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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Minimizing hydrogen vacancies to enable highly efficient hybrid perovskites

Defect-induced non-radiative losses are currently limiting the performance of hybrid perovskite devices. Experimental reports have indicated the existence of point defects that act as detrimental non-radiative recombination centres under iodine-poor synthesis conditions. However, the microscopic nature of these defects is still unknown. Here we demonstrate that hydrogen vacancies can be present in high densities under iodine-poor conditions in the prototypical hybrid perovskite MAPbI 3 (MA = CH 3 NH 3 ). They act as very efficient non-radiative recombination centres with an exceptionally high carrier capture coefficient of 10 –4 cm 3 s –1 . By contrast, the hydrogen vacancies in FAPbI 3 [FA = CH(NH 2 ) 2 ] are much more difficult to form and have a capture coefficient that is three orders of magnitude lower. Our study unveils the critical but overlooked role of hydrogenvacancies in hybrid perovskites and rationalizes why FA is essential for realizing high efficiency in hybrid perovskite solar cells. Furthermore, minimizing the incorporation of hydrogen vacancies is key to enabling the best performance of hybrid perovskites.

14 SOLAR ENERGY↗
DOE OSTI2025

Valuation of Anode Materials for High-Performance Lithium Batteries: From Graphite to Lithium Metal and Beyond

Lithium-ion batteries have revolutionized energy storage, yet advanced technologies such as electric vehicles and eVTOLs demand even higher performance and safety. Anodes, the negative electrodes, are crucial in enhancing batteries’ safety, lifespan, and fast-charging capabilities. This review paper comprehensively evaluates the progression of anode materials from traditional graphite to advanced anodes like lithium metal. Graphite anodes, with a capacity of 372 mAh g −1 , enabled the first commercial lithium-ion batteries, but future applications require higher energy densities and fast-charging capabilities. Emerging anode materials, including alloying, and conversion types, as well as lithium metal, offer significantly higher capacities, with lithium metal offering a theoretical capacity of 3 860 mAh g −1 . However, these advanced anodes face challenges such as volume expansion, high surface reactivity, sluggish Li+ kinetics, and unstable lithium deposition morphologies. Here, this review critically examines the electrochemical performance, interfacial properties, mechanical attributes, and stability issues of various anode materials. It further discusses solid electrolyte interphase (SEI) formation, strategies for enhancing interface stability, and the requirements of anodes for solid-state batteries. Additionally, the review explores potential solutions for limitations with each anode type, highlights innovative anode-free architectures, and evaluates the current and future trends of battery anode industries. Ultimately, this paper aims to guide the development of high-performance anode materials, paving the way for the next generation of efficient, reliable lithium batteries.

Alloying anodes↗
DOE OSTI2021

3D Printed Nickel–Molybdenum-Based Electrocatalysts for Hydrogen Evolution at Low Overpotentials in a Flow-Through Configuration

Three-dimensional (3D) printed, hierarchically porous nickel molybdenum (NiMo) electrocatalysts were synthesized and evaluated in a flow-through configuration for the hydrogen evolution reaction (HER) in 1.0 M KOH(aq) in a simple electrochemical H-cell. 3D NiMo electrodes possess hierarchically porous structures because of the resol-based aerogel precursor, which generates superporous carbon aerogel as a catalyst support. Relative to a traditional planar electrode configuration, the flow-through configuration allowed efficient removal of the hydrogen bubbles from the catalyst surface, especially at high operating current densities, and significantly decreased the overpotentials required for HER. An analytical model that accounted for the electrokinetics of HER as well as the mass transport with or without the flow-through configuration was developed to quantitatively evaluate voltage losses associated with kinetic overpotentials and ohmic resistance due to bubble formation in the porous electrodes. Furthermore, the chemical composition, electrochemical surface area (ECSA), and roughness factor (RF) were also systematically studied to assess the electrocatalytic performance of the 3D printed, hierarchically porous NiMo electrodes. An ECSA of 25163 cm2 was obtained with the highly porous structures, and an average overpotential of 45 mV at 10 mA cm–2 was achieved over 24 h by using the flow-through configuration. The flow-through configuration evaluated in the simple H-cell achieved high electrochemical accessible surface areas for electrochemical reactions and provided useful information for adaption of the porous electrodes in flow cells.

08 HYDROGEN↗
DOE OSTI2020

H 2 Evolution at an Electrochemical “Underpotential” with an Iridium-Based Molecular Photoelectrocatalyst

Molecular platforms capable of both photochemical H 2 evolution and electrochemical catalyst regeneration hold promise for the efficient generation of solar fuels. Systems studied to date require a significant electrochemical overpotential (η), so no photon energy is being chemically stored. A detailed study of the parameters that govern the electrochemical overpotential of molecular photoelectrocatalysts is presented. By understanding how tuning the solvent, catalyst structure, and acid pK a affect the kinetics and thermodynamics of the potential- and light-driven H 2 evolution reaction, conditions were identified wherein the solvento complex [Cp*Ir(bpy)(NCCH 3 )][PF 6 ] 2 (Cp* is pentamethylcyclopentadienyl; bpy is 2,2'-bipyridine) mediates photoelectrocatalytic H 2 formation at an electrochemical “underpotential” (η < 0) driven by visible light. Under 460 nm illumination and in the presence of the weak organic acid H-PhTMG + (2-phenyl-1,1,3,3- tetramethylguanidinium), the catalyst facilitates H 2 evolution with Faradaic efficiencies up to 90% and overpotentials as low as –90 mV. As a result, mechanistic studies enabled the construction of graphical “maps” that can guide the choice of catalyst and conditions to minimize overpotential, applicable to both photoelectrocatalysts and dark electrocatalysts.

14 SOLAR ENERGY↗
DOE OSTI2021

Transmission Spectroscopy for the Warm Sub-Neptune HD 3167c: Evidence for Molecular Absorption and a Possible High-metallicity Atmosphere

We present a transmission spectrum for the warm (500−600 K) sub-Neptune HD 3167c obtained using the Hubble Space Telescope Wide Field Camera 3 infrared spectrograph. We combine these data, which span the 1.125–1.643 μm wavelength range, with broadband transit measurements made using Kepler/K2 (0.6–0.9 μm) and Spitzer/IRAC (4–5 μm). We find evidence for absorption by at least one of H{sub 2}O, HCN, CO{sub 2}, and CH{sub 4} (Bayes factor 7.4; 2.5σ significance), although the data precision does not allow us to unambiguously discriminate between these molecules. The transmission spectrum rules out cloud-free hydrogen-dominated atmospheres with metallicities ≤100× solar at >5.8σ confidence. In contrast, good agreement with the data is obtained for cloud-free models assuming metallicities >700× solar. However, for retrieval analyses that include the effect of clouds, a much broader range of metallicities (including subsolar) is consistent with the data, due to the degeneracy with cloud-top pressure. Self-consistent chemistry models that account for photochemistry and vertical mixing are presented for the atmosphere of HD 3167c. The predictions of these models are broadly consistent with our abundance constraints, although this is primarily due to the large uncertainties on the latter. Interior structure models suggest that the core mass fraction is >40%, independent of a rock or water core composition, and independent of atmospheric envelope metallicity up to 1000× solar. We also report abundance measurements for 15 elements in the host star, showing that it has a very nearly solar composition.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1972

Mariner 9 ultraviolet spectrometer experiment - Initial results.

The UV airglow spectrum of Mars has been measured from an orbiting spacecraft during a 30-day period in November and December 1971. Significant variations in the scale height of the CO Cameron band airglow have been observed during a period of variable solar activity. The atomic oxygen and hydrogen airglow lines are present during all the observations. Measurements of the reflectance of the lower atmosphere of Mars show the spectral characteristics of particle scattering and a magnitude that is about 50% of that measured during the Mariner 6 and 7 experiments in 1969.

Barth, C. A.↗
NASA NTRS1976

Theoretical models of Beta Cephei stars constructed with new radiative opacities

Equilibrium models for the main-sequence and early post-main-sequence phases of evolution are constructed for stars of 10.9 and 15 solar masses with two different initial hydrogen and metals abundances. Carson's (1976) radiative opacities are used in the calculations. It is found that the models which lie off the zero-age main sequence have cooler effective temperatures than corresponding models based on other opacities and cross the observed Beta Cephei strip in the H-R diagram only during the main phase of core hydrogen burning. The stability of radial and nonradial pulsations is studied by applying linear nonadiabatic perturbations to the models. The results show that all the modes examined are stable and that the margin of stability decreases with advancing evolution. It is suggested that the closeness of the periods of the two lowest nonradial quadrupole p-modes may be responsible for the 'beat' phenomenon observed in many Beta Cephei stars, if these modes are somehow excited. Possible instability mechanisms are evaluated, particularly the ultimate ionization of CNO elements.

Stothers, R.↗
NASA NTRS1976

The cause of the nova outburst

A large number of models are evolved for thermonuclear runaways in the hydrogen-rich envelopes of 1.00-solar-mass carbon-oxygen white dwarfs. Models characterized by enhanced CNO abundances satisfy the observations of the common nova outburst, ejecting from 10 to the 27th to 10 to the 29th power g at velocities of 200 to 2400 km/s and kinetic energies of 10 to the 44th to 10 to the 45th power erg. The theoretical light curves are similar to the observed light curves of common novae during the early stages of the outbursts. Explanations are given for the continuous ejection of mass which is observed for long times after the initial outbursts, for the relationship between maximum magnitude and the decline to minimum, and for the constant luminosity phase of the outburst and the oval shapes of the ejected nebulae. The analysis is extended to models with extreme enhancements of C-12 and to models which include infalling material in the evolution. The extreme C-12 studies result in outbursts which reach near-supernova proportions, while the accretion models result in light curves which resemble observed light curves quite closely. The accretion studies also demonstrate the need for enhanced abundances.

Starrfield, S.↗
NASA NTRS1977

Performance data for a terrestrial solar photovoltaic/water electrolysis experiment

A description is presented of the equipment used in the experiment, taking into account the surplus solar panel from the Mariner 4 spacecraft which was used as a solar array source and an electrolytic hydrogen generator. Attention is also given to operational considerations and performance data, system considerations and aspects of optimization, and large-scale hydrogen production considerations.

Costogue, E. N.↗
NASA NTRS1982

Helium, hydrogen, and oxygen velocities observed on ISEE-3

The velocities of hydrogen, helium, and oxygen ions over a full range of solar wind conditions were recorded by the ion composition instrument and Los Alamos National Laboratory plasma instrument aboard the International Sun Earth Explorer. Interspecie velocity differences were observed frequently. For solar wind velocities between 300 and 400 km s(-1) the helium velocity exceeded the hydrogen velocity by 5 km s(-1) the average difference was 14 km s(-1), however no evidence was found for a nonzero average velocity difference between helium and oxygen ions even at the higher velocities. Velocity differences were examined in a number of streams and across a number of interplanetary shocks. Generally helium hydrogen velocity differences are bounded by the Alfven speed. Velocity differences show abrupt changes across interplanetary discontinuities, presumably tangential. The electrostatic potential change across a shock produces differences between the velocities of ions having different charges.

Ogilvie, K. W.↗
NASA NTRS1981

Thermonuclear runaways in thick hydrogen rich envelopes of neutron stars

A Lagrangian, fully implicit, one dimensional hydrodynamic computer code was used to evolve thermonuclear runaways in the accreted hydrogen rich envelopes of 1.0 Msub solar neutron stars with radii of 10 km and 20 km. Simulations produce outbursts which last from about 750 seconds to about one week. Peak effective temeratures and luninosities were 26 million K and 80 thousand Lsub solar for the 10 km study and 5.3 millison and 600 Lsub solar for the 20 km study. Hydrodynamic expansion on the 10 km neutron star produced a precursor lasting about one ten thousandth seconds.

Starrfield, S. G.↗
NASA NTRS1982

Thermonuclear processes and accretion onto neutron star envelopes - X-ray burst and transient sources

A Lagrangian, fully implicit, one-dimensional hydrodynamic computer code is used to investigate the evolution of thermonuclear runaways in the thick accreted hydrogen-rich envelopes of 1.0-solar-mass neutron stars having radii of 10 km and 20 km. The simulations produce outbursts that range in time scale from about 2000 seconds to more than a day. For the 10-km study, the peak effective temperature is 3.3 x 10 to the 7th K, and the peak luminosity is 2 x 10 to the 5th solar luminosities. The 20-km neutron star produces a peak effective temperature and luminosity of 5.3 x 10 to the 6th K and 5.9 x 10 to the 2nd solar luminosities. Also investigated are the effects of changes in the rates of the O-14(alpha, proton) and O-15(alpha, gamma) reactions on the evolution. Hydrodynamic expansion on the 10-km neutron star produces a precursor lasting about 10 to the -6th sec. The evolution of a gas cloud impacting the surface of a 20-km, 1-solar-mass neutron star is studied in an attempt to simulate the magnetospheric gate model of the X-ray burst sources.

Starrfield, S.↗
NASA NTRS1982

Thermonuclear runaways in thick hydrogen rich envelopes of neutron stars

A Lagrangian, fully implicit, one-dimensional hydrodynamic computer code is used to evolve thermonuclear runaways in the accreted hydrogen-rich envelopes of 1.0-solar-mass neutron stars with radii of 10 km and 20 km. The simulations produce outbursts lasting from approximately 750 seconds to approximately one week. The peak effective temperatures and luminosities are 2.6 x 10 to the 7th K and 8 x 10 to the 4th solar luminosities for the 10 km study and 5.3 x 10 to the 6th K and 600 solar luminosities for the 20 km study. It is found that hydrodynamic expansion on the 10 km neutron star produced a precursor lasting approximately 0.0001 second. The study assumes that the bursters and transient X-ray sources occur as a result of mass transfer from a secondary onto a neutron star in a fashion analogous to the nova phenomena. The peak temperatures and luminosities are found to be inversely proportional to the radius of the neutron stars and the calculations here, together with those in the literature, indicate that the actual radii of most neutron stars must be closer to 10 km than 20 km.

Starrfield, S.↗
NASA NTRS1982

Ground-based infrared spectroscopic measurements of atmospheric hydrogen cyanide

A number of lines of the nu-3 band of hydrogen cyanide have been detected in solar absorption spectra recorded near sunrise and sunset at Kitt Peak National Observatory (elevation 2095 m) with a 0.01/cm resolution Fourier transform spectrometer. Analysis of two of the strongest and best isolated lines has led to a value of 2.73 x 10 to the 15th molecules/sq cm for the vertical column abundance of HCN above Kitt Peak. The accuracy of this value is estimated as + or - 25%. This result, combined with the stratospheric concentration of HCN derived by Coffey, Mankin, and Cicerone (1981), yields 166 parts per trillion by volume for the average mixing ratio of HCN between 2 and 12 km. This is the first determination of the HCN concentration in the nonurban troposphere.

Rinsland, C. P.↗
NASA NTRS1983

Reduction, partial evaporation, and spattering - Possible chemical and physical processes in fluid drop chondrule formation

The major chemical differences between fluid drop chondrules and their probable parent materials may have resulted from the loss of volatiles such as S, H2O, Fe, and volatile siderophile elements by partial evaporation during the chondrule-forming process. Vertical access solar furnace experiments in vacuum and hydrogen have demonstrated such chemical fractionation trends using standard rock samples. The formation of immiscible iron droplets and spherules by in situ reduction of iron from silicate melt and the subsequent evaporation of the iron have been observed directly. During the time that the main sample bead is molten, many small spatter spherules are thrown off the main bead, thereby producing many additional chondrule-like melt spherules that cool rapidly and generate a population of spherules with size frequency distribution characteristics that closely approximate some populations of fluid drop chondrules in chondrites. It is possible that spatter-produced fluid drop chondrules dominate the meteoritic fluid drop chondrule populations. Such meteoritic chondrule populations should be chemically related by various relative amounts of iron and other volatile loss by vapor fractionation.

King, E. A.↗
NASA NTRS1989

The oblique behavior of low-frequency electromagnetic waves excited by newborn cometary ions

The free energy in oxygen or hydrogen ions freshly created in the solar wind stimulates low-frequency electromagnetic waves whose growth does not always maximize at parallel propagation. Exploration of the wave vector plane discloses the frequent occurrence of islets of oblique growth unconnected to the unstable parallel modes. Contour plots of the growth rate, real frequency, polarization, and magnetic compression characterize the oblique wave behavior for large values of the initial pitch angle of the cometary particles. Although wave-particle (Landau and cyclotron) resonances feed most of the surveyed oblique instabilities, some are seemingly fluidlike. The results, obtained from the numerical solution of the kinetic dispersion and wave equations, imply that newborn ions can easily excite significant oblique hydromagnetic wave activity. Cometary environments provide the adopted plasma model, but the study is helpful in the interpretation of other low-frequency wave observations in space.

Brinca, Armando L.↗
NASA NTRS1990

Analysis of thermal energy storage material with change-of-phase volumetric effects

NASA's Space Station Freedom proposed hybrid power system includes photovoltaic arrays with nickel hydrogen batteries for energy storage and solar dynamic collectors driving Brayton heat engines with change-of-phase Thermal Energy Storage (TES) devices. A TES device is comprised of multiple metallic, annular canisters which contain a eutectic composition LiF-CaF2 Phase Change Material (PCM) that melts at 1040 K. A moderately sophisticated LiF-CaF2 PCM computer model is being developed in three stages considering 1-D, 2-D, and 3-D canister geometries, respectively. The 1-D model results indicate that the void has a marked effect on the phase change process due to PCM displacement and dynamic void heat transfer resistance. Equally influential are the effects of different boundary conditions and liquid PCM natural convection. For the second stage, successful numerical techniques used in the 1-D phase change model are extended to a 2-D (r,z) PCM containment canister model. A prototypical PCM containment canister is analyzed and the results are discussed.

Kerslake, Thomas W.↗