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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 1,405 records · Page 78
All sourcesNASA NTRSDOE OSTI
NASA NTRS1982

Neutral hydrogen emission and absorption in three active Irr II galaxies

Peak optical H I absorption depths of 10% are found in a neutral hydrogen emission-absorption study of the active-nucleus Irr II galaxies NGC 520, 5363, and 5506. It is suggested that the absorption is due to a few standard clouds within several hundred parsecs of the nucleus, in the narrow-line emission region. The width of the absorption features is interpreted as being due to random motions of the gas within the absorbing clouds, in contrast to the large widths of the emission features that are due to the overall rotation of the galaxy.

Thuan, T. X.↗
DOE OSTI2016

Synthesis of Cu{sub 2}ZnSnS{sub 4} nanoparticles and controlling the morphology with polyethylene glycol

Highlights: • Cu{sub 2}ZnSnS{sub 4} nanoparticles were synthesized by wet chemical technique. • First report on the effect of using polyethylene glycol as a structure directing agent on Cu{sub 2}ZnSnS{sub 4} nanoparticles. • The morphology of Cu{sub 2}ZnSnS{sub 4} nanoparticles changes into nanoflakes and nanorods structures with polyethylene glycol concentration. • Polyethylene glycol assisted Cu{sub 2}ZnSnS{sub 4} nanoparticle film exhibits optical bandgap of 1.5 eV which is suitable for the application in solar cells. - Abstract: Cu{sub 2}ZnSnS{sub 4} nanoparticles were synthesized by wet chemical technique using metal thiourea precursor at 250 °C. The structural and morphological properties of as grown nanoparticles have been characterized by X-ray diffraction, Raman spectroscopy, scanning electron microscopy and transmission electron microscopy. The influence of different concentration of polyethylene glycol as structure directing agent on the morphologies of Cu{sub 2}ZnSnS{sub 4} nanoparticles are investigated on thin films deposited by spin coating technique. The mean crystallite size of the Cu{sub 2}ZnSnS{sub 4} nanoparticles was found to improve with polyethylene glycol concentration. Scanning electron microscopy images of Cu{sub 2}ZnSnS{sub 4} revealed aggregated spherical shaped nanoparticles whereas the polyethylene glycol assisted Cu{sub 2}ZnSnS{sub 4} nanoparticle films show nanoflakes and nanorods structures with increasing concentration of polyethylene glycol. Transmission electron microscopy analysis has also been performed to determine the size and structure of nanorods. UV–vis absorption spectroscopy shows the broad band absorption with optical bandgap of 1.50 eV for polyethylene glycol assisted Cu{sub 2}ZnSnS{sub 4} films.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Polarized XANES Monitors Femtosecond Structural Evolution of Photoexcited Vitamin B 12

Ultrafast, polarization-selective time-resolved X-ray absorption near-edge structure (XANES) was used to characterize the photochemistry of vitamin B 12 , cyanocobalamin (CNCbl), in solution. Cobalamins are important biological cofactors involved in methyl transfer, radical rearrangement, and light-activated gene regulation, while also holding promise as light-activated agents for spatiotemporal controlled delivery of therapeutics. We introduce polarized femtosecond XANES, combined with UV–visible spectroscopy, to reveal sequential structural evolution of CNCbl in the excited electronic state. Femtosecond polarized XANES provides the crucial structural dynamics link between computed potential energy surfaces and optical transient absorption spectroscopy. Polarization selectivity can be used to uniquely identify electronic contributions and structural changes, even in isotropic samples when well-defined electronic transitions are excited. Our XANES measurements reveal that the structural changes upon photoexcitation occur mainly in the axial direction, where elongation of the axial Co–CN bond and Co–N Im bond on a 110 fs time scale is followed by corrin ring relaxation on a 260 fs time scale. In conclusion, these observations expose features of the potential energy surfaces controlling cobalamin reactivity and deactivation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Effects of interlayer screening and temperature on dielectric functions of graphene by first-principles

The dielectric functions of few-layer graphene and the related temperature dependence are investigated from the atomic scale using first-principles calculations. Compared with ellipsometry experiments in the spectral range of 190–2500 nm, the normalized optical constants of mono-layer graphene demonstrate good agreement and further validate first-principles calculations. To interpret dielectric function of mono-layer graphene, the electronic band structure and density of states are analyzed. By comparing dielectric functions of mono-, bi-, and tri-layer graphene, it shows that interlayer screening strengthens intraband transition and greatly enhances the absorption peak located around 1 eV. The strengthened optical absorption is intrinsically caused by the increasing electron states near the Fermi level. To investigate temperature effect, the first-principles calculations and lattice dynamics are combined. The lattice vibration enhances parallel optical absorption peak around 1 eV and induces redshift. Moreover, it is observed that the van der Waals force plays a key role in keeping the interlayer distance stable during dynamics simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2017

The MERRA-2 Aerosol Reanalysis, 1980 Onward. Part II: Evaluation and Case Studies

The Modern-Era Retrospective Analysis for Research and Applications, Version 2 (MERRA-2) is NASA’s latest reanalysis for the satellite era (1980-present) using the Goddard Earth Observing System version 5 (GEOS-5) Earth system model. MERRA-2 provides several improvements over its predecessor (MERRA), including the inclusion of interactive aerosols for the entire period. In addition to assimilating bias-corrected Aerosol Optical Depth (AOD) from the Moderate Resolution Imaging Spectroradiometer (MODIS) on the Terra and Aqua satellites, it also includes the assimilation of bias-corrected AOD from Advanced Very High Resolution Spectroradiometer (AVHRR) instruments, Multi-angle Imaging SpectroRadiometer (MISR) AOD over bright surfaces, and ground-based Aerosol Robotic Network (AERONET) AOD. This paper is the second of a pair that summarizes our efforts to assess the quality of the MERRA-2 aerosol assimilation. In this study, we first follow previous work performed with version 1 of the MERRA Aerosol Reanalysis (MERRAero) using independent observations. The evaluation of MERRA-2 Absorption Aerosol Optical Depth (AAOD) and ultra-violet Aerosol Index (UV-AI) against the Ozone Monitoring Instrument (OMI) observations show good agreement, particularly over dusty regions where our previous efforts improved model aerosol optical properties. Next, we find that aerosol assimilation system improves the aerosol vertical structure when compared to estimates from the same version of the model without AOD assimilation. A similar conclusion is found for MERRA-2 aerosol surface fine particulate matter (PM (sub 2.5)). However, deficiencies in the forward model such as missing emissions noted during the MERRAero study still explain the MERRA-2 PM(sub 2.5) bias relative to observations over the United States. Finally, to illustrate successes and weaknesses of the AOD assimilation, we focus on the performance of the MERRA-2 aerosol system during several major aerosol events: the Mount Pinatubo eruption in 1991, a Saharan dust event and transportation over the Atlantic Ocean during April 2010, the Rim Fire of summer 2013 in California, and an extreme pollution event over China in January 2013. We conclude with a summary that points to best practices for utilizing the MERRA-2 aerosol reanalysis in future studies.

V Buchard↗
DOE OSTI2024

Reconciling calculations and measurements of inverse bremsstrahlung absorption

It was recently shown that the use of Coulomb logarithms appropriate for bremsstrahlung radiation (rather than transport processes) along with corrections for the Langdon effect and ion screening reproduced measurements of collisional absorption in well-characterized underdense plasmas [D. Turnbull et al., Phys. Rev. Lett. 130, 145103 (2023)]. However, it was recognized at the time that the use of the standard absorption-reduction factor from Langdon's seminal paper was inconsistent with the use of Coulomb logarithms that are thermally averaged over a Maxwellian electron-velocity distribution function. A more accurate approach would be to average over the expected super-Gaussian distribution function while accounting for the Gaunt factor's velocity dependence, which somewhat mitigates the Langdon effect; however, at that time, this theory matched the data less well. This conflict is now eliminated with the additional insight that the ionization state of our mid-Z ion species (when present) was lower than had been assumed, as evidenced by the Thomson-scattering data and time-dependent Cretin simulations. We are now able to show that an improved treatment of the Langdon effect provides the best match to data. Otherwise, the prior conclusions remain unchanged. We also show an example of the substantial expected impact to the absorption rate in calculations of indirect-drive hohlraums.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Faraday effect in collisional magnetized plasmas

Faraday rotation is a valuable diagnostic tool for investigating laboratory and astrophysical plasmas, but it has almost exclusively been treated in the collisionless limit (despite the non-negligible role of Coulomb collisions in many laboratory plasmas). Here, we show that Faraday rotation can occur in collisional plasmas and that the usual effect is curiously altered by collisions. Namely, an initially linearly polarized light wave—propagating parallel to a uniform magnetic field—becomes elliptically polarized in the collisional plasma, and collisional absorption of the wave also occurs. Moreover, the ellipticity and rotation angle are quantifiably sensitive to the fidelity of the collisional transport coefficients. As we will demonstrate with particle-in-cell EPOCH simulations, these effects offer a stringent diagnostic tool for benchmarking multi-scale plasma simulation codes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Illuminating the Role of Alcohol Substrate in Nickel Photoredox Catalysis via Ground State and Transient Absorption Spectroscopy

Direct excitation of nickel photocatalysts has gained popularity over the last several years following the successful activation of nickel by Ir and Ru photosensitizers. The ability to pair these photosensitizers with Ni catalysts facilitates the formation of crucial chemical bonds under relatively mild conditions. However, there are still gaps in our understanding of what influences the performance of these Ni photocatalysts. Previous work from our group identified a nickel photocatalyst supported by a tridentate pyridinophane ligand that undergoes wavelength-dependent cross-coupling reactivity. Herein, we report detailed studies of the wavelength dependence of the C–O cross-coupling reactivity, illustrating that the catalytic activity has an optimal wavelength, and excitation on both the blue and red sides of this optimal wavelength leads to a reduction in product yield. We also reveal a crucial catalyst-alcohol preirradiation interaction that drastically alters the catalyst’s optical properties. Furthermore, we investigate both wavelength dependency and alcohol dependency via optical transient absorption spectroscopy and reveal a substrate binding process responsible for the observed wavelength-dependent cross-coupling catalysis.

alcohol↗
DOE OSTI2022

Quantum efficiency of InGaN–GaN multi-quantum well solar cells: Experimental characterization and modeling

InGaN-based multi-quantum well (MQW) solar cells are promising devices for photovoltaics (e.g., for tandem solar cells and concentrator systems), space applications, and wireless power transfer. In order to improve the efficiency of these devices, the factors limiting their efficiency and stability must be investigated in detail. Due to the complexity of a MQW structure, compared with a simple pn junction, modeling the spectral response of these solar cells is not straightforward, and ad hoc methodologies must be implemented. In this paper, we propose a model, based on material parameters and closed-formula equations, that describes the shape of the quantum efficiency of InGaN/GaN MQW solar cells, by taking into account the layer thickness, the temperature dependence of the absorption coefficient, and quantum confinement effects. We demonstrate (i) that the proposed model can effectively reproduce the spectral response of the cells; in addition, (ii) we prove that the bulk p-GaN layer absorbs radiation, but the carriers photogenerated in this region do not significantly contribute to device current. Finally, we show that (iii) by increasing the temperature, there is a redshift of the absorption edge due to bandgap narrowing, which can be described by Varshni law and is taken into account by the model, and a lowering in the extraction efficiency due to the increase in recombination (mostly Shockley–Read–Hall) inside the quantum wells, which is also visible by decreasing light intensity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Charge transfer states impact the triplet pair dynamics of singlet fission polymers

Polymers are desirable optoelectronic materials, stemming from their solution processability, tunable electronic properties, and large absorption coefficients. An exciting development is the recent discovery that singlet fission (SF), the conversion of a singlet exciton to a pair of triplet states, can occur along the backbone of an individual conjugated polymer chain. Here, compared to other intramolecular SF compounds, the nature of the triplet pair state in SF polymers remains poorly understood, hampering the development of new materials with optimized excited state dynamics.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2017

Localization landscape theory of disorder in semiconductors. II. Urbach tails of disordered quantum well layers

Urbach tails in semiconductors are often associated to effects of compositional disorder. The Urbach tail observed in InGaN alloy quantum wells of solar cells and LEDs by biased photocurrent spectroscopy is shown to be characteristic of the ternary alloy disorder. The broadening of the absorption edge observed for quantum wells emitting from violet to green (indium content ranging from 0% to 28%) corresponds to a typical Urbach energy of 20 meV. A three-dimensional absorption model is developed based on a recent theory of disorder-induced localization which provides the effective potential seen by the localized carriers without having to resort to the solution of the Schrödinger equation in a disordered potential. This model incorporating compositional disorder accounts well for the experimental broadening of the Urbach tail of the absorption edge. For energies below the Urbach tail of the InGaN quantum wells, type-II well-to-barrier transitions are observed and modeled. This contribution to the below-band-gap absorption is particularly efficient in near-ultraviolet emitting quantum wells.When reverse biasing the device, the well-to-barrier below-band-gap absorption exhibits a red-shift, while the Urbach tail corresponding to the absorption within the quantum wells is blue-shifted, due to the partial compensation of the internal piezoelectric fields by the external bias. The good agreement between the measured Urbach tail and its modeling by the localization theory thus demonstrates the applicability of the latter to compositional disorder effects in nitride semiconductors.

14 SOLAR ENERGY↗
DOE OSTI2019

Thermoluminescence and phototransferred thermoluminescence dosimetry on mobile phone protective touchscreen glass

Thermoluminescence and phototransferred thermoluminescence measurements of protective glass from smartphones are described. Samples of Gorilla Glass were examined from nine different manufacturers and 40 different phone models. Additionally, 12 glasses believed to be original equipment manufacturer replacements, as well as three glass samples from U.S. finishers, were also studied. Altogether, 99 different Gorilla Glass samples were examined. The radiation-induced thermoluminescence signal produced glow curve shapes specific to the Gorilla Glass generations and could be used to distinguish between them. A background thermoluminescence (and phototransferred thermoluminescence) signal was found in all unirradiated samples. Its intensity and shape were found to be dependent on the Gorilla Glass generation, phone manufacturer, and phone model. The background signal was demonstrated to be produced by ultraviolet light exposure; the shape of the background signal was able to be reproduced by the combined exposure to a broad-spectrum solar simulator and a 302 nm ultraviolet light source. The background signal intensity was found to vary with the location from which it was taken on the glass. It was also found to be dependent on the depth within the Gorilla Glass due to absorption of the ultraviolet light as it traversed the medium. Removal of the glasses’ surface layers was found to be an inadequate method for removing the background signal. In some samples, the background signal intensity was large enough to significantly contribute to the total thermoluminescence (and phototransferred thermoluminescence) signal; therefore, a matrix deconvolution method was introduced to separate the background signal and radiation-induced signal. This method was found to enable dose reconstruction using the radiation-induced signal alone.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2015

Sensitivity enhancement of surface thermal lens technique with a short-wavelength probe beam: Experiment

Surface thermal lens is a highly sensitive photothermal technique to measure low absorption losses of various solid materials. In such applications, the sensitivity of surface thermal lens is a key parameter for measuring extremely low absorption. In this paper, we experimentally investigated the influence of probe beam wavelength on the sensitivity of surface thermal lens for measuring the low absorptance of optical laser components. Three probe lasers with wavelength 375 nm, 633 nm, and 1570 nm were used, respectively, to detect the surface thermal lens amplitude of a highly reflective coating sample excited by a cw modulated Gaussian beam at 1064 nm. The experimental results showed that the maximum amplitude of surface thermal lens signal obtained at corresponding optimized detection distance was inversely proportional to the wavelength of the probe beam, as predicted by previous theoretical model. The sensitivity of surface thermal lens could, therefore, be improved by detecting surface thermal lens signal with a short-wavelength probe beam.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

Applicability of the thin-film approximation in terahertz photoconductivity measurements

Thin mesoporous photoconductive layers are critically important for efficient water-spitting solar cells. A detailed understanding of photoconductivity in these materials can be achieved via terahertz transient absorption measurements. Such measurements are commonly interpreted using the thin-film approximation. We compare this approximation with a numerical solution of the transfer function without approximations using experimental results for thin-film mesoporous tin oxide (SnO 2 ) samples which range in thickness from 3.3 to 12.6 µm. These samples were sensitized with either a ruthenium polypyridyl complex or a porphyrin dye. The two sensitizers have markedly different absorption coefficients, resulting in penetration depths of 15 µm and 1 µm, respectively. The thin-film approximation results are in good agreement with the numerical work-up for the short penetration length dye. For the longer penetration length samples, the thin-film formula fails even for thicknesses of only 3 µm ≈ λ/100. The imaginary part of the conductivity calculated using the thin-film formula was significantly larger in magnitude than the value without approximations. This discrepancy between the commonly used thin-film approximation and the numerical solution demonstrates the need for a careful analysis of the thin-film formula.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Strain tuning of excitons in monolayer WSe 2

Here, we investigate excitonic absorption and emission in monolayer (1L) WSe 2 under tensile strain. We observe a redshift of 100 meV in the A exciton energy and a decrease of 25 meV in its estimated binding energy under 2.1% strain. Surprisingly, the linewidth of the A exciton decreases by almost a factor of two under strain, from 42 to 24 meV at room temperature. We explain this effect as the result of suppression of phonon-mediated exciton scattering channels. We show that such a suppression results from the relative shift under strain of a secondary valley in the conduction band that is nearly degenerate with the K valley where the A exciton is formed.

2-dimensional systems↗
NASA NTRS1998

Study of the effects of MeV Ag, Cu, Au, and Sn implantation on the optical properties of LiNbO3

The authors present the results of characterization of linear absorption and nonlinear refractive index of Au, Ag, Cu and Sn ion implantation into LiNbO3. Ag was implanted at 1.5 MeV to fluences of 2 to 17 x 17(exp 16)/sq cm at room temperature. Au and Cu were implanted to fluences of 5 to 20 x 10(exp 16)/sq cm at an energy of 2.0 MeV. Sn was implanted to a fluence of 1.6 x 10(exp 17)/sq cm at 160 kV. Optical absorption spectrometry indicated an absorption peak for the Au implanted samples after heat treatment at 1,000 C at approx. 620 nm. The Ag implanted samples absorption peaks shifted from approx. 450 nm before heat treatment to 550 nm after 500 C for 1h. Heat treatment at 800 C returned the Ag implanted crystals to a clear state. Cu nanocluster absorption peaks disappears at 500 C. No Sn clusters were observed by optical absorption or XRD. The size of the Ag and Au clusters as a function of heat treatment were determined from the absorption peaks. The Ag clusters did not change appreciably in size with heat treatment. The Au clusters increased from 3 to 9 nm diameter upon heat treatment at 1000 C. TEM analysis performed on a Au implanted crystal indicated the formation of Au nanocrystals with facets normal to the c-axis. Measurements of the nonlinear refractive indices were carried out using the Z-scan method with a tunable dye laser pumped by a frequency doubled mode-locked Nd:YAG laser. The dye laser had a 4.5 ps pulse duration time and 76 MHz pulse repetition rate (575 nm).

Williams, E. K.↗
DOE OSTI2022

The Gaussian nature of the band-edge of ZnO microcrystalline thin films

A straightforward analytical approach based on the derivative of the absorption coefficient is presented, which enables probing the nature of the band edge (BE) of ZnO microcrystalline films. The study was conducted via transmission experiments at temperatures of 77–532 K and repeated for samples annealed up to 1073 K. It was found that the derivative of the natural log of the BE absorption coefficient resulted in a Gaussian function. The Gaussian linewidth is used in the electron–phonon (e–p) interaction model to characterize the defect-state of the films. The BE of the as-grown film was found to exhibit no thermal dependence and no e–p coupling, indicative of a disordered crystal. Upon annealing and improvement of the film quality, the thermal phonons became more activated, but only above room temperature with a phonon energy of ~75 meV, while up to room temperature, the impact of phonons on the BE is insignificant. A disorder–order transition was determined to take place at an annealing temperature of ~673 K. X-ray diffraction concurs with these results. The study indicates that the prevalent defects are of structural nature due to the inherent granular morphology of the films. This defect was found to dominate the behavior of the BE even at the elevated temperature regime rather than thermal phonons.

36 MATERIALS SCIENCE↗