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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Low-bandgap mixed tin–lead iodide perovskites with reduced methylammonium for simultaneous enhancement of solar cell efficiency and stability

High-performance perovskite/perovskite tandem solar cells require high-efficiency and stable low-bandgap perovskite subcells. State-of-the-art low-bandgap mixed tin–lead iodide perovskite solar cells exhibit either a high power-conversion efficiency or improved stability, but not both. In this article we report a two-step bilayer interdiffusion growth process to simultaneously meet both requirements for formamidinium-based low-bandgap mixed tin–lead iodide perovskite solar cells. The bilayer interdiffusion growth process allows for the formation of high-quality and large-grained perovskite films with only 10 mol% volatile methylammonium. Additionally, one-dimensional pyrrolidinium perovskite was applied to passivate the perovskite film and improve the junction quality, which resulted in a carrier lifetime of 1.1 µs and an open circuit voltage of 0.865 V for our perovskite film and device with a bandgap of 1.28 eV. Our strategies enabled a power-conversion efficiency of 20.4% for low-bandgap perovskite solar cells under AM 1.5G illumination. More importantly, an encapsulated device can retain 92% of its initial efficiency after 450 h of continuous 1 sun illumination.

14 SOLAR ENERGY↗
DOE OSTI2023

How generic is iodide-tagging photoelectron spectroscopy: An extended investigation on the Gly· X - (Gly = glycine, X = Cl or Br) complexes

We report a joint negative ion photoelectron spectroscopy (NIPES) and quantum chemical computational study on glycine-chloride/bromide complexes (denoted Gly·X - , X = Cl/Br) in close comparison to the previously studied Gly·I - cluster ion. Combining experimental NIPE spectra and theoretical calculations, various Gly·X - complexes were found to adopt the same types of low-lying isomers, albeit with different relative energies. Despite more congested spectral profiles for Gly·Cl - and Gly·Br - , spectral assignments were accomplished with the guidance of the knowledge learned from Gly·I - , where a larger spin–orbit splitting of iodine afforded well-resolved, recognizable spectral peaks. Three canonical plus one zwitterionic isomer for Gly·Cl - and four canonical conformers for Gly·Br - were experimentally identified and characterized in contrast to the five canonical ones observed for Gly·I - under similar experimental conditions. Taken together, this study investigates both genericity and variations in binding patterns for the complexes composed of glycine and various halides, demonstrating that iodide-tagging is an effective spectroscopic means to unravel diverse ion-molecule binding motifs for cluster anions with congested spectral bands by substituting the respective ion with iodide.

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

Computational discovery of two-dimensional rare-earth iodides: promising ferrovalley materials for valleytronics

Two-dimensional Ferrovalley materials with intrinsic valley polarization are rare but highly promising for valley-based nonvolatile random access memory and valley filter devices. These ferromagnetic materials exhibit valleys at or near the Fermi level with intrinsic magnetism. The strong coupling between magnetism and spin–orbit coupling induces intrinsic valley polarization. Using Kinetically Limited Minimization, an unconstrained crystal structure prediction algorithm, and prototype sampling based on first-principles calculations, we have discovered new Ferrovalley materials, rare-earth iodides RI 2 , where R is a rare-earth element belonging to Sc, Y, or La-Lu, and I is Iodine. The rare-earth iodides are layered and demonstrate either 2H, 1T, or 1T d phase as the ground state in bulk, analogous to transition metal dichalcogenides (TMDCs). The calculated exfoliation energy of monolayers (MLs) is comparable to that of graphene and TMDCs, suggesting possible experimental synthesis. The MLs in the 2H phase exhibit ferromagnetism due to unpaired electrons in d and f orbitals. Throughout the rare-earth series, d bands have valley polarization at K and $\overline{K}$ points in the Brillouin zone in the vicinity of the Fermi level. Large intrinsic valley polarization in the range of 15–143 meV without external stimuli is observed in these Ferrovalley materials, which can be enhanced further by applying an in-plane bi-axial strain. These valleys can selectively be probed and manipulated for information storage and processing, potentially offering superior performance beyond conventional electronics and spintronics. Here we further show that the 2H ferromagnetic phase of RI 2 MLs possesses non-zero Berry curvature and exhibits anomalous valley Hall effect with considerable anomalous Hall conductivity. Our work will incite exploratory synthesis of the predicted Ferrovalley materials and their application in valleytronics and beyond.

2D materials↗
NASA NTRS1970

Oxygen-hydrogen fuel cell with an iodine-iodide cathode - A concept

Fuel cell uses a porous cathode through which is fed a solution of iodine in aqueous iodide solution, the anode is a hydrogen electrode. No activation polarization appears on the cathode because of the high exchange-current density of the iodine-iodide electrode.

Javet, P.↗
NASA NTRS1980

Observation of nuclear quadrupole hyperfine structure in the infrared spectrum of hydrogen iodide using a tunable-diode laser

Nuclear quadrupole hyperfine structure has been observed in the 1-0 vibration-rotation band of hydrogen iodide with a tunable-diode laser. The measured splittings agree well with microwave measurements of the HI molecule. Evidence for a slight change in the iodine nuclear quadrupole coupling constant from the ground to first excited vibrational state in hydrogen iodide was found.

Strow, L. L.↗
NASA NTRS1982

New measurement of the Fano factor of mercuric iodide

It is pointed out that mercuric iodide (HgI2) shows great promise as a high-resolution X-ray detector for use in X-ray astronomy. Development of mercuric iodide for astronomical work has required investigation of the temperature dependence of the HgI2 crystal parameters such as leakage current, resolution, and mobility of the charge carriers. The first studies in connection with these investigations have led to a new value of the Fano factor of 0.19 + or - 0.03. The best value previously reported was 0.27 measured at room temperature. The new upper limit of 0.19 for the HgI2 Fano factor was determined by cooling the HgI2 crystal and preamp to -20 C. It is concluded that room-temperature energy resolution of HgI2 is not limited by charge generation statistics but rather by collection efficiency.

Ricker, G. R.↗
NASA NTRS1982

Mercuric iodide (HgI2) growth for nuclear detectors

The purpose of this investigation is to grow more-perfect mercuric iodide crystals in a low-gravity environment by taking advantage of diffusion-controlled growth conditions and by avoiding the problem of strain dislocations produced by the crystal's weight. This crystal has considerable practical importance as a sensitive gamma-ray detector and energy spectrometer that can operate at ambient temperature, as compared to presently available detectors that must be cooled to near liquid nitrogen temperatures. However, the performance of mercuric iodide crystals only rarely approaches the expected performance, presumably because some of the free electrical charges produced within the crystal are not collected at the electrodes, but instead remain trapped or immobilized at crystal defects. An efficient high atomic number semiconductor detector capable of operating at room temperature utilizing single HgI2 crystals offers a greater potential than existing detector technology.

Schnepple, W.↗
NASA NTRS1982

Mercury iodide crystal growth

The purpose of the Mercury Iodide Crystal Growth (MICG) experiment is the growth of near-perfect single crystals of mercury Iodide (HgI2) in a microgravity environment which will decrease the convection effects on crystal growth. Evaporation and condensation are the only transformations involved in this experiment. To accomplish these objectives, a two-zone furnace will be used in which two sensors collect the temperature data (one in each zone).

Cadoret, R.↗
NASA NTRS1984

Energy resolution enhancement of mercuric iodide detectors

A pulse processing technique has been developed which improves the gamma-ray energy resolution of mercuric iodide detectors. The technique employs a fast (100 ns) and a slow (6.4 microsec) pulse height analysis to correct for signal variations due to variations in charge trapping. The capabilities of the technique for energy resolution enhancement are discussed as well as the utility of the technique for examining the trapping characteristics of individual detectors. An energy resolution of 2.6 percent FWHM at 662 keV was achieved with an acceptance efficiency of 100 percent from a mercuric iodide detector which gives 8.3 percent FWHM using standard techniques.

Finger, M.↗
NASA NTRS1983

A mercuric iodide detector system for X-ray astronomy. II - Results from flight tests of a balloon borne instrument

To establish the expected sensitivity of a new hard X-ray telescope design, described by Ricker et al., an experiment was conducted to measure the background counting rate at balloon altitudes (40 km) of mercuric iodide, a room temperature solid state X-ray detector. The prototype detector consisted of two thin mercuric iodide (HgI2) detectors surrounded by a large bismuth germanate scintillator operated in anticoincidence. The bismuth germanate shield vetoed most of the background counting rate induced by atmospheric gamma-rays, neutrons and cosmic rays. A balloon-borne gondola containing a prototype detector assembly was designed, constructed and flown twice in the spring of 1982 from Palestine, TX. The second flight of this instrument established a differential background counting rate of 4.2 + or - 0.7 x 10 to the -5th counts/s sq cm keV over the energy range of 40-80 keV. This measurement was within 50 percent of the predicted value. The measured rate is about 5 times lower than previously achieved in shielded NaI/CsI or Ge systems operating in the same energy range.

Vallerga, J. V.↗
NASA NTRS1987

Preliminary design and cost of a 1-megawatt solar-pumped iodide laser space-to-space transmission station

A preliminary conceptual design of a space-based solar pumped iodide laser emitting 1 megawatt of laser power for space-to-space power transmission is described. A near parabolic solar collector focuses sunlight onto the t-C4F9I (perfluoro-t butyl iodide) lasant within a transverse flow optical cavity. Using waste heat, a thermal system was designed to supply compressor and auxiliary power. System components were designed with weight and cost estimates assigned. Although cost is very approximate, the cost comparison of individual system components leads to valuable insights for future research. In particular, it was found that laser efficiency was not a dominant cost or weight factor, the dominant factor being the laser cavity and laser transmission optics. The manufacturing cost was approx. two thirds of the total cost with transportation to orbit the remainder. The flowing nonrenewable lasant comprised 20% of the total life cycle cost of the system and thus was not a major cost factor. The station mass was 92,000 kg without lasant, requiring approx. four shuttle flights to low Earth orbit where an orbital transfer vehicle will transport it to the final altitude of 6378 km.

Deyoung, R. J.↗
NASA NTRS1988

Growth of mercuric iodide (HgI2) for nuclear radiation detectors

Mercuric iodide is a material used for the fabrication of the sensing element in solid state X-ray and gamma ray detecting instruments. The operation of the devices is determined to a large degree by the density of structural defects in the single crystalline material used in the sensing element. Since there were strong indications that the quality of the material was degraded by the effects of gravity during the growth process, a research and engineering program was initiated to grow one or more crystals of mercuric iodide in the reduced gravity environment of space. A special furnace assembly was designed which could be accommodated in a Spacelab rack, and at the same time made it possible to use the same growth procedures and controls used when growing a crystal on the ground. The space crystal, after the flight, was subjected to the same evaluation methods used for earth-grown crystals, so that comparisons could be made.

Vandenberg, L.↗
NASA NTRS1991

Investigation of the excited state iodine lifetime in the photodissociation of perfluoroalkyl iodides

An evaluation of prospective laser materials for a space-based solar pumped laser system over the past decade has resulted in the identification of the iodine photodissociation laser as that system best suited to solar-pumped high energy operation. The active medium for the solar-pumped iodine photodissociation laser is from the family of perfluoroalkyl iodides. These lasants have the general form C(n)F(2n + 1)I, often abbreviated as RI. These iodides are known to exhibit photodissociaiton of the C-I bond when irradiated by near UV photons. The focus was on the experimental determination of the lifetime of the excited iodine atom following photodissociation of C4F9I, and also to monitor fluorescence from the iodine molecule at 500 nm to determine if I2 is being produced in the process. Photodissociation is achieved using an XeCl excimer laser with an output wavelength of 308 nm. The XeCl beam is focused into the middle of a cylindrical quartz cell containing the lasant. The laser pulse is detected with a fast risetime photomultiplier tube as it exits the cell. Other aspects of the investigation are discussed.

Cobb, Stephen H.↗
NASA NTRS1998

Purification and Crystal Growth of Lead Iodide by Physical Vapor Transport Method

Lead iodide (PbI2) is a layered compound semiconductor being developed as room temperature x- and gamma-ray detector. Compared to the more studied material, mercuric iodide, PbI2 has a higher melting temperature and no phase transition until liquid phase which are indications of better mechanical properties. In this study, the source material was purified by the zone-refining process, and the purest section was extracted from center of the the zone-refined ingot to be grown by physical vapor transport (PVT) method. The zone-refined material and as-grown crystals were characterized by optical microscopy and differential scanning calorimetry (DSC) to reveal the surface morphology, purity and stoichiometry. The results shows that both materials are near-stoichiometric composition, with the purity of the as-grown crystals higher than zone-refined materials. The resistivity of the as-grown crystal (10" Omega-cm) was derived from current-voltage (I-V) measurement, and is 10 times higher than the zone-refined materials. Detail results will be presented and discussed.

Wright, G. W.↗
NASA NTRS2009

Mercuric Iodide Anticoincidence Shield for Gamma-Ray Spectrometer

A film-growth process was developed for polycrystalline mercuric iodide that creates cost-effective, large-area detectors for high-energy charged-particle detection. A material, called a barrier film, is introduced onto the substrate before the normal mercuric iodide film growth process. The barrier film improves the quality of the normal film grown and enhances the adhesion between the film and the substrate. The films grown using this improved technique were found to have adequate signal-to-noise properties so that individual high-energy charged -particle interactions could be distinguished from noise, and thus, could be used to provide an anticoincidence veto function as desired.

Hartsough, Neal↗
DOE OSTI2026

Understanding the speciation of molten iodide salts via spectro-electrochemistry

Iodine is a high yield fission product of concern for the environmental effects due to its high volatility and biological impacts to the human body. Iodine speciation in molten salts, specifically iodide salts, is not well understood due to its reactivity at higher temperature domains. UV-Vis spectroscopy indicates a change in the speciation of the molten iodide salts starting at 500oC based on the decomposition of the salt itself, forming I3- ions. This work investigated the spectral changes of I- ions in molten LiI-KI and LiI-KI-NiI2 while manipulating the salts electrochemically using an inert graphite electrode at 400oC.The Li+/Li(s) and the Ni2+/Ni(s) transitions were studied using cyclic voltammetry, chronoamperometry/chronopotentiometry to characterize the respective reduction-oxidation waves. As cyclic voltammetry was applied, the UV-Vis spectroscopy showed a change in the characteristic signal of molten LiI-KI, indicating a disproportionation reaction in the molten salt, leading to formation of I3- ions and I2 gas.

36 - MATERIALS SCIENCE↗