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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Evidence of Polaron Formation in Halide Perovskites via Carrier Effective Mass Measurements

Carrier effective mass is a central parameter in solid-state physics. It is a measure of the strength of the coupling between a carrier and excitations arising from its surrounding medium, and features prominently in transport and optical calculations. Experimental techniques employed to determine it are steady-state ones, and so are unable to detect any change in the effective mass after a strong perturbation to the system, e.g., strong optical excitation. By combining time-resolved terahertz spectroscopy and transient absorption spectroscopy, on a mixed-cation mixed-halide perovskite thin film, we observe a large and long-lived photoinduced enhancement of the carrier effective mass, and from it deduce a twofold increase of the carrier-phonon coupling constant, giving evidence of polaron formation. Our work demonstrates a new approach to track the strength and ultrafast lifetimes of photoinduced carrier-boson interactions down to picosecond timescales that can be applied to a wide range of solid-state systems.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Helical allophycocyanin nanotubes absorb far-red light in a thermophilic cyanobacterium

To compete in certain low-light environments, some cyanobacteria express a paralog of the light-harvesting phycobiliprotein, allophycocyanin (AP), that strongly absorbs far-red light (FRL). Using cryo–electron microscopy and time-resolved absorption spectroscopy, we reveal the structure-function relationship of this FRL-absorbing AP complex (FRL-AP) that is expressed during acclimation to low light and that likely associates with chlorophyll a–containing photosystem I. FRL-AP assembles as helical nanotubes rather than typical toroids due to alterations of the domain geometry within each subunit. Spectroscopic characterization suggests that FRL-AP nanotubes are somewhat inefficient antenna; however, the enhanced ability to harvest FRL when visible light is severely attenuated represents a beneficial trade-off. The results expand the known diversity of light-harvesting proteins in nature and exemplify how biological plasticity is achieved by balancing resource accessibility with efficiency.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Electrochemical Response of Alkaline Batteries Subject to Quasi-Static and Dynamic Loading

We report electrochemical changes were successfully monitored through the coupling of external loading, electrochemical impedance spectroscopy (EIS), and distribution of relaxation times (DRT) analysis. The development of the testing methods allows for detailed observation of changes due to mechanical loading and distinguishes responses between different cell geometries. Comparison of the force vs displacement, voltage vs displacement, and distribution of relaxation times plots to the different cell geometries display failure modes specific to geometry as well as the impact of different loading profiles. Numerical modeling confirmed the movement within individual cells and predicted locations with the most deformation based on the external loading condition applied. The results gathered from combining mechanical loading, electrochemical response, and numerical modeling, yield a viable approach to establishing an improved understanding of the effects of mechanical loading on the electrochemical response of multiple battery geometries and the methods herein may be extensible to additional battery chemistries.

25 ENERGY STORAGE↗
DOE OSTI2026

Non-Invasive Electrode Impedance Estimation for Optimized Charge Profile Parameterization of Lithium-Ion Batteries

This work presents a non-invasive method for parameterizing a physically motivated equivalent circuit model of lithium-ion batteries using operando electrochemical impedance spectroscopy and time-domain data. The proposed model consists exclusively of linear circuit elements, enabling computationally efficient simulation and real-time implementation on battery management system chips. By integrating frequency- and time-domain measurements, the model accurately estimates internal states such as the negative electrode potential, achieving a root mean square error of 12.3 mV during fast charging validation. Parameterization requires only rate tests with sinusoidal perturbations at three different ambient temperatures, making the approach experimentally accessible. The model reveals key insights into battery behavior, including rate-dependent overpotentials primarily governed by charge transfer kinetics at the positive electrode, and temperature-dependent impedance contributions from both charge transfer and solid-state diffusion processes. Validation using reference electrodes confirms the model’s ability to detect lithium plating onset and reproduce impedance behavior across a wide range of operating conditions. The approach enables in situ optimization of fast charging profiles and lays the foundation for future extensions incorporating aging effects and plating dynamics.

25 ENERGY STORAGE↗
DOE OSTI2021

TListSpectrum

TListSpectrum is a C++ class developed inside the CERN high-energy physics analysis C++ framework ROOT. This class structure was developed to assist in the processing, visualization, and analysis of list-mode or time-stamped radiation spectroscopy data. The class structure currently contains parsing and functionality to synthesize list-mode data from CAEN and Mirion Lynx radiation spectroscopy digital acquisition systems along with feature functionality to post-process data sets and build coincident data sets from the instrument.

Pierson, Bruce↗
DOE OSTI2022

Understanding Novel Lewis Acid Doping Mechanisms in Organic Semiconductors

Recent studies supported by this DOE grant have provided a more detailed understanding of the doping mechanism of organic semiconductors by the Lewis acid, tris(pentafluorophenyl)borane (BCF). Our studies have examined the intermolecular semiconductor-dopant interactions as well as the thermodynamic feasibility of different doping mechanisms. Most notably, we found a different proposed doping scheme is much more thermodynamically favoured (exergonic) than our proposed two-step BCF doping mechanism. The state-of-the-art experimental and theoretical techniques of High-Field Multi-Dimensional Solid State NMR spectroscopy and Time-Dependent Density Functional theory (TD-DFT) and DFT were employed in this work. The data obtained helped identify the structural details and intermolecular interactions which impact the organic semiconductor doping efficiency for BCF and how these compare to the case of doping by the standard integer charge transfer dopant molecule F 4 TCNQ. We have, for the first time, assigned specific chemical shift values for the F 4 TCNQ molecules clustered outside of polymer chains as well as those intercalated between the polymer backbones. Further, we provide theoretical support for a novel doping mechanism which combines those proposed in previous literature involving the evolution of hydrogen gas along with a doping species more complex than the simple BCF·H 2 O. While our previously proposed doping mechanism was found to be highly thermodynamically unfavorable, the formation of large anion [BCF(OH)(OH 2 )BCF]- is the key change making the proposed mechanism exergonic while the elimination of gaseous H 2 helps drive the doping reaction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Cross-Cutting Metrology Tools for In Operando Characterization of Carrier Dynamics in Photovoltaic Devices (Final Technical Report)

Understanding the nature of recombination and its dependence on defects and interfaces is essential for engineering materials and contacts for higher V oc and photovoltaic (PV) efficiency. Time-resolved photoluminescence (TRPL) has conventionally been used to evaluate recombination, but not all materials are strongly emissive or otherwise suitable. Time-resolved terahertz spectroscopy is a pump – probe method that presents valuable complementary information, wherein an optical pump pulse photoexcites carriers within the absorber and the transient photoconductivity is probed with a terahertz pulse. Until now, experimental constraints have prohibited the use of terahertz probes to interrogate full device stacks, and measurements were instead made on exfoliated films or films grown on unconventional substrates. However, interfaces are critical to the behavior of photoexcited carriers in solar cells, and the substrates themselves often influence the film growth and bulk properties. Therefore, it is important to probe the behavior of PV absorbers as close as possible to their normal operating conditions. Here we have developed cross-cutting metrology that enable in operando characterization of carrier dynamics and recombination mechanisms in working PV devices. Through a combination of complementary non-contact TRTS and TRPL experiments and modeling, we have obtained key parameters including photoexcited carrier bulk lifetime and interface and back surface recombination velocities with greater precision and accuracy than can be achieved with conventional TRPL alone. By varying pulsed photoexcitation conditions, the contributions of interface and bulk recombination mechanisms can be determined. We have developed and refined this characterization approach by investigating CdTe PVs, which is a well-established technology but with significant margin for further improvements in efficiency. Results were published in Journal of Applied Physics (DOI: 10.1063/5.0064730) and Proceedings of the IEEE PVSC (DOI: 10.1109/PVSC43889.2021.9518559). After validating the approach, we have applied it to correlate recombination rates to processing conditions and material properties, including composition and defects as well as interfaces and surface treatments. Such feedback can inform processing and design choices to enable higher PV efficiency, not only for CdTe, but also CdSe x Te 1-x , CIGS, perovskites, kesterites, and future technologies. A perspective on predicting solar cell performance from terahertz spectroscopy was published in Advanced Energy Materials (DOI: 10.1002/aenm.202102776). The cross-cutting metrology tools developed here will enable determination of the locus and mechanism of performance-limiting recombination in thin film PV devices. This feedback can guide the engineering of PV devices with higher V oc and efficiency, thereby leading to reductions in levelized cost of electricity to meet the SunShot 2030 target of $0.03/kWh for utility-scale PV. Lower costs will enable rapid expansion of renewable electricity generation that is nearly free of carbon emissions. Reducing carbon emissions of the electricity sector is one of the most important solutions to climate change. The project’s specific focus on CdTe PV can benefit First Solar, the US company that is the global leader in CdTe technology, through both technology and workforce development.

14 SOLAR ENERGY↗
DOE OSTI2025

Multiscale Nuclear-Electronic Orbital Quantum Dynamics in Complex Environments

Many renewable energy conversion processes rely on the movement of protons as well as electrons through either electrocatalysis or photoexcitation. The simulation of such processes requires a quantum mechanical description of coupled nuclear-electronic dynamics in a solvent or heterogeneous chemical environment. The overall objective of this project is the development of theoretical and computational capabilities for simulating nuclear-electronic quantum dynamics in complex environments and the creation of high-performance, open-source software. This multiscale framework will enable simulations of the real-time dynamics of nonequilibrium excited state proton-coupled electron transfer, quantum decoherence, vibronic energy transfer, and ultrafast radiolysis, as well as their associated time-resolved multidimensional spectroscopies. An important outcome of this project will be a sustainable, reusable, and interoperable open-source software ecosystem. This software will be designed for emerging exascale and future national leadership computers. Another key outcome will be a multiscale quantum dynamics method and software enabling simulations of nonequilibrium nuclear-electronic quantum dynamics in complex environments.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1985

Sounding rockets shot from the Shuttle

The Space Shuttle-launched sounding rocket Spartan-1 will map the structure of two extended X-ray sources: the hot gas pervading the Perseus cluster of galaxies, and the central core of the Milky Way. Spartan-1 contains two large X-ray proportional counter detectors sensitive to the 1-15 A wavelength range. A new generation of instruments destined for X-ray telescope focal planes will yield high resolution imaging and spectroscopy, over observation times sometimes exceeding one day/source, in the course of a long-term Spartan research program that will encompass planetary, solar, and UV astronomy missions.

Cruddace, R.↗
NASA NTRS1986

The Pinhole/Occulter as a tool for X-ray astronomy

The two X-ray transform telescopes on the Pinhole/Occulter Facility (P/OF) will provide sub-arcsecond angular resolution, high sensitivity imaging in hard X-rays for the first time, as well as improved capabilities for timing studies and spectroscopy. Although the design was driven by solar observing requirements, the result is an instrument of major importance for astronomical as well as solar observations. Fundamental astrophysical measurements could be made on supernova remnants, clusters of galaxies, active galaxy cores, accreting binary systems, and active coronae of nearby stars. Ways in which astronomical observations will benefit solar research are discussed.

Wood, K. S.↗
NASA NTRS1986

The Space Telescope imaging spectrograph

Preliminary performance goals for the Space Telescope Imaging Spectrograph (STIS), selected by NASA for definition study as a second generation instrument on the Hubble Space Telescope (HST) are outlined. The STIS is a 2-dimensional spectrograph that will operate from 1050A-11000A at the limiting HST spatial resolution of 0.05 arcsec FWHM, with spectral resolutions of 100, 1200, 20,000, and 100,000 and a maximum field-of-view of 50X50 arcsec. Its basic operating modes include echelle mode (like IUE), long slit mode (for simultaneous spectra at 1000 positions on the target), slitless spectrograph mode, coronographic spectroscopy, photon time-tagging, and direct imaging.

Gull, Theodore R.↗
NASA NTRS1986

Second generation spectrograph for the Hubble Space Telescope

The preliminary design for the Space Telescope Imaging Spectrograph (STIS), which has been selected by NASA for definition study for future flight as a second-generation instrument on the Hubble Space Telescope (HST), is presented. STIS is a two-dimensional spectrograph that will operate from 1050 A to 11,000 A at the limiting HST resolution of 0.05 arcsec FWHM, with spectral resolutions of 100, 1200, 20,000, and 100,000 and a maximum field-of-view of 50 x 50 arcsec. Its basic operating modes include echelle model, long slit mode, slitless spectrograph mode, coronographic spectroscopy, photon time-tagging, and direct imaging. Research objectives are active galactic nuclei, the intergalactic medium, global properties of galaxies, the origin of stellar systems, stelalr spectral variability, and spectrographic mapping of solar system processes.

Woodgate, B. E.↗
NASA NTRS1988

Optical emission diagnostics of electron cyclotron resonance and glow discharge plasmas for a-Si:H and a-SiC:H film depositions

It is demonstrated that the steady-state and kinetic characteristics of ECR (electron cyclotron resonance) and RF glow discharge plasmas can be readily monitored by OES (optical emission spectroscopy) in real time during a-Si:H and a-SiC:H film depositions using an OMA detection system. The ECR and RF glow discharge plasmas used for a-Si:H and a-SiC:H film depositions were studied by monitoring the emission of SiH(asterisk), H(asterisk), H(asterisk)2, and CH(asterisk) excited states. The OES of the ECR plasma shows a strong emission at 434 nm from H(asterisk), which is not detectable in the glow discharge plasma. Steady-state OES studies have established preliminary correlations between SiH(asterisk) and CH(asterisk) emission intensities and the film deposition rate. Transient OES spectra of SiH4 and CH4 plasmas have shown different kinetics in SiH(asterisk) and CH(asterisk) emission intensities. Transient studies of the SiH(asterisk) emission intensity have indicated that additional mechanisms for producing the SiH(asterisk) species become evident in hydrogen-diluted silane plasmas.

Yang, C. L.↗
NASA NTRS1993

Optical and near infrared photometry of Butcher-Oemler clusters

Rich clusters of galaxies at moderate redshifts (z approx. .3) have a larger proportion of optically blue galaxies than their low redshift counterparts. Spectroscopic examination of the blue galaxies by various authors has shown that the blue galaxies are generally Seyferts, show evidence for recent star formation, or are foreground objects. Unfortunately, spectroscopy is too time consuming to be used on large samples. Thus, we have looked for a way to separate Seyferts, starbursts, ellipticals and nonmembers using photometry alone. Five moderate redshift clusters, Abell numbers 777, 963, 1758, 1961 and 2218, have been observed in the V, R and K bands. We model the spectral energy distributions of various kinds of galaxies found in clusters and derive observed colors. We have modeled the spectral energy distributions (SED) of several kinds of galaxies and compute their colors as a function of redshift. We expect to see ellipticals, spirals, starbursts, post-starburst and Seyfert galaxies. The SED of elliptical and Sbc galaxies was observed by Rieke and Rieke. The SEDs for the starburst galaxies was created by adding a reddened 10(exp 8) year old burst to a spiral galaxy SED. The post-starburst (E+A) galaxy SEDs are composed of a slightly reddened 10(exp 9) year old burst and elliptical galaxy SED. SEDs for the Seyferts were created by adding a v(exp -1.1) power law, and a hot dust thermal spectrum to the Sbc. From the SEDs the colors of galaxies at various redshifts with assorted filters were computed. Lilly & Gunn (1985) have optical and infrared photometry for a sample of galaxies in CL0024+1654 observed spectroscopically by Dressler, Gunn and Schneider (1985). We have used this data to choose the most appropriate SEDs for our starburst and post-starburst models. The most likely explanation for the optically blue colors in most cluster galaxies is star formation. Very few galaxies lie in the Seyfert locus. Abel 1758 has more Seyfert candidates than the other clusters, we observed. It seems possible to roughly sort types of galaxies in clusters by color alone. The cluster population seems to vary considerably between clusters, but our K selected sample has few Seyferts in any cluster.

Shier, Lisa M.↗
NASA NTRS1994

Optical, IUE, and ROSAT observations of the eclipsing nova-like variable V347 Puppis (LB 1800)

Using time-resolved optical spectroscopy and UBVRI and high-speed photometry obtained at Mount Stromlo Observatory, Mount John University Observatory, and the South African Astronomical Observatory; International Ultraviolet Explorer (IUE) ultraviolet spectroscopy; and Roentgen Satellite (ROSAT) survey X-ray fluxes, we present a study of the accretion disk, hot spot, and emission line regions in the bright eclipsing nova-like variable V347 Pup (LB 1800). In the optical and UV, V347 Pup is a strong emission line source with a continuum spectrum which is remarkably red for a high-M cataclysmic variable. Consistent with its high inclination, we interpret the continuum spectrum as the superposition of the spectrum of the cool (T(sub eff) approximately 7000 K) outer edge and the hot (T(sub eff) approximately 100,000 K) inner regions of a self-eclipsed accretion disk. For the assumed parameters, the model matches the level and shape of the observed spectrum for an inclination of approximately 88 and a distance of approximately 300 pc. The prominent hump in the optical and UV light curves just before eclipse manifests the presence of the hot spot where the accretion stream strikes the edge of the disk. The wavelength dependence of the amplitude of the hump is best modeled by a spot having an effective temperature of approximately 25,000 K and an area of approximately 3 x 10(exp 18) sq cm if the spot radiates like a blackbody, or an effective temperatue of approximately 14,000 K and an area of approximately 3 x 10(exp 19) sq cm if it radiates with a stellar spectrum. In either case, the hot spot produces only one-tenth of the predicted luminosity for the assumed mass-transfer rate of 10(exp -8) solar mass/yr. Either the hot spot is 'buried' in the edge of the accretion disk, or a significant fraction of its luminosity is radiated away in lines. The difference in azimuth between the peak of the hump and the dynamically expected location of the hot spot suggests that the spot's emitting surface is rotated forward by approximately 36 deg relative to the edge of the disk.

Mauche, Christopher W.↗
NASA NTRS1994

The ultraviolet pulsations of the cataclysmic variable AE Aquarii as observed with the Hubble Space Telescope

We present the results of high time resolution UV spectroscopy and simultaneous high-speed UBVR photometry of AE Aqr. The UV spectra were obtained with the Faint Object Spectrograph aboard the Hubble Space Telescope (HST), and the photometry was carried out with the 82 sec telescope at McDonald Observatory. Our study focuses on the coherent 33 sceond oscillations, whose amplitude is found to be very large in the UV (40% of the mean quiescent level). The mean pulse profile has two broad unequal peaks spaced by half an oscillation cycle. The pulse profiles in the UV and optical bands appear quite similar in shape, with no discernible shifts. The orbital delay curve of the UV pulses establishes the white dwarf as their origin. The (UV+optical) spectrum of the pulsations is well described by a white dwarf atmosphere model with a temperature of about 26,000 K. We find no oscillations in the UV emission-line fluxes, nor in their velocities, down to a limit of 800 km/s. Based on the properties of the UV and optical pulsations we suggest that they originate in the X-ray heated magnetic polar caps of the white dwarf. Under this assumption we produce maximum entropy maps of the brightness distribution of the white dwarf surface. Using this model we are able to reproduce the observed mean pulse profile and interpret fluctuations in the oscillation amplitude as small fluctuations in the accretion rate. We find that the amplitudes and profiles of the pulses are not strongly affectd by the large aperiodic flares exhibited by the system. This suggests that the large flares are not related to the process of depositing material onto the white dwarf and argues against models that place their origin at the white dwarf magnetosphere.

Eracleous, Michael↗
NASA NTRS1997

Thermochemistry and Kinetics of the Cl+O2 Association Reaction

Laser flash photolysis of Cl2/O2 mixtures has been employed in conjunction with Cl((sup 2)P(sub 3/2)) detection by time-resolved fluorescence spectroscopy to investigate equilibration kinetics for the reactions Cl + O2 + O is in equilibrium with ClOO + O2 at temperatures of 181-200 K and O2 pressures of 15-40 Torr. The third-order rate coefficient for the association reaction at 186.5 +/- 5.5 K is (8.9 +/- 2.9) x 10(exp -33) cm(exp 6) molecule(exp -2) s(exp -1) and the equilibrium constant (K(p)) at 185.4 K is 18.9 atm(exp -1) (factor of 1.7 uncertainty). A third law analysis of our data leads to a value for the Cl-OO bond dissociation energy of 4.76 +/- 0.49 kcal mol(exp -1).

Nicovich, J. M.↗