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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 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Influence of QD photosensitizers in the photocatalytic production of hydrogen with biomimetic [FeFe]-hydrogenase. Comparative performance of CdSe and CdTe

Photocatalytic systems comprising a hydrogenase-type catalyst and CdX (X = S, Se, Te) chalcogenide quantum dot (QD) photosensitizers show extraordinary hydrogen production rates under visible light excitation. What remains unknown is the mechanism of energy conversion in these systems. In this work, we have explored this question by comparing the performance of two QD sensitizers, CdSe and CdTe, in photocatalytic systems featuring aqueous suspensions of a [Fe 2 (μ-1,2-benzenedithiolate) CO 6 ] catalyst and an ascorbic acid sacrificial agent. Overall, the hydrogen production yield for CdSe-sensitized reactions QDs was found to be 13 times greater than that of CdTe counterparts. According to emission quenching experiments, an enhanced performance of CdSe sensitizers reflected a greater rate of electron transfer from the ascorbic acid (k Asc ). The observed difference in the QD-ascorbic acid charge transfer rates between the two QD materials was consistent with respective driving forces for these systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Measurement of 3 Λ H production in Pb–Pb collisions at √ s NN = 5.02 TeV

The first measurement of 3 Λ H and $^{3}_{\overline{Λ}}$$\overline{H}$ differential production with respect to transverse momentum and centrality in Pb–Pb collisions at √ s NN = 5.02 TeV is presented. The 3 Λ H has been reconstructed via its two-charged-body decay channel, i.e., 3 Λ H → 3 He → π - . A Blast-Wave model fit of the p T -differential spectra of all nuclear species measured by the ALICE collaboration suggests that the kinetic freeze-out surface is consistent with that of other nuclei. The ratio between the integrated yields of 3 Λ H and 3 He is compared to predictions from the statistical hadronisation model and the coalescence model, with the latter being favoured by the presented measurements.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Molecular Modifications of Crystalline Poly(triazine imide) for Advancing Its Structure–Property Relationships in Light-Driven Catalysis

Carbon-nitride materials represent light-absorbing structures composed of earth-abundant elements capable of being leveraged for semiconductor photocatalysis at their surfaces. This study systematically investigates the addition of molecular modifiers to the synthesis of crystalline carbon nitrides to assess their effects on the materials’ structure, optical bandgap, and photocatalytic activity for hydrogen (H 2 ) and oxygen (O 2 ) evolution under ultraviolet and visible-light irradiation. Melamine and five pyrimidine-centered analogs were employed as building blocks to modify various heteroatoms within the polymeric framework. The modified materials were characterized with attention to the differences introduced by the monomeric modifiers and their influence on the resulting structures and compositions. The findings indicate that these changes significantly broaden the visible-light absorption range, albeit with the gradual loss of the bulk crystalline structure. As the loading of modifiers increased beyond 50%, a predominantly amorphous form of carbon nitride emerged. XPS, 13 C solid-state NMR, and SEM analyses corroborated the changes, which were attributed to modifications of the elemental composition and a reduced amount of Li cations and charge-balancing Cl anions owing to fewer binding sites in the intralayer cavities. In photocatalytic measurements under an ultraviolet 390 nm LED, and aided by photodeposited nanoparticle cocatalysts, the unmodified PTI-LiCl framework demonstrated the highest H 2 evolution rate (HER; 3.44 mmol·g –1 ·h –1 ) with an apparent quantum yield of 5.4%, along with total water splitting at rates of 163 μmol of H 2 ·g –1 ·h –1 and 75.6 μmol·O 2 g –1 ·h –1 . While PTI-LiCl showed trace activity under a visible-light 440 nm LED, all modified materials exhibited enhanced reactivity with as low as 5% molecular modifiers. The photocatalytic rates peaked at a 15% modification level when using 2,4,6-triaminopyrimidine, with rates of 33 μmol·g –1 ·h –1 for HER, along with 19.7 μmol of H 2 ·g –1 ·h –1 and 8.7 μmol of O 2 ·g –1 ·h –1 for total water splitting. Density functional theory calculations were used to probe electronic structure changes resulting from the modifications. Furthermore, these results elucidate the structural, optical, and electronic changes arising from the five selected molecular modifiers and their impact on the semiconductors’ photocatalytic properties.

Electrical conductivity↗
DOE OSTI2024

Reductive Dynamic and Static Excited State Quenching of a Homoleptic Ruthenium Complex Bearing Aldehyde Groups

A new homoleptic Ru polypyridyl complex bearing two aldehyde groups on each bipyridine ligand, [Ru(dab) 3 ](PF 6 ) 2 , where dab is 4,4′-dicarbaldehyde-2,2′-bipyridine, was synthesized, characterized, and utilized for iodide photo-oxidation studies. In acetonitrile (CH 3 CN) solution, the complex displayed an intense metal-to-ligand charge transfer (MLCT) absorbance maximum at 475 nm (ε = 22,000 M –1 cm –1 ) and an infrared (IR) band at 1712 cm –1 assigned to the pendent aldehyde groups. Visible light excitation in air-saturated solution resulted in room temperature photoluminescence (PL) with a maximum at 675 nm, a quantum yield, ϕ PL = 0.048, and an excited state lifetime, τ ο = 440 ns, from which radiative and nonradiative relaxation rate constants were extracted, k r = 9.1 × 10 4 s –1 and knr = 1.8 × 10 6 s –1 . Pulsed visible light excitation yielded transient UV–vis and IR absorption spectra consistent with an MLCT excited state; relaxation occurred with the maintenance of two isosbestic points in the visible region, and a lifetime that agreed with that measured by time-resolved PL. Cyclic voltammetry studies in a CH 3 CN solution with 0.1 M TBAPF 6 electrolyte revealed a quasi-reversible oxidation, E°(Ru III/II ) = +1.25 V vs. Fc +/0 , and three sequential one-electron reductions at −1.10, −1.25, and −1.54 V vs. Fc +/0 . Here, an excited state reduction potential of E°(Ru *2+/+ ) = +0.89 V vs. Fc +/0 was estimated with the Rehm–Weller expression. Titration of tetrabutylammonium iodide, TBAI, into a CD 3 CN solution of [Ru(dab) 3 ](PF 6 ) 2 resulted in significant shifts in the aldehyde H atom and 3,3′-biypridyl resonances that were analyzed with a 1:1 equilibrium model, from which K eq = 460 M –1 was extracted, increasing to 5800 M –1 when the solvent was changed to acetone-d 6 . Iodide titrations resulted in a significant quenching of the [Ru(dab) 3 ] *2+ lifetime and quantum yield in both CH 3 CN and acetone solvents. In CH 3 CN, the quenching was mainly dynamic and well described by the Stern–Volmer model, from which a quenching rate constant, k q , of 4.5 × 10 10 M –1 s –1 and an equilibrium constant, K eq , of 8.3 × 10 3 M –1 were obtained. In acetone, the static quenching pathway by iodide was greatly enhanced, with a K eq of 1.2 × 10 4 M –1 and a higher k q of 9.2 × 10 10 M –1 s –1 .

Aldehydes↗
DOE OSTI2024

Accelerated Nano-Optical Imaging through Sparse Sampling

The integration time and signal-to-noise ratio are inextricably linked when performing scanning probe microscopy based on raster scanning. This often yields a large lower bound on the measurement time, for example, in nano-optical imaging experiments performed using a scanning near-field optical microscope (SNOM). Here, in this study, we utilize sparse scanning augmented with Gaussian process regression to bypass the time constraint. We apply this approach to image charge-transfer polaritons in graphene residing on ruthenium trichloride (α-RuCl 3 ) and obtain key features such as polariton damping and dispersion. Critically, nano-optical SNOM imaging data obtained via sparse sampling are in good agreement with those extracted from traditional raster scans but require 11 times fewer sampled points. As a result, Gaussian process-aided sparse spiral scans offer a major decrease in scanning time.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Gap states and valley-spin filtering in transition metal dichalcogenide monolayers

The magnetically induced valley-spin filtering in transition metal dichalcogenide monolayers ($\textit{MX}_2$, where $\textit{M}$ = Mo, W and X = S, Se, Te) promises a new paradigm in information processing. However, the detailed understanding of this effect is still limited, regarding its underlying transport processes. As such, herein it is suggested that the filtering mechanism can be greatly elucidated by the concept of metal-induced gap states (MIGS), appearing in the electrode-terminated $\textit{MX}_2$ materials, i.e., the referential filter setup. In particular, the gap states are predicted here to mediate valley- and spin-resolved charge transport near the ideal electrode/$\textit{MX}_2$ interface, and therefore to initiate filtering. It is also argued that the role of MIGS increases when the channel length is diminished, as they begin to govern the overall valley-spin transport in the tunneling regime. In what follows, the presented study yields fundamental scaling trends for the valley-spin selectivity with respect to the intrinsic physics of the filter materials. As a result, it facilitates insight into the analyzed effects and provides design guidelines toward efficient valley-spin filter devices that are based on the discussed materials or other hexagonal monolayers with a broken inversion symmetry.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1982

High density Schottky barrier IRCCD sensors for SWIR applications at intermediate temperature

Monolithic 32 x 64 and 64 x 1:128 palladium silicide (Pd2Si) interline transfer infrared charge coupled devices (IRCCDs) sensitive in the 1 to 3.5 micron spectral band were developed. This silicon imager exhibits a low response nonuniformity of typically 0.2 to 1.6% rms, and was operated in the temperature range between 40 to 140 K. Spectral response measurements of test Pd2Si p-type Si devices yield quantum efficiencies of 7.9% at 1.25 microns, 5.6% at 1.65 microns 2.2% at 2.22 microns. Improvement in quantum efficiency is expected by optimizing the different structural parameters of the Pd2Si detectors. The spectral response of the Pd2Si detectors fit a modified Fowler emission model. The measured photo-electric barrier height for the Pd2Si detectors is 0.34 eV and the measured quantum efficiency coefficient, C1, is 19%/eV. The dark current level of Pd2Si Schottky barrier focal plane arrays (FPAs) is sufficiently low to enable operation at intermediate temperatures at TV frame rates. Typical dark current level measured at 120 K on the FPA is 2 nA/sq cm. The operating temperature of the Pd2Si FPA is compatible with passive cooler performance. In addition, high density Pd2Si Schottky barrier FPAs are manufactured with high yield and therefore represent an economical approach to short wavelength IR imaging. A Pd2Si Schottky barrier image sensor for push-broom multispectral imaging in the 1.25, 1.65, and 2.22 micron bands is being studied. The sensor will have two line arrays (dual band capability) of 512 detectors each, with 30 micron center-to-center detector spacing. The device will be suitable for chip-to-chip abutment, thus providing the capability to produce large, multiple chip focal planes with contiguous, in-line sensors.

Elabd, H.↗
NASA NTRS1996

Demonstration and Analysis of Filtered Rayleigh Scattering Flow Field Diagnostic System

Filtered Rayleigh Scattering (FRS) is a diagnostic technique which measures velocity, temperature, and pressure by determining Doppler shift, total intensity, and spectral line shape of laser induced Rayleigh-Brillouin scattering. In the work reported here, this is accomplished by using a narrow line width, injection seeded Nd-YAG laser sheet to induce Rayleigh-Brillouin scattering from a gas flow. This light is passed through an optical notch filter, and transmitted light is imaged onto an intensified charge coupled display (CCD) camera. By monitoring the grayscale value at a particular pixel while the laser frequency is tuned, the convolution between the Rayleigh-Brillouin scattering profile and the filter transmission profile is attained. Since the filter profile can be independently measured, it can be deconvolved from the measuring signal, yielding the Rayleigh-Brillouin scattering profile. From this profile, flow velocity, temperature, and pressure are determined. In this paper the construction and characterization of the optical notch filter and a newly developed frequency apparatus are discussed.

Forkey, Joseph N.↗
NASA NTRS1997

Protein Crystal Movements and Fluid Flows During Microgravity Growth

The growth of protein crystals suitable for X-ray crystal structure analysis is an important topic. The methods of protein crystal growth are under increasing study whereby different methods are being compared via diagnostic monitoring including Charge Coupled Device (CCD) video and interferometry. The quality (perfection) of protein crystals is now being evaluated by mosaicity analysis (rocking curves) and X-ray topographic images as well as the diffraction resolution limit and overall data quality. Choice of a liquid-liquid linear crystal growth geometry and microgravity can yield a spatial stability of growing crystals and fluid, as seen in protein crystallization experiments on the unmanned platform EURICA. A review is given here of existing results and experience over several microgravity missions. The results include CCD video as well as interferometry during the mission, followed, on return to earth, by rocking curve experiments and full X-ray data collection on LMS and earth control lysozyme crystals. Diffraction data recorded from LMS and ground control apocrustacyanin C(sub 1) crystals are also described.

Boggon, Titus J.↗
DOE OSTI2025

Revealing the roles of the solid–electrolyte interphase in designing stable, fast-charging, low-temperature Li-ion batteries

Designing the solid–electrolyte interphase (SEI) is critical for stable, fast-charging, low-temperature Li-ion batteries. Fostering a “fluorinated interphase,” SEI enriched with LiF, has become a popular design strategy. Although LiF possesses low Li-ion conductivity, many studies have reported favorable battery performance with fluorinated SEIs. Such a contradiction suggests that optimizing SEI must extend beyond chemical composition design to consider spatial distributions of different chemical species. In this work, we demonstrate that the impact of a fluorinated SEI on battery performance should be evaluated on a case-by-case basis. Sufficiently passivating the anode surface without impeding Li-ion transport is key. We reveal that a fluorinated SEI containing excessive and dense LiF severely impedes Li-ion transport. In contrast, a fluorinated SEI with well-dispersed LiF (i.e., small LiF aggregates well mixed with other SEI components) is advantageous, presumably due to the enhanced Li-ion transport across heterointerfaces between LiF and other SEI components. An electrolyte, 1 M LiPF 6 in 2-methyl tetrahydrofuran (2MeTHF), yields a fluorinated SEI with dispersed LiF. This electrolyte allows anodes of graphite, μSi/graphite composite, and pure Si to all deliver a stable Coulombic efficiency of 99.9% and excellent rate capability at low temperatures. Pouch cells containing layered cathodes also demonstrate impressive cycling stability over 1,000 cycles and exceptional rate capability down to −20 °C. Through experiments and theoretical modeling, we have identified a balanced SEI-based approach that achieves stable, fast-charging, low-temperature Li-ion batteries.

25 ENERGY STORAGE↗
NASA NTRS2008

Characterizing ISS Charging Environments with On-Board Ionospheric Plasma Measurements

Charging of the International Space Station (ISS) is dominated by interactions of the biased United States (US) 160 volt solar arrays with the relatively high density, low temperature plasma environment in low Earth orbit. Conducting surfaces on the vehicle structure charge negative relative to the ambient plasma environment because ISS structure is grounded to the negative end of the US solar arrays. Transient charging peaks reaching potentials of some tens of volts negative controlled by photovoltaic array current collection typically occur at orbital sunrise and sunset as well as near orbital noon. In addition, surface potentials across the vehicle structure vary due to an induced v x B (dot) L voltage generated by the high speed motion of the conducting structure across the Earth's magnetic field. Induced voltages in low Earth orbit are typically only approx.0.4 volts/meter but the approx.100 meter scale dimensions of the ISS yield maximum induced potential variations ofapprox.40 volts across the vehicle. Induced voltages are variable due to the orientation of the vehicle structure and orbital velocity vector with respect to the orientation of the Earth's magnetic field along the ISS orbit. In order to address the need to better understand the ISS spacecraft potential and plasma environments, NASA funded development and construction of the Floating Potential Measurement Unit (FPMU) which was deployed on an ISS starboard truss arm in August 2006. The suite of FPMU instruments includes two Langmuir probes, a plasma impedance probe, and a potential probe for use in in-situ monitoring of electron temperatures and densities and the vehicle potential relative to the plasma environment. This presentation will describe the use of the FPMU to better characterize interactions of the ISS with the space environment, changes in ISS charging as the vehicle configuration is modified during ISS construction, and contributions of FPMU vehicle potential and plasma environment measurements to investigations of on-orbit anomalies in ISS systems.

Minow, Jospeh I.↗
DOE OSTI2023

Multiple-core-hole resonance spectroscopy with ultraintense X-ray pulses

Understanding the interaction of intense, femtosecond X-ray pulses with heavy atoms is crucial for gaining insights into the structure and dynamics of matter. One key aspect of nonlinear light–matter interaction was, so far, not studied systematically at free-electron lasers—its dependence on the photon energy. Here, we use resonant ion spectroscopy to map out the transient electronic structures occurring during the complex charge-up pathways of xenon. Massively hollow atoms featuring up to six simultaneous core holes determine the spectra at specific photon energies and charge states. We also illustrate how different X-ray pulse parameters, which are usually intertwined, can be partially disentangled. The extraction of resonance spectra is facilitated by the possibility of working with a constant number of photons per X-ray pulse at all photon energies and the fact that the ion yields become independent of the peak fluence beyond a saturation point. Our study lays the groundwork for spectroscopic investigations of transient atomic species in exotic, multiple-core-hole states that have not been explored previously.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Energy dependence of polarized 𝛾⁢𝛾 → 𝑒 + ⁢ 𝑒− in peripheral Au+Au collisions at $\sqrt{s_{NN}}$ = 54.4 and 200 GeV with the STAR experiment at RHIC

We report the differential yields at mid-rapidity of the Breit-Wheeler process (𝛾⁢𝛾 → 𝑒 + ⁢𝑒 − ) in peripheral Au+Aucollisions at $\sqrt{s_{NN}}$ = 54.4 and 200 GeV with the STAR experiment at the Relativistic Heavy Ion Collider (RHIC), as a function of energy $\sqrt{s_{NN}}$, 𝑒 + ⁢𝑒 − transverse momentum 𝑝 T , 𝑝$^{2}_{T}$, invariant mass 𝑀 𝑒⁢𝑒 , and azimuthal angle. In the invariant mass range of 0.4 < 𝑀 𝑒⁢𝑒 < 2.6GeV/𝑐 2 at low transverse momentum (𝑝 T < 0.15GeV/𝑐), the yields increase while the pair √⟨𝑝$^{2}_{T}$⟩ decreases with increasing $\sqrt{s_{NN}}$, a feature that is correctly predicted by the QED calculation. Here, the energy dependencies of the measured quantities are sensitive to the nuclear form factor, infrared divergence and photon polarization. The data are compiled and used to extract the charge radius of the Au nucleus.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1982

Doppler line profiles measurement of the Jovian Lyman Alpha emission with OAO-C

Observation of Jupiter made with the high resolution ultraviolet spectrometer of the Orbiting Astronomical Observatory copernicus in April and May, 1980, yield a Jovian Lyman alpha emission intensity of 7 + or 2.5 RR. This indicates a decrease by about a factor of two since the Voyager ultraviolet spectrometer measurements, nearly a year earlier. An unusually high column abundance of hydrogen atoms above the methane homopause at the Voyager epoch is indicated. Since the auroral charged particle bombardment of molecular hydrogen is expected to contribute significantly to the global population of the hydrogen atoms, it is suggested that at the time of the Voyager Jupiter encounter unusually high auroral activity existed, perhaps d to the high concentration of the Io plasma torus. The temporal variation of the Saturn lyman alpha emission, when contrasted with the Jovian data, reveals that the auroral processes are not nearly as important in determining the Saturn Lyman alpha intensity in the nonauroral region.

Barker, E. S.↗
NASA NTRS1992

Approximate Solutions Of Equations Of Steady Diffusion

Rigorous analysis yields reliable criteria for "best-fit" functions. Improved "curve-fitting" method yields approximate solutions to differential equations of steady-state diffusion. Method applies to problems in which rates of diffusion depend linearly or nonlinearly on concentrations of diffusants, approximate solutions analytic or numerical, and boundary conditions of Dirichlet type, of Neumann type, or mixture of both types. Applied to equations for diffusion of charge carriers in semiconductors in which mobilities and lifetimes of charge carriers depend on concentrations.

Edmonds, Larry D.↗
NASA NTRS1993

Progress report on the ultra heavy cosmic ray experiment (AO178)

The Ultra Heavy Cosmic Ray Experiment (UHCRE) is based on a modular array of 192 side-viewing solid state nuclear track detector stacks. These stacks were mounted in sets of four in 48 pressure vessels employing sixteen peripheral Long Duration Exposure Facility (LDEF) trays. The extended duration of the LDEF mission has resulted in a greatly enhanced scientific yield from the UHCRE. The geometry factor for high energy cosmic ray nuclei, allowing for Earth shadowing, was 30 sq m-sr, giving a total exposure factor of 170 sq m-sr-y at an orbital inclination of 28.4 degrees. Scanning results indicate that about 3000 cosmic ray nuclei in the charge region with Z greater than 65 were collected. This sample is more than ten times the current world data in the field (taken to be the data set from the HEAO-3 mission plus that from the Ariel-6 mission) and is sufficient to provide the world's first statistically significant sample of actinide (Z greater than 88) cosmic rays. Results to date are presented including details of ultra-heavy cosmic ray nuclei, analysis of pre-flight and post-flight calibration events and details of track response in the context of detector temperature history. The integrated effect of all temperature and age related latent track variations cause a maximum charge shift of +/- 0.8 e for uranium and +/- 0.6 e for the platinum-lead group. The precision of charge assignment as a function of energy is derived and evidence for remarkably good charge resolution achieved in the UHCRE is considered. Astrophysical implications of the UHCRE charge spectrum are discussed.

Thompson, A.↗
DOE OSTI2022

High Rate Sodium Storage Mechanisms in Non-Graphitic Carbons

Lithium ion batteries (LIBs) have been commercialized as electrical energy storage devices in many common applications. Unlike lithium, sodium (Na) is both easy to find and is inexpensive, with wide supplies of precursors available on land and from salt water through desalination. Hybrid sodium ion capacitors and dedicated high power sodium ion batteries (NIBs) are emerging extremely fast charge time systems that employ two-dimensional carbon electrodes to store the charge. They are finding use in regenerative braking energy storage for cars, busses and public rail. To date, fast charge storage mechanisms in two-dimensional carbons are not understood. This combined experimental – simulation research will provide new fundamental insight into these unexplored but essential aspects of Na storage. A range of carbon structures and chemistries will be analyzed using advanced methods, including neutron scattering and first principles simulation. This work will yield the first new series of scientific insights on where in the carbon structure the Na ions reside and on their transport characteristics.

25 ENERGY STORAGE↗
DOE OSTI2022

Surface Doping Boosts Triplet Generation Yield in Perovskite-Sensitized Upconversion

Triplet–triplet annihilation-based photon upconversion (TTA-UC) can efficiently generate higher energy photons at low relative fluences. Bulk metal halide perovskites have offered promise in efficiently sensitizing molecular triplet states in the solid state, necessary for the integration of TTA-UC into device-based applications. Recent work focused on TTA-UC from a rubrene triplet annihilator sensitized by perovskite thin films has established relatively efficient charge extraction from the perovskite, forming the triplet exciton in rubrene. Yet, the specifics underpinning charge transfer at the perovskite/rubrene interface are not fully elucidated. Here, to improve device performance and study the properties governing charge transfer at the interface, various organic solvents are explored to treat the perovskite surface. Scanning tunneling microscopy and spectroscopy show a difference in the electronic band structure, where both n- and p-type terminated perovskite surfaces are observed depending on the solvent used. Supported by optical spectroscopy, the impact of the perovskite electronic structure is monitored, indicating that n-type perovskite sensitizers feature higher TTA-UC efficiencies due to favorable band bending resulting in efficient hole-mediated triplet formation. Overall, the tuning of the electronic structure of the perovskite sensitizer through solvent treatment is shown to be a key force in tuning the mechanism of efficient triplet generation.

36 MATERIALS SCIENCE↗