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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Electronic spectra of the tetraphenylcyclobutadienecyclopentadienylnickel(II) cation and radical

In this study, properties of the tetraphenylcyclobutadienecyclopentadienylnickel(II) cation 1 and its tetra-o-fluoro derivative 1a have been measured and calculated. The B3LYP/TZP optimized geometry of the free cation 1 agrees with a single-crystal X-ray diffraction structure except that in the crystal one of the phenyl substituents is strongly twisted to permit a close-packing interaction of two of its hydrogens with a nearby BF – 4 anion. The low-energy parts of the solution electronic absorption and magnetic circular dichroism (MCD) spectra of 1 and 1a have been interpreted by comparison with TD-DFT (B3LYP/TZP) results. Reduction or pulse radiolysis lead to a neutral 19-electron radical, whose visible absorption and MCD spectra have been recorded and interpreted as well. The reduction is facilitated by ~0.1 V upon going from 1 to 1a

14 SOLAR ENERGY↗
DOE OSTI2024

Archetype-based Redshift Estimation for the Dark Energy Spectroscopic Instrument Survey

We present a computationally efficient galaxy archetype-based redshift estimation and spectral classification method for the Dark Energy Survey Instrument (DESI) survey. The DESI survey currently relies on a redshift fitter and spectral classifier using a linear combination of principal component analysis–derived templates, which is very efficient in processing large volumes of DESI spectra within a short time frame. However, this method occasionally yields unphysical model fits for galaxies and fails to adequately absorb calibration errors that may still be occasionally visible in the reduced spectra. Our proposed approach improves upon this existing method by refitting the spectra with carefully generated physical galaxy archetypes combined with additional terms designed to absorb data reduction defects and provide more physical models to the DESI spectra. We test our method on an extensive data set derived from the survey validation (SV) and Year 1 (Y1) data of DESI. Our findings indicate that the new method delivers marginally better redshift success for SV tiles while reducing catastrophic redshift failure by 10%–30%. At the same time, results from millions of targets from the main survey show that our model has relatively higher redshift success and purity rates (0.5%–0.8% higher) for galaxy targets while having similar success for QSOs. These improvements also demonstrate that the main DESI redshift pipeline is generally robust. Additionally, it reduces the false-positive redshift estimation by 5%–40% for sky fibers. We also discuss the generic nature of our method and how it can be extended to other large spectroscopic surveys, along with possible future improvements.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS2001

Neutral Gas Temperature Estimates in an Inductively Coupled CF4 Plasma by Fitting Diatomic Emission Spectra

This work examines the accuracy of plasma neutral temperature estimates by fitting the rotational band envelope of different diatomic species in emission. Experiments are performed in an inductively coupled CF4 plasma generated in a Gaseous Electronics Conference reference cell. Visible and ultraviolet emission spectra are collected at a power of 300 W (approximately 0.7 W/cc) and pressure of 30 mtorr. The emission bands of several molecules (CF, CN, C2, CO, and SiF) are fit simultaneously for rotational and vibrational temperatures and compared. Four different rotational temperatures are obtained: 1250 K for CF and CN, 1600 K for CO, 1800 K for C2, and 2300 K for SiF. The vibrational temperatures obtained vary from 1750-5950 K, with the higher vibrational temperatures generally corresponding to the lower rotational temperatures. These results suggest that the different species have achieved different degrees of equilibration between the rotational and vibrational modes and may not be equilibrated with the translational temperatures. The different temperatures are also related to the likelihood that the species are produced by ion bombardment of the surface, with etch products like SiF, CO, and C2 having higher temperatures than species expected to have formed in the gas phase.

Cruden, Brett A.↗
DOE OSTI2014

TiO{sub 2} nanobelts photocatalysts decorated with Bi{sub 2}WO{sub 6} nanocrystals: Preparation and enhanced photocatalytic activity

Highlights: • TiO{sub 2} nanobelts decorated with Bi{sub 2}WO{sub 6} nanocrystals have been prepared. • The introduction of Bi{sub 2}WO{sub 6} nanocrystals can induce red-shift of absorption edge. • The Bi{sub 2}WO{sub 6}/TiO{sub 2} composites show higher photocatalytic activity than TiO{sub 2} nanobelts. • The Bi{sub 2}WO{sub 6}/TiO{sub 2} composites have long-time recyclable ability of photodegradation. - Abstract: In this paper, the controllable preparation of one-dimensional TiO{sub 2} nanobelts decorated with Bi{sub 2}WO{sub 6} nanocrystals based on Ti foils was reported using two-step hydrothermal treatment method. X-ray photoelectron spectroscopy measurement results exhibited the binding energy changes of Ti and O elements, implying the strong adhesion of Bi{sub 2}WO{sub 6} nanocrystals onto the surface of TiO{sub 2} nanobelts. The ultraviolet–visible (UV–vis) absorption spectra showed that the introduction of Bi{sub 2}WO{sub 6} nanocrystals could induce the red-shift of absorption edge and exhibited a broad absorption band in the visible region, which extended the scope of absorption spectrum and help to improve the photocatalytic degradation efficiency. The photocatalytic experiment results revealed that Bi{sub 2}WO{sub 6}/TiO{sub 2} composites possess higher photocatalytic activities toward methyl orange than pure TiO{sub 2} nanobelts. The degradation efficiency of 90% after 5 cycles indicated that the as-prepared composite photocatalysts exhibited excellent long-time recyclable ability for the degradation of contaminants.

36 MATERIALS SCIENCE↗
DOE OSTI2016

SU-F-J-46: Feasibility of Cerenkov Emission for Absorption Spectroscopy

Purpose: Cerenkov emission (CE) is a promising tool for online tumor microenvironment interrogation and targeting during radiotherapy. In this work, we utilize CE generated during radiotherapy as a broadband excitation source for real-time absorption spectroscopy. We demonstrate the feasibility of CE spectroscopy using a controlled experiment of materials with known emission/absorption properties. Methods: A water tank is irradiated with 20 MeV electron beam to induce Cerenkov emission. Food coloring dyes (Yellow #5, Red #40, and Blue #1), which have known emission/absorption properties were added to the water tank with increasing concentration (1 drop (0.05 mL), 2 drops, and 4 drops from a dispenser bottle). The signal is collected using a condensing lens which is coupled into a 20m optical fiber that is fed into a spectrometer that measures the emitted spectra. The resulting spectra from water/food coloring dye solutions were normalized by the reference spectrum, which is the Cerenkov spectrum of pure water, correcting for both the nonlinearity of the broadband Cerenkov emission spectrum as well as the non-uniform spectral response of the spectrometer. The emitted spectra were then converted into absorbance and their characteristics were analyzed. Results: The food coloring dye had a drastic change on the Cerenkov emission, shifting its wavelength according to its visible color. The collected spectra showed various absorbance peaks which agrees with tabulated peak positions of the dyes added within 0.3% for yellow, 1.7% for red, and 0.16% for blue. The CE peak heights proportionally increased as the dye concentration is increased. Conclusion: This work shows the potential for real-time functional spectroscopy using Cerenkov emission during radiotherapy. It was demonstrated that molecule identification as well as relative concentration can be extracted from the Cerenkov emission color shift.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

ZnO:SnO nanorods and nanosheets and their enhanced photocatalytic activity under visible light irradiation

ZnO-SnO nanocomposites were synthesized by a simple hydrothermal method. It was found that Sn concentration acted as a crucial factor in determining the morphology of ZnO-SnO nanostructures, in the presence of ethylenediamine (EDA) as a stabilizing agent. XRD analysis confirmed the formation of ZnO and SnO with good crystallinity. The morphological analysis revealed tin oxide (SnO) nanoparticles coated on the surface of ZnO nanorods and nanosheets. The photocatalytic activity of synthesized samples were evaluated by methylene blue (MB) as a model pollutant under visible light irradiation. Photocatalysis studies revealed that, ZnO-SnO nanocomposites show the enhanced photocatalytic activity compared to ZnO, which could be attributed to the formation of hetero-junction between ZnO and SnO of MB degradation. Sn concentration can extend the light absorption spectra of ZnO to visible light region and enhance the visible light photocatalytic activity. This research could provide new insights to the development of excellent photocatalyst with efficient performance for pollution control.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2010

Simultaneous Spectral Temporal Adaptive Raman Spectrometer - SSTARS

Raman spectroscopy is a prime candidate for the next generation of planetary instruments, as it addresses the primary goal of mineralogical analysis, which is structure and composition. However, large fluorescence return from many mineral samples under visible light excitation can render Raman spectra unattainable. Using the described approach, Raman and fluorescence, which occur on different time scales, can be simultaneously obtained from mineral samples using a compact instrument in a planetary environment. This new approach is taken based on the use of time-resolved spectroscopy for removing the fluorescence background from Raman spectra in the laboratory. In the SSTARS instrument, a visible excitation source (a green, pulsed laser) is used to generate Raman and fluorescence signals in a mineral sample. A spectral notch filter eliminates the directly reflected beam. A grating then disperses the signal spectrally, and a streak camera provides temporal resolution. The output of the streak camera is imaged on the CCD (charge-coupled device), and the data are read out electronically. By adjusting the sweep speed of the streak camera, anywhere from picoseconds to milliseconds, it is possible to resolve Raman spectra from numerous fluorescence spectra in the same sample. The key features of SSTARS include a compact streak tube capable of picosecond time resolution for collection of simultaneous spectral and temporal information, adaptive streak tube electronics that can rapidly change from one sweep rate to another over ranges of picoseconds to milliseconds, enabling collection of both Raman and fluorescence signatures versus time and wavelength, and Synchroscan integration that allows for a compact, low-power laser without compromising ultimate sensitivity.

Blacksberg, Jordana↗
NASA NTRS1994

High resolution visible to short-wave near-infrared CCD spectra of Mars during 1990

The 0.4 to 1.0 micron spectrum of Mars is dominated by a steep red, relatively featureless spectral slope. Earlier lower spectral observations interpreted the red color and the lack of absorption features in the spectra as evidence of poorly crystalline ferric oxide minerals. More recent higher spectral resolution observations and reinterpretations of older data sets have revealed measureable spectral structure, however. For example, absorption features near 0.65 and 0.86 micron were detected and spatially mapped in data obtained during the 1988 opposition. These absorptions were interpreted as evidence for crystalline hematite on Mars, occuring as an accessory phase in abundances of 3 to 6 percent in the soil. We are attempting to verify the existence of these subtle crystalline Fe(3+) absorption features and to map their spatial distribution in regions of the planet not imaged in 1988. During the 1990 opposition, we obtained imaging spectroscopic data of Mars from the University of Hawaii 2.24 m telescope at Mauna Kea Observatory. The data were obtained with the Wide Field Grism Spectrograph (WFGS), which uses an 800 x 800 CCD and a transmission grating ruled on a prism. We used a grating blazed at 4800 A in first order to obtain data from 0.50 to 0.94 micron at a spectral resolution of R = 200 to 350. The moon/Mars slit design used had projected dimensions of 0.29 x 153 inches, allowing for high spectral resolution and adequate cross-slit spatial sampling of the Martian disk.

Bell, James F., III↗
NASA NTRS1985

Airborne atmospheric electricity experiments

During the 1984 U2 spring flight program, lightning spectra were measured in the wavelengths from 380 nm to 900 nm with a temporal resolution of 5 ms. With this capability, researchers simultaneously acquired both visible near-infrared lightning spectra on a pulse to pulse basis, so that the spectral variability within a flash, as well as flash to flash variations, can be studied. Preliminary results suggest that important variations do occur, particularly in the strengths of the hydrogen and singly ionized nitrogen emission lines. Also, the results have revealed significant differences in the integrated energy distributions between the lightning spectra measured above clouds and the spectral measurements of cloud-to-ground lightning made at the ground. In particular, the ratio of the energy in the near-IR to that in the visible is around 1 to 2 for cloud top spectra versus about 1/3 for surface observations. Detailed analyses of the 1984 lightning spectral data is being conducted. This data should provide improved understanding about the optical transmission properties of thunderclouds and the physics of the lightning discharge process. Efforts continue on developing and testing background signal removal algorithms using U2 spectometer and optical array sensor day-flight data sets. The goal of this research is to develop an algorithm satisfying Lightning Mapper Sensor requirements.

Blakeslee, R. J.↗
DOE OSTI2014

Spectrally resolved intraband transitions on two-step photon absorption in InGaAs/GaAs quantum dot solar cell

Two-step photon absorption processes in a self-organized In{sub 0.4}Ga{sub 0.6}As/GaAs quantum dot (QD) solar cell have been investigated by monitoring the mid-infrared (IR) photoinduced modulation of the external quantum efficiency (ΔEQE) at low temperature. The first step interband and the second step intraband transitions were both spectrally resolved by scanning photon energies of visible to near-IR CW light and mid-IR pulse lasers, respectively. A peak centered at 0.20 eV corresponding to the transition to virtual bound states and a band above 0.42 eV probably due to photoexcitation to GaAs continuum states were observed in ΔEQE spectra, when the interband transition was above 1.4 eV, directly exciting wetting layers or GaAs spacer layers. On the other hand, resonant excitation of the ground state of QDs at 1.35 eV resulted in a reduction of EQE. The sign of ΔEQE below 1.40 eV changed from negative to positive by increasing the excitation intensity of the interband transition. We ascribe this to the filling of higher energy trap states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Studies of surface morphology and optical properties of ZnO nanostructures grown on different molarities of TiO{sub 2} seed layer

Titanium dioxide (TiO{sub 2}) seed layer was prepared by using sol-gel spin-coating technique, followed by growth of 0.01 M of Zinc oxide (ZnO) nanostructures by solution-immersion. The molarities of TiO{sub 2} seed layer were varied from 1.1 M to 0.100 M on glass substrates. The nanostructures thin films were characterized by Field Emission Scanning Electrons Microscope (FESEM), Photoluminescence (PL) spectroscopy and Ultraviolet-Visible (UV-Vis) spectroscopy. FESEM images demonstrate that needle-like ZnO nanostructures are formed on all TiO{sub 2} seed layer. The smallest diameter of needle-like ZnO nanostructures (90.3 nm) were deposited on TiO{sub 2} seed layer of 0.100 M. PL spectra of the TiO{sub 2}: ZnO nanostructures thin films show the blue shifted emissions in the UV regions compared to the ZnO thin film. Meanwhile, UV-vis spectra of films display high absorption in the UV region and high trasparency in the visible region. The highest absorbance at UV region was recorded for sample which has 0.100 M of TiO{sub 2} seed layer.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2017

Supercontinuum spectrum upon filamentation of laser pulses under conditions of strong and weak anomalous group velocity dispersion in transparent dielectrics

Using experiment and numerical simulation, we study the effect of anomalous group velocity dispersion (AGVD) on the formation of a visible supercontinuum band and light bullets arising in the course of filamentation of mid-IR femtosecond pulses in fused silica and fluorides. It is found that the anti-Stokes shift of the visible band increases with increasing energy of the pulse, the centre wavelength of which lies in the region of weak AGVD, and does not depend on this energy in the region of strong AGVD. A criterion is introduced for assessment of the AGVD ‘strength’, at which the stable visible supercontinuum band accompanies the formation of a robust light bullet in the mid-IR filament. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2003

Surface Material Analysis of the S-type Asteroids: Removing the Space Weathering Effect from Reflectance Spectrum

Recent years, many researchers have been observing a lot of asteroid reflectance spectra in the UV, visible to NIR at wavelength region. Reflectance spectroscopy of asteroid at this range should bring us a lot of information about its surface materials. Pyroxene and olivine have characteristic absorption bands in this wavelength range. Low-Ca pyroxene has two absorption bands around 0.9 microns and 1.9 microns. The more Ca and Fe content, the longer both absorption band centers. On the other hand, reflectance spectrum of olivine has three complicated absorption bands around 1 m, and no absorption feature around 2 microns. In general, reflectance spectra of many asteroids that are considered to be silicate rich (i.e., S- and A type asteroids) show redder slope and more subdued absorption bands than those of terrestrial minerals and meteorites. These features are now believed to be caused by the space weathering effect, which is probably caused by micrometeorite bombardment and/or solar wind. This process causes nanophase reduced iron (npFe(sup 0)) particles near the surface of mineral grains, which leads the optical change. Therefore, the space weathering effect should be removed from asteroid reflectance spectra to compare with those of meteorite and terrestrial minerals. In this report, we will apply the expanded modified Gaussian model (MGM) to the reflectance spectra of S-type asteroids 7 Iris and 532 Herculina and compare them with those of meteorites.

Ueda, Y.↗
DOE OSTI2015

Enhanced photoelectrochemical water splitting from Si quantum dots/TiO{sub 2} nanotube arrays composite electrodes

Graphical abstract: Si quantum dots were firstly applied to modify TiO{sub 2} nanotubes and enhanced visible light response was demonstrated for the resulted Si QDs/TiO{sub 2} nanocomposite. Si QDs are promising in photoelectrochemical water splitting and photocatalysis since their low cost, abundance and environmentally-friendliness. - Highlights: • A novel nanocomposite Si QDs/TiO{sub 2} nanotubes was fabricated and characterized. • Enhanced photoelectrochemical water splitting was firstly demonstrated for Si QDs/TiO{sub 2}. • The visible light response of TiO{sub 2} increased with the presence of Si QDs. - Abstract: This work firstly introduced Si quantum dots (QDs) to modify TiO{sub 2} nanotube arrays for photoelectrochemical water splitting. A systematic study using surface and optical characterization tools reveals the nature of the combination of Si QDs and TiO{sub 2} nanotube arrays. Scanning electron microscopy and X-ray photoelectron spectroscopy results show that Si QDs were assembled on the surface of vertically aligned TiO{sub 2} nanotube arrays. The UV–vis diffuse reflectance spectra indicate the improved visible light absorbance. The enhanced photoelectrochemical water splitting was demonstrated under visible light illumination and the photocurrent density was 1.6 times larger than that of pristine TiO{sub 2} electrodes. Electrochemical impedance behavior was measured for the electrodes and the impedance is slightly reduced for the nanocomposite electrode with the presence of Si QDs. This work demonstrated that Si QDs would be a novel and effective choice for improving the utilization of visible light for TiO{sub 2} nanotubes.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Heterojunction thin films based on multifunctional metal oxides for photovoltaic application

Metal oxides based multifunctional heterojunction thin films of ZnO/SnO{sub 2} and ZnO/SnO{sub 2}/CuO QDs were prepared by spin-coating technique. The crystallographic properties and the surface morphologies of the films were studied by X-ray diffraction (XRD) and scanning electron microscopy (SEM), respectively. The optical absorption studies revealed that the film thickness has considerable effect on the band gap values and is found to be in the range of 3.73–3.48 eV. The photoluminescence spectra showed several weak visible emission peaks related to the deep level defects (450-575 nm). Finally, the current density-voltage (J-V) characteristic of ZnO/SnO{sub 2}/CuO QDs (ZSCI) based heterojunction thin film coated on ITO is also reported.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Use of Solvatochromism to Assay Preferential Solvation of a Prototypic Catalytic Site

The composition of the reaction medium near photoactive catalytic sites can be inferred from the solvatochromism of the absorption and emission spectra of the wetted sites, which depend on the polarizability of the fluid. In brief, solvatochromism measures the interaction of the dipole moments of the ground and excited states with the electric field imposed by the solvent shell: a field, which does not relax on the time scale of the absorption or emission events. As a first step in establishing the utility of the technique for inorganic catalysts that operate in complex reaction media, such as encountered in the upgrading of biogenic fuels, we have measured the solvatochromism of a common, structural feature of metal oxide catalysts. In toluene, cyclohexene, chloroform and tetrahydrofuran, POSS-ligated oxometalates exhibit strong ligand-to-metal charge-transfer bands in their UV-visible absorption and emission spectra. The magnitudes of the solvatochromic effects agreed well with the calculated changes in dipole moments that accompany the electronic transitions. From the solvatochromism of the chromophores dissolved in toluene-chloroform mixtures we inferred an unexpectedly strong, preferential solvation of the chromophore even when all three components (oxometalate and the two solvents) were highly miscible. This research was supported in part by the Laboratory Directed Research & Development program at Pacific Northwest National Laboratory. PNNL is operated by Battelle for the US Department of Energy under contract DE-AC05-76RL01830. A portion of the research was performed at EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at PNNL.

chromium↗