, as film deposited in plasma have well defined plate like structures whereas other film have not-clearly-defined petal-like structures. HRTEM results show orthorhombic phase with 0.39 nm interplanar spacing, as reported by XRD. Results are hereby in good agreement with each other.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1984

Sensitivity of airborne fluorosensor measurements to linear vertical gradients in chlorophyll concentration

A semianalytic Monte Carlo radiative transfer simulation model for airborne laser fluorosensors has been extended to investigate the effects of inhomogeneities in the vertical distribution of phytoplankton concentrations in clear seawater. Simulation results for linearly varying step concentrations of chlorophyll are presented. The results indicate that statistically significant differences can be seen under certain conditions in the water Raman-normalized fluorescence signals between nonhomogeneous and homogeneous cases. A statistical test has been used to establish ranges of surface concentrations and/or verticl gradients in which calibration by surface samples would by inappropriate, and the results are discussed.

Venable, D. D.↗