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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 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Bi2O2(OH)NO3/AgI heterojunction with enhanced UV and visible-light responsive photocatalytic activity and mechanism investigation

Highlights: • Bi{sub 2}O{sub 2}(OH)NO{sub 3}/AgI heterojunction is obtained by in-situ crystallization method. • It shows a higher degradation activity than Bi{sub 2}O{sub 2}(OH)NO{sub 3} and AgI under UV light. • It shows a higher catalytic activity than Bi{sub 2}O{sub 2}(OH)NO{sub 3} and AgI under visible light. • Enhanced charge separation is responsible for the enhanced degradation activity. - Abstract: Fabricating heterojunction between a wide-band-gap semiconductor and a narrow-band-gap semiconductor has become an important strategy to simultaneously improve the photoabsorption and charge separation. In this work, a new heterojunction photocatalyst Bi{sub 2}O{sub 2}(OH)NO{sub 3}/AgI was prepared through a facile in-situ crystallization method under ambient atmosphere. The crystal morphology, surface structure and element distribution were investigated by scanning electron microscopy (SEM), transmission electron microscopy (TEM), energy dispersive X-ray (EDX) mapping and X-ray photoelectron spectroscopy (XPS). Compared with the pristine Bi{sub 2}O{sub 2}(OH)NO{sub 3} and AgI, Bi{sub 2}O{sub 2}(OH)NO{sub 3}/AgI shows much enhanced degradation performance for eliminating MO regardless of UV or visible light. Photocurrent, electrochemical impedance spectra (EIS) and photoluminescence (PL) demonstrated that the enhanced photocatalytic activity is ascribed to the greatly promoted charge separation and transfer resulted from the matchable band energy levels of Bi{sub 2}O{sub 2}(OH)NO{sub 3} and AgI, favoring the formation of heterojunction. In addition, according to the active species trapping experiment, the main active species are superoxide radicals (O{sub 2}{sup −}) and holes (h{sup +}) during the degradation process.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Reflection Spectra of Microarrays of Silicon Nanopillars

The optical-reflection spectra of microarrays of silicon nanopillars are studied in the visible and near-IR regions. The microarrays of silicon nanopillars are formed by electron-beam lithography and reactive ion etching. The reflection spectra of nanopillar arrays with pitches of 400, 600, 800, and 1000 nm are measured. The height of nanopillars in the array is 0.5 μm, and the diameter varies from 150 to 240 nm. It is noted that the spectral features of the reflection are caused by increased absorption of individual nanopillars and interference effects inside the array. A relation between the geometric parameters of nanopillars and the resonance reflection characteristics is determined taking into account the influence of the substrate.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS1983

The angular diameters, effective temperatures, radii, and luminosities of 10 Wolf-Rayet stars

The effective temperature of a normal star with an absorption-line spectrum is a parameter which represents the total amount of radiative energy emerging from each square centimeter of surface of the star. Effective temperatures have been obtained for 10 Wolf-Rayet stars by means of ultraviolet energies determined from high-resolution International Ultraviolet Explorer (IUE) spectra and energies determined from observations made in the visible range. It is essential to use high-resolution IUE spectra in order to resolve the continuum from many emission lines which are present, particularly shortward of 1900 A. The results confirm what was found earlier, namely that the effective temperatures of Wolf-Rayet stars are similar to those of early B stars. The effective temperature of the central star of the planetary nebula BD 30 deg 3639, HD 184738, is found to be 18,000 K.

Underhill, A. B.↗
NASA NTRS2003

Spectroscopy and Photometry of Mars Trojans

Mars is the only terrestrial planet known to have co-orbiting "Trojan" asteroids. We have obtained visible and near-IR reflectance spectra of three of these objects: 5261 Eureka and 1998 VF31 in the L5 region and 1999 UJ7 in the L4 region. We also obtained JHK spectrophotometry and a visible lightcurve for 5261 Eureka. The asteroid 5261 Eureka has a visible spectrum that is classified as Sr in the Bus taxonomy, and has infrared colors consistent with the A-class asteroids. The data for 1998 VF31 have a restricted wavelength range, but are most consistent with the Sr or Sa class, though we note a marginal consistency with the D class. We can rule out a C-class classification. 1999 UJ7 has an X-class or T-class spectrum, which is unlike that of the other two Mars Trojans. The photometric data for Eureka are limited, but we can constrain the period to longer than 5 hours (likely 5.556 hours) and lightcurve amplitude of at least 0.15 magnitude at this viewing geometry. The spectral differences among the Mars Trojans suggests that either they did not all form at their present solar distances or that they have not always been at their present sizes. 0 2003 Elsevier Inc. All rights reserved. Keywords: Asteroids; Asteroids, composition; Spectroscopy; Satellites of Mars

Rivkin, A. S.↗
NASA NTRS2003

Spectroscopy and Photometry of Mars Trojans

Mars is the only terrestrial planet known to have co-orbiting Trojan asteroids. We have obtained visible and near-IR reflectance spectra of three of these objects: 5261 Eureka and 1998 VF31 in the L5 region and 1999 UJ7 in the LA region. We also obtained JHK spectrophotometry and a visible lightcurve for 5261 Eureka. The asteroid 5261 Eureka has a visible spectrum that is classified as Sr in the Bus taxonomy, and has infrared colors consistent with the A-class asteroids. The data for 1998 VF31 have a restricted wavelength range, but are most consistent with the Sr or Sa class, though we note a marginal consistency with the D class. We can rule out a C-class classification. 1999 UJ7 has an X-class or T-class spectrum, which is unlike that of the other two Mars Trojans. The photometric data for Eureka are limited, but we can constrain the period to longer than 5 hours (likely 5.5-6 hours) and lightcurve amplitude of at least 0.15 magnitude at this viewing geometry. The spectral differences among the Mars Trojans suggests that either they did not all form at their present solar distances or that they have not always been at their present sizes.

Rivkin, A. S.↗
DOE OSTI2015

Remotely estimating photosynthetic capacity, and its response to temperature, in vegetation canopies using imaging spectroscopy

To date, the utility of ecosystem and Earth system models (EESMs) has been limited by poor spatial and temporal representation of critical input parameters. For example, EESMs often rely on leaf-scale or literature-derived estimates for a key determinant of canopy photosynthesis, the maximum velocity of RuBP carboxylation (Vcmax, μmol m –2 s –1 ). Our recent work (Ainsworth et al., 2014; Serbin et al., 2012) showed that reflectance spectroscopy could be used to estimate Vcmax at the leaf level. Here, we present evidence that imaging spectroscopy data can be used to simultaneously predict Vcmax and its sensitivity to temperature (E V ) at the canopy scale. In 2013 and 2014, high-altitude Airborne Visible/Infrared Imaging Spectroscopy (AVIRIS) imagery and contemporaneous ground-based assessments of canopy structure and leaf photosynthesis were acquired across an array of monospecific agroecosystems in central and southern California, USA. A partial least-squares regression (PLSR) modeling approach was employed to characterize the pixel-level variation in canopy V cmax (at a standardized canopy temperature of 30 °C) and E V , based on visible and shortwave infrared AVIRIS spectra (414–2447 nm). Our approach yielded parsimonious models with strong predictive capability for Vcmax (at 30 °C) and E V (R 2 of withheld data = 0.94 and 0.92, respectively), both of which varied substantially in the field (≥ 1.7 fold) across the sampled crop types. The models were applied to additional AVIRIS imagery to generate maps of V cmax and E V , as well as their uncertainties, for agricultural landscapes in California. The spatial patterns exhibited in the maps were consistent with our in-situ observations. As a result, these findings highlight the considerable promise of airborne and, by implication, space-borne imaging spectroscopy, such as the proposed HyspIRI mission, to map spatial and temporal variation in key drivers of photosynthetic metabolism in terrestrial vegetation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Comparing Sensor Fusion and Multimodal Chemometric Models for Monitoring U(VI) in Complex Environments Representative of Irradiated Nuclear Fuel

Optical sensors and chemometric models were leveraged for the quantification of uranium(VI) (0–100 μg mL –1 ), europium (0–150 μg mL –1 ), samarium (0–250 μg mL –1 ), praseodymium (0–350 μg mL –1 ), neodymium (0–1000 μg mL –1 ), and HNO 3 (2–4 M) with varying corrosion product (iron, nickel, and chromium) levels using laser fluorescence, Raman scattering, and ultraviolet–visible–near-infrared absorption spectra. In this paper, an efficient approach to developing and evaluating tens of thousands of partial least-squares regression (PLSR) models, built from fused optical spectra or multimodal acquisitions, is discussed. Each PLSR model was optimized with unique preprocessing combinations, and features were selected using genetic algorithm filters. The 7-factor D-optimal design training set contained just 55 samples to minimize the number of samples. The performance of PLSR models was evaluated by using an automated latent variable selection script. PLS1 regression models tailored to each species outperformed a global PLS2 model. PLS1 models built using fused spectra data and a multimodal (i.e., analyzed separately) approach yielded similar information, resulting in percent root-mean-square error of prediction values of 0.9–5.7% for the seven factors. Further, the optical techniques and data processing strategies established in this study allow for the direct analysis of numerous species without measuring luminescence lifetimes or relying on a standard addition approach, making it optimal for near-real-time, in situ measurements. Nuclear reactor modeling helped bound training set conditions and identified elemental ratios of lanthanide fission products to characterize the burnup of irradiated nuclear fuel. Leveraging fluorescence, spectrophotometry, experimental design, and chemometrics can enable the remote quantification and characterization of complex systems with numerous species, monitor system performance, help identify the source of materials, and enable rapid high-throughput experiments in a variety of industrial processes and fundamental studies.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2018

Rational Design of Dithienopicenocarbazole-Based Dyes and a Prediction of Their Energy-Conversion Efficiency Characteristics for Dye-Sensitized Solar Cells

Here, a series of metal-free organic donor-acceptor (D-A) derivatives (ME01-ME06) of the known dye C281 were designed using first principles calculations in order to evaluate their potential for applications in dye-sensitized solar cells (DSSCs). Their physical and electronic properties were calculated using density functional theory (DFT) and time-dependent density functional theory (TD-DFT). These include molecular properties that are required to assess the feasibility of a dye to function in DSSCs: UV/vis absorption spectra, light-harvesting efficiency (LHE), and driving forces of electron injection (Δ G inj ). ME01, ME02, and ME04 are predicted to exhibit broad absorption optical spectra that cover the entire visible range, rendering these three dyes promising DSSC prospects. Device-relevant calculations on these three short-listed dyes and the parent dye C281 were then performed, whereupon the dye molecules were adsorbed onto anatase TiO 2 surfaces to form the DSSC working electrode. Associated DSSC device characteristics of this dye…TiO 2 interfacial structure were determined. These include the light-harvesting efficiency, the number of injected electrons, the electron-injection lifetime, and the quantum energy alignment of the adsorbed dye molecule to that of its device components. In turn, these calculated parameters enabled the derivation of the DSSC device performance parameters: short-circuit current density, J SC , incident photon-to-electron conversion efficiency, IPCE, and open-circuit voltage, V OC . Thus, we demonstrate a systematic ab initio approach to screen rationally designed D-A dyes with respect to their potential applicability in high-performance DSSC devices.

14 SOLAR ENERGY↗
DOE OSTI2020

Role of Capping Agents in the Synthesis of Salicylate-Capped Zinc Oxide Nanoparticles

Capping agents are often used for controlling the size, aggregation, and properties of nanoparticles. To guide the design of improved nanomaterials for targeted performance, one can use mechanistic insights into the interactions between capping agents and nanoparticles. Here, we employ density functional theory (DFT), reactive force-field molecular dynamics (ReaxFF MD) simulations, and optical spectroscopy to study the interactions between salicylate, as a model capping agent, and zinc oxide (ZnO) nanoparticles. In this work, we find that salicylate strongly interacts with the nanoparticle via the formation of O–Zn bonds in a distorted six-membered coordination ring structure. We describe the mechanisms of capping of ZnO nanoparticles by salicylate via three different binding modes. Simulations indicate that salicylate undergoes dissociative adsorption at the highly active surface Zn sites via a hydrogen-transfer process, thereby forming a tridentate configuration. The water-mediated interaction also facilitates the dissociative adsorption, leading to two salicylate O atoms coordinating with a surface Zn atom, while the other salicylate O atom bonds with another surface Zn atom. For molecular adsorption, binding free energies indicate that salicylate binds more strongly to ZnO, often in a bidentate configuration, than water does. The formation of the salicylate–ZnO complex is substantiated by UV–visible and Fourier transform infrared spectra. We find that the C=O stretching mode of salicylate becomes softened when it interacts with the nanoparticle, suggesting chemisorption of salicylate on ZnO. Although DFT predicts strong interaction between salicylate and ZnO, ReaxFF MD simulation indicates the moderate interaction between these two components in aqueous solution. Water molecules in close contact with the nanoparticle surface undergo dissociation, thus resulting in a surface hydroxyl, a reactive oxygen species that may influence the nanoparticle’s catalytic properties. Overall, the atomic-level information provided here can guide the selection process of salicylate as an appropriate agent for ZnO nanoparticle synthesis when strong interactions of particles with capping agents are required.

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

Omnidirectional and broadband absorption enhancement from trapezoidal Mie resonators in semiconductor metasurfaces

Light trapping in planar ultrathin-film solar cells is limited due to a small number of optical modes available in the thin-film slab. A nanostructured thin-film design could surpass this limit by providing broadband increase in the local density of states in a subwavelength volume and maintaining efficient coupling of light. Here we report a broadband metasurface design, enabling efficient and broadband absorption enhancement by direct coupling of incoming light to resonant modes of subwavelength scale Mie nanoresonators defined in the thin-film active layer. Absorption was investigated both theoretically and experimentally in prototypes consisting of lithographically patterned, two-dimensional periodic arrays of silicon nanoresonators on silica substrates. A crossed trapezoid resonator shape of rectangular cross section is used to excite broadband Mie resonances across visible and near-IR spectra. Our numerical simulations, optical absorption measurements and photocurrent spectral response measurements demonstrate that crossed trapezoidal Mie resonant structures enable angle-insensitive, broadband absorption. A short circuit current density of 12.0 mA/cm 2 is achieved in 210 nm thick patterned Si films, yielding a 4-fold increase compared to planar films of the same thickness. As a result, it is suggested that silicon metasurfaces with Mie resonator arrays can provide useful insights to guide future ultrathin-film solar cell designs incorporating nanostructured thin active layers.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Voltage and temperature effects on low cobalt lithium-ion battery cathode degradation

Degradation of low cobalt lithium-ion cathodes was tested using a full factorial combination of upper cut-off voltage (4.0 V and 4.3 V vs. Li/Li + ) and operating temperature (25 °C and 60 °C). Half-cell batteries were analyzed with electrochemical and microstructural characterization methods. Electrochemical performance was assessed with galvanostatic cycling, cyclic voltammetry (CV), and electrochemical impedance spectroscopy (EIS) supported by distribution of relaxation times (DRT) analysis. Electrode microstructure was characterized with scanning electron microscopy (SEM), X-ray diffraction (XRD), and X-ray absorption near edge structure (XANES) imaging. Higher cut-off voltage cycling shows presence of NiO x formation, a low diffusivity rock-salt phase, in both CV and XRD data. XRD patterns confirmed that the rock-salt phase was beginning to form at the low cut-off voltage at high temperature, but in much lower intensity than at the high cut-off voltage. Higher temperature accelerates degradation processes at both voltages. Degradation factors at high temperature include NiO x formation, cathode material dissolution, and electrolyte decomposition. SEM analysis suggests that supporting phases may isolate and disconnect active material particles reducing capacity retention and battery life cycle. DRT analysis and XANES imaging show that both high temperature samples revealed a NiO x phase based on an increased diffusive impedance and a visible shift in the XANES spectra. The low cut-off voltage, high temperature sample showed a split peak and shift to lower energies indicating early formation of the NiO x phase. The diffusive impedance, which hinders intercalation and deintercalation, is driven by the formation of the NiO x phase. While primarily driven by cut-off voltage, elevated temperature also contributes to this degradation mechanism.

electrochemical impedance spectroscopy↗
DOE OSTI2016

The TANAMI Multiwavelength Program: Dynamic spectral energy distributions of southern blazars

Simultaneous broadband spectral and temporal studies of blazars are an important tool for investigating active galactic nuclei (AGN) jet physics. Aims. Here, we study the spectral evolution between quiescent and flaring periods of 22 radio-loud AGN through multiepoch, quasi-simultaneous broadband spectra. For many of these sources these are the first broadband studies. We also use a Bayesian block analysis of Fermi/LAT light curves to determine time ranges of constant flux for constructing quasi-simultaneous spectral energy distributions (SEDs). The shapes of the resulting 81 SEDs are described by two logarithmic parabolas and a blackbody spectrum where needed. The peak frequencies and luminosities agree well with the blazar sequence for low states with higher luminosity implying lower peak frequencies. This is not true for sources in high states. The γ-ray photon index in Fermi/LAT correlates with the synchrotron peak frequency in low and intermediate states. No correlation is present in high states. The black hole mass cannot be determined from the SEDs. Surprisingly, the thermal excess often found in FSRQs at optical/UV wavelengths can be described by blackbody emission and not an accretion disk spectrum. The so-called harder-when-brighter trend, typically seen in X-ray spectra of flaring blazars, is visible in the blazar sequence. Furthermore, our results for low and intermediate states, as well as the Compton dominance, are in agreement with previous results. Black hole mass estimates using recently published parameters are in agreement with some of the more direct measurements. For two sources, estimates disagree by more than four orders of magnitude, possibly owing to boosting effects. The shapes of the thermal excess seen predominantly in flat spectrum radio quasars are inconsistent with a direct accretion disk origin.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Spatial correlation between chemical and topological defects in vitreous silica: UV-resonance Raman study

A spatial correlation between chemical and topological defects in the tetrahedron network in vitreous silica produced by a fusion process of natural quartz crystals was found by synchrotron-based UV resonance Raman experiments. Furthermore, a quantitative correlation between these defects was obtained by comparing visible Raman and UV absorption spectra. These results indicate that in vitreous silica produced by the fusion process the topological defects disturb the surrounding tetrahedral silica network and induce further disorder regions with sub nanometric sizes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Enhanced reflection from inverse tapered nanocone arrays

We computationally and experimentally demonstrate enhanced reflection effects displayed by silicon-based inverted nanocone arrays. A 3D finite element model is used to characterize the optical properties of the nanocone arrays with respect to the change in polarization and incident angles. The nanocone arrays are fabricated by e-beam lithography in hexagonal and triangular geometries with a lattice constant of 300 nm. The fabricated devices show a two-fold increase in reflection compared with bare silicon surface, as well as a strong diffraction within the visible and near-infrared spectra. The nanocone arrays may find a variety of applications from optical devices to energy conservation technologies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Non-contact optoacoustic imaging with focused air-coupled transducers

Non-contact optoacoustic imaging employing raster-scanning of a spherically focused air-coupled ultrasound transducer is showcased herein. Optoacoustic excitation with laser fluence within the maximal permissible human exposure limits in the visible and near-infrared spectra is applied to objects with characteristic dimensions smaller than 1 mm and absorption properties representative of the whole blood at near-infrared wavelengths, and these signals are shown to be detectable without contact to the sample using an air-coupled transducer with reasonable signal averaging. Optoacoustic images of vessel-mimicking tubes embedded in an agar phantom captured with this non-contact sensing technique are also showcased. These initial results indicate that an air-coupled ultrasound detection approach can be suitable for non-contact biomedical imaging with optoacoustics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Physical and optical absorption studies of Fe{sup 3+} - ions doped lithium borate glasses containing certain alkaline earths

Iron ion doped lithium borate glasses with the composition 15RO-25Li{sub 2}O-59B{sub 2}O{sub 3}-1Fe{sub 2}O{sub 3} (where R= Ca, Sr and Ba) have been prepared by the conventional melt quenching technique and characterized to investigate the physical and optical properties using XRD, density, molar volume and UV-Visible spectroscopy. The optical absorption spectra exhibit a band at around 460 nm which is assigned to {sup 6}A{sub 1g}(S) → 4E{sub g} (G) of Fe{sup 3+} ions with distorted octahedral symmetry. From ultraviolet absorption edges, the optical band gap and Urbach energies have been evaluated. The effect of alkaline earths on these properties is discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Machine learning enhanced characterization and optimization of photonic cured MAPbI 3 for efficient perovskite solar cells

Photonic curing (PC) can facilitate high-speed perovskite solar cell (PSC) manufacturing because it uses high-intensity light pulses to crystallize perovskite films in milliseconds. However, optimizing PC conditions is challenging due to its many variables, and using power conversion efficiency (PCE) as the optimization metric is both time-consuming and labor-intensive. This work presents a machine learning (ML) approach to optimize PC conditions for fabricating methylammonium lead iodide (MAPbI 3 ) films by quantitatively comparing their ultraviolet-visible (UV-vis) absorbance spectra to thermal annealed (TA) films using four similarity metrics. We perform Bayesian optimization coupled with Gaussian process regression (BO-GP) to minimize the similarity metrics. Refining PC conditions using active learning based on BO-GP models, we achieve a PC MAPbI3 film with an absorbance spectrum closely matching a TA reference film, which is further verified by its crystalline and morphological properties. Thus, we demonstrate that the UV-vis absorption spectrum can accurately proxy film quality. Additionally, we use an AI-based segmentation model for a more efficient grain size analysis. However, when we use the optimized PC condition to fabricate PSCs, we find that interaction between MAPbI 3 and the hole transport layer (HTL) during PC critically degrades the PSC performance. By adding a buffer layer between the HTL and MAPbI 3 , the optimized PC PSCs produce a champion PCE of 11.8%, comparable to the TA reference of 11.7%. Using UV-vis similarity metrics instead of device PCE as the objective in our BO-GP method accelerates the optimization of PC processing conditions for MAPbI 3 films.

14 SOLAR ENERGY↗
DOE OSTI2018

DOSECALCX, A Bremsstrahlung Radiation Dose Code for Electron Beam Targets

The Dual-Axis Radiographic Hydrodynamic Test (DARHT) Facility is a two-axis, linear induction electron accelerator designed to produce Bremsstrahlung radiation for imaging hydrodynamic physics within rapidly compressed targets. The radiation dose code DOSECALC, used to obtain approximate results for experiments, was modified to include new materials and renamed DOSECALCX. Calculations were compared with results from the MCNP code. Photon spectra was found to agree visibly and quantitatively while angular dose data was only comparable within an order of magnitude.

43 PARTICLE ACCELERATORS↗