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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

UT-GOM2-2 Preliminary Report: Terrebonne Basin Northern Gulf of Mexico, 30 July-28 September 2023

In the summer and fall of 2023, the Gulf of Mexico Deepwater Hydrate Coring Expedition (UT-GOM2-2) drilled, cored, made downhole measurements, and analyzed samples from the seafloor to the base of the gas hydrate stability zone in one location (Site H, WR313) in the Terrebonne basin, deepwater Gulf of Mexico. Analyses of data and samples from the expedition will inform biological, geochemical, and geomechanical models to constrain the role of gas hydrates in the carbon cycle and the potential for gas hydrates as an energy resource. Pressure and conventional cores were collected continuously to a depth of 155.1 meters below the seafloor (mbsf). At deeper depths, cores were taken periodically from hydrate-bearing sands and their bounding muds to a total depth of 861.3 mbsf. 162.6 m of conventional core and 54.8 m of pressure core were obtained. Twelve temperature measurements were made between 27.1 and 144.5 mbsf to determine the geothermal gradient. At the seafloor, more than 4 m of sandy silt of unknown origin was encountered. Beneath this sand, to a depth of ~200 mbsf, the section was composed of interbedded mud and biogenic carbonate ooze. The biogenic ooze correlated to low density and high porosity intervals observed in the previously acquired logging while drilling (LWD) data and as measured. Calcareous nannofossil biostratigraphy constrains the entire record to the Pleistocene (< 0.91 million years) with a pronounced increase in sedimentation rate with depth. Beneath 200 mbsf, the section was predominantly composed of mud with two thicker, hydrate-bearing coarse-grained intervals, which are commonly known as the Blue and Orange sands. The dissolved gas concentration was quantified from pressure cores. In the shallow section, dissolved methane concentration increased below the sulfate-methane transition zone (SMTZ) and reaches saturation (the limit of solubility for methane) at 147 mbsf. Gas expansion was very common in conventional and depressurized pressure (conventionalized) cores below the SMTZ. At deeper depths, the methane concentration within muds bounding the Blue and Orange reservoirs was generally found to be less than saturation. The dissolved and hydrate gas composition is consistent with a microbial source, containing greater than 99.99% methane and only trace concentrations of ethane, propane, and butane. The methane to ethane ratio (C 1 /C 2 ) and the methane to ethane plus propane (C 1 /(C 2 +C 3 )) decrease with depth down to at least 678 mbsf, mainly driven by the increase in ethane with depth. It is unclear if this trend continues through the Orange sand interval. The δ 13 C isotopic signature of methane ranges between -69.9 and -78.5 ‰ Vienna Pee Dee Belemnite (VPDB). Pressure core recovery of all sandy intervals was poor. However, pressure core logs of the Orange sand show intervals of low density and high velocity, which are indicative of high hydrate saturation. One core from within the Orange sand was composed of interbedded graded sandy silt and mud. The sandy silts from this core are composed of mainly quartz and feldspar with some lithics. Most of the recovered pressure core samples are maintained at near in-situ pressure and temperature (within the hydrate stability field) at the University of Texas Pressure Core Center awaiting analysis. In the shallow section, samples will be used to determine the flux of organic carbon through the basin system, find the rate at which that carbon was consumed, and understand the microbial population responsible for these processes. In the deeper section, samples from in and around the hydrate reservoirs will be used to determine the petrophysical properties of the reservoir and bounding seals in these systems.

03 NATURAL GAS↗
NASA NTRS1983

An experimental study of adsorption interference in binary mixtures flowing through activated carbon

The isothermal transmission through activated carbon adsorber beds at 25 C of acetaldehyde-propane and acetylene-ethane mixtures in a helium carrier gas was measured. The inlet concentration of each component was in the range between 10 ppm and 500 ppm. The constant inlet volumetric flow rate was controlled at 200 cc (STP)/min in the acetaldehyde-propane experiments and at 50 cc (STP)/min in the acetaldehyde-ethane experiments. Comparison of experimental results with the corresponding single-component experiments under similar conditions reveals interference phenomena between the components of the mixtures as evidenced by changes in both the adsorption capacity and the dispersion number. Propane was found to displace acetaldehyde from the adsorbed state. The outlet concentration profiles of propane in the binary mixtures tend to become more diffuse than the corresponding concentration profiles of the one-component experiments. Similar features were observed with mixtures of acetylene and ethane; however, the displacement of acetylene by ethane is less pronounced.

Madey, R.↗
NASA NTRS1986

The determination of the global average OH concentration using a deuteroethane tracer

It is proposed to measure the decreasing global concentration of an OH reactive isotopic tracer, G sub 2 D sub 6, after its introduction into the troposphere in a manner to facilitate uniform global mixing. Analyses at the level of 2 x 10 to the -19th power fraction, corresponding to one kg uniformly distributed globally, should be possible by a combination of cryogenic absorption techniques to separate ethane from air and high sensitivity isotopic analysis of ethane by mass spectrometry. Aliquots of C sub 2 D sub 6 totaling one kg would be introduced to numerous southern and northern latitudes over a 10 day period in order to achieve a uniform global concentration within 3 to 6 months by the normal atmospheric circulation. Then samples of air of 1000 l (STP) would be collected periodically at a tropical and temperate zone location in each hemisphere and spiked with a known amount of another isotopic species of ethane, C-13 sub 2 H sub 6, at the level of 10 to the -11th power mole fraction. After separation of the ethanes from air, the absolute concentration of C sub 2 D sub 6 would be analyzed using the Argonne 100-inch radius mass spectrometer.

Stevens, Charles M.↗
DOE OSTI2026

Integrated Direct Air Capture and H₂-Free CO₂ Valorization

This project advances fundamental understanding of a novel integrated direct air capture (DAC) and CO₂ conversion process that valorizes atmospheric CO₂ without external H₂. The research encompasses four critical components: (1) design of task-specific ionic liquids for efficient CO₂ capture under ambient conditions, (2) development of H₂-free tandem catalytic systems using ethane as a reductant, (3) advanced operando characterization to elucidate capture and conversion mechanisms, and (4) data science-driven predictive computation to accelerate material discovery. Over the project period, we developed five high-performance DAC sorbent systems—including CaO/superbase ionic liquid composites, Ni-MOF/Ionic Liquid (IL) hybrids, fluorinated covalent organic frameworks with ion-pair functional groups, defect-engineered UiO-66, and a validated kinetic model for humid-condition operation, achieving CO₂ capacities up to 1.86 mmol/g at 400 ppm with excellent cycling stability. For H₂-free conversion, we constructed atomically synergistic Zn–O–Cr binuclear catalytic sites that achieve 100% ethylene selectivity, ~9.6% ethane conversion, and 99% CO₂ utilization in equimolar co-conversion of ethane and CO₂. We further demonstrated downstream valorization pathways converting CO and C₂H₄ into polyketones and C₃ chemicals. These advances strengthen the scientific foundation for producing value-added materials from ambient CO₂.

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

Compounds of the organogenic elements in Apollo 11 and 12 lunar samples - A review.

Investigations of low molecular weight compounds of the organogenic elements on lunar samples are reviewed. The three general techniques of vacuum pyrolysis, acid hydrolysis, and crushing have been employed by most investigators. Vacuum pyrolysis of lunar fines produce a variety of gaseous species which are either: (1) indigenous, (2) solar wind products and/or (3) chemical reaction products of mineral phases found in the lunar samples. Acid hydrolysis of lunar fines using deuterium-labeled acids yields evidence for indigenous methane and ethane. Methane and ethane found in the lunar fines are largely derived from the solar wind with only trace amounts indigenous to the samples. Crushing experiments with lunar fines and breccias produce methane, ethane, hydrogen, nitrogen, hydrogen sulfide and the rare gases.

Gibson, E. K., Jr.↗
NASA NTRS1975

Sulfur poisoning of hydrocarbon oxidation by palladium

Using a differential bed recycle reactor the oxidation of ethane and diethyl ketone by a Pd catalyst was studied at the 0-30 ppm level in air. In both cases first order kinetics were observed. The ethane oxidation rate was characterized n the Arrhenius form by a pre-exponential of 1.0 x 10 to the 8th power cm/sec and an E sub a of 27 kcal/mole. The diethyl ketone oxidation rate was characterized by a pre-exponential of 5.7 x -1000 cm/sec and E sub a of 14 kcal/mole. Poisoning of ethan oxidation was also investigated by hydrogen sulfide and to a smaller extent by the refrigerants Freon 22 and Gentron 142-B. Poisoning by Gentron 142-B was much more severe than by hydrogen sulfide. Kinetic experiments indicated that only the pre-exponential was changing.

Baumgartner, A. J.↗
NASA NTRS1985

Evolution of Titan's coupled ocean-atmosphere system and interaction of ocean with bedrock

A recent model for the surface state of Titan proposes a liquid ethane-methane-molecular nitrogen layer of order one kilometer thick which because of stratospheric methane photolysis has become increasingly ethane-rich with time. The interaction of such an ocean with the underlying 'bedrock' of Titan (assumed to be water-ice or ammonia hydrate) and with the primarily nitrogen atmosphere is explored. It is concluded that although modest exchange of oceanic hydrocarbons with enclathrated methane in the bedrock can in principle occur, it is unlikely for reasonable regolith depths. The surprisingly high solubility of water-ice in liquid methane implies that topographic features on Titan of order 100 meters in height can be eroded away on a time scale of one-billion years. The large solubility difference of N2 in methane versus ethane implies that the ocean composition is a strong determinant of atmospheric pressure; a simple radiative model of the Titan atmosphere is employed to demonstrate that significant surface pressure and temperature changes can occur as the oceanic composition evolves with time.

Lunine, J. I.↗
NASA NTRS1994

Effects of biomass burning on summertime nonmethane hydrocarbon concentrations in the Canadian wetlands

Approximately 900 whole air samples were collected and assayed for selected C2-C10 hydrocarbons and seven halocarbons during the 5-week Arctic Boundary Layer Expedition (ABLE) 3B conducted in eastern Canadian wetland areas. In more than half of the 46 vertical profiles flown, enhanced nonmethane hydrocarbon (NMHC) concentrations attributable to plumes from Canadian forest fires were observed. Urban plumes, also enhanced in many NMHCs, were separately identified by their high correlation with elevated levels of perchloroethene. Emission factors relative to ethane were determined for 21 hydrocarbons released from Canadian biomass burning. Using these data for ethane, ethyne, propane, n-butane, and carbon monoxide enhancements from the literature, global emissions of these four NMHCs were estimated. Because of its very short atmospheric lifetime and its below detection limit background mixing ratio, 1,3-butadiene is an excellent indicator of recent combustion. No statistically significant emissions of nitrous oxide, isoprene, or CFC 12 were observed in the biomass-burning plumes encountered during ABLE 3B. The presence of the short-lived biogenically emitted isoprene at altitudes as high as 3000 m implies that mixing within the planetary boundary layer (PBL) was rapid. Although background levels of the longer-lived NMHCs in this Canadian region increase during the fire season, isoprene still dominated local hydroxyl radical photochemistry within the PBL except in the immediate vicinity of active fires. The average biomass-burning emission ratios for hydrocarbons from an active fire sampled within minutes of combustion were, relative to ethane, ethene, 2.45; ethyne 0.57; propane, 0.25; propene, 0.73; propyne, 0.06; n-butane, 0.09; i-butane, 0.01; 1-butene, 0.14; cis-2-butene, 0.02; trans-2-butene, 0.03; i-butylene, 0.07; 1,3-butadiene, 0.12; n-pentane, 0.05; i-pentane, 0.03; 1-pentene, 0.06; n-hexane, 0.05; 1-hexene, 0.07; benzene, 0.37; toluene, 0.16.

Blake, D. R.↗
NASA NTRS2007

Opposed Jet Burner Extinction Limits: Simple Mixed Hydrocarbon Scramjet Fuels vs Air

Opposed Jet Burner tools have been used extensively by the authors to measure Flame Strength (FS) of laminar non-premixed H2 air and simple hydrocarbon (HC) air counterflow diffusion flames at 1-atm. FS represents a strain-induced extinction limit based on air jet velocity. This paper follows AIAA-2006-5223, and provides new HC air FSs for global testing of chemical kinetics, and for characterizing idealized flameholding potentials during early scramjet-like combustion. Previous FS data included six HCs, pure and N2-diluted; and three HC-diluted H2 fuels, where FS decayed very nonlinearly as HC was added to H2, due to H-atom scavenging. This study presents FSs on mixtures of (candidate surrogate) HCs, some with very high FS ethylene. Included are four binary gaseous systems at 300 K, and a hot ternary system at approx. 600 K. The binaries are methane + ethylene, ethane + ethylene, methane + ethane, and methane + propylene. The first three also form two ternary systems. The hot ternary includes both 10.8 and 21.3 mole % vaporized n-heptane and full ranges of methane + ethylene. Normalized FS data provide accurate means of (1) validating, globally, chemical kinetics for extinction of non-premixed flames, and (2) estimating (scaling by HC) the loss of incipient flameholding in scramjet combustors. The n-heptane is part of a proposed baseline simulant (10 mole % with 30% methane + 60% ethylene) that mimics the ignition of endothermically cracked JP-7 like kerosene fuel, as suggested by Colket and Spadaccini in 2001 in their shock tube Scramjet Fuels Autoignition Study. Presently, we use FS to gauge idealized flameholding, and define HC surrogates. First, FS was characterized for hot nheptane + methane + ethylene; then a hot 36 mole % methane + 64% ethylene surrogate was defined that mimics FS of the baseline simulant system. A similar hot ethane + ethylene surrogate can also be defined, but it has lower vapor pressure at 300 K, and thus exhibits reduced gaseous capacity. The new FS results refine our earlier idealized reactivity scale that shows wide ranging (50 x) diameter-normalized FSs for various HCs. These range from JP-10 and methane to H2 air, which produces an exceptionally strong flame that agrees within approx. 1% of recent 2-D numerically simulations. Finally, we continue advocating the FS approach as more direct and fundamental, for assessing idealized scramjet flameholding potentials, than measurements of unstrained laminar burning velocity or blowout in a Perfectly Stirred Reactor.

Pellett, Gerald L.↗
NASA NTRS2009

Strong Solar Control of Infrared Aurora on Jupiter: Correlation Since the Last Solar Maximum

Polar aurorae in Jupiter's atmosphere radiate throughout the electromagnetic spectrum from X ray through mid-infrared (mid-IR, 5 - 20 micron wavelength). Voyager IRIS data and ground-based spectroscopic measurements of Jupiter's northern mid-IR aurora, acquired since 1982, reveal a correlation between auroral brightness and solar activity that has not been observed in Jovian aurora at other wavelengths. Over nearly three solar cycles, Jupiter auroral ethane emission brightness and solar 10.7 cm radio flux and sunspot number are positively correlated with high confidence. Ethane line emission intensity varies over tenfold between low and high solar activity periods. Detailed measurements have been made using the GSFC HIPWAC spectrometer at the NASA IRTF since the last solar maximum, following the mid-IR emission through the declining phase toward solar minimum. An even more convincing correlation with solar activity is evident in these data. Current analyses of these results will be described, including planned measurements on polar ethane line emission scheduled through the rise of the next solar maximum beginning in 2009, with a steep gradient to a maximum in 2012. This work is relevant to the Juno mission and to the development of the Europa Jupiter System Mission. Results of observations at the Infrared Telescope Facility (IRTF) operated by the University of Hawaii under Cooperative Agreement no. NCC5-538 with the National Aeronautics and Space Administration, Science Mission Directorate, Planetary Astronomy Program. This work was supported by the NASA Planetary Astronomy Program.

Kostiuk, T.↗
NASA NTRS2011

Modification of Jupiter's Stratosphere Three Weeks After the 2009 Impact

Infrared spectroscopy sensitive to thermal emission from Jupiter's stratosphere reveals effects persisting 23 days after the impact of a body in late July 2009. Measurements obtained on 2009 August II UT at the impact latitude of 56 S (planetocentric), using the Goddard Heterodyne Instrument for Planetary Wind and Composition mounted on the NASA Infrared Telescope Facility, reveal increased ethane abundance and the effects of aerosol opacity. An interval of reduced thermal continuum emission at 11. 744 ~lm is measured ~60o-80 towards planetary east of the impact site, estimated to be at 3050 longitude (System Ill). Retrieved stratospheric ethane mole fraction in the near vicinity of the impact site is enhanced by up to -60% relative to quiescent regions at this latitude. Thermal continuum emission at the impact site, and somewhat west of it, is significantly enhanced in the same spectra that retrieve enhanced ethane mole fraction. Assuming that the enhanced continuum brightness near the impact site results from thermalized aerosol debris blocking contribution from the continuum formed in the upper troposphere and indicating the local temperature, then continuum emission by a haze layer can be approximated by an opaque surface inserted at the 45-60 mbar pressure level in the stratosphere in an unperturbed thermal profile, setting an upper limit on the pressure and therefore a lower limit on the altitude of the top of the impact debris at this time. The reduced continuum brightness east of the impact site can be modeled by an opaque surface near the cold tropopause, which is consistent with a lower altitude of ejecta/impactor-formed opacity or significantly lesser column density of opaque haze material. The physical extent of the observed region of reduced continuum implies a minimum average velocity of 21 m/s transporting material prograde (planetary east) from the impact.

Fast, Kelly E.↗
NASA NTRS2019

Quantifying the Evolution of Molecular Production Rates of Comet 21P/Giacobini–Zinner with iSHELL/NASA-IRTF

This paper presents results from our molecular characterization of comet 21P/Giacobini–Zinner during its 2018 apparition. We followed the comet during four observing runs, for a total of eight nights. The high-resolution spectra of 21P were acquired using iSHELL—the near-infrared high-resolution immersion echelle spectrograph on NASA/IRTF (Maunakea, Hawaii). We detected many cometary emission lines across four customized iSHELL settings in the (2.9–5.2) μm range. CO abundances relative to water displayed a relatively constant behavior during the observing campaign, suggesting a possible correlation between the outgassing of water and CO. While CO mixing ratios in 21P are consistent with the reference median value for Jupiter family comets (JFCs), ethane was depleted relative to the reference median value for JFCs, except for one observing run (August 8 and 9) in which ethane appeared overabundant. We consider several possible causes: an ethane outburst, decreasing outgassing of water, or a seasonal effect owing to nucleus rotation. In the pre-perihelion runs, methanol was overabundant compared with the reference median value for JFCs, however it decreased steadily to a depleted value during 21P’s post-perihelion phase, suggesting a possible seasonal effect. We report 3σ upper limits for acetylene, formaldehyde, ammonia, and methane. The ratios of our measured 3σ upper limits for acetylene and detections of hydrogen cyanide are consistent with the depletion of C2 relative to CN in 21P observed at optical wavelengths. This result confirms that 21P is depleted in the carbon-chain primary volatile responsible for C2.

Faggi, S.↗
NASA NTRS2019

Quantifying the Evolution of Molecular Production Rates of Comet 21P/Giacobini–Zinner with iSHELL/NASA-IRTF

This paper presents results from our molecular characterization of comet 21P/Giacobini-Zinner during its 2018 apparition. We followed the comet during four observing runs, for a total of 8 nights. The high-resolution spectra of 21P were acquired using iSHELL - the near-IR high resolution immersion echelle spectrograph on NASA/IRTF (Mauna Kea, Hawaii). We detected many cometary emission lines across four customized iSHELL settings in the (2.9 – 5.2) μm range. CO abundances relative to water displayed a relatively constant behavior during the observing campaign, suggesting a possible correlation between the outgassing of water and CO. While CO mixing ratios in 21P are consistent with the reference median value for Jupiter Family comets (JFCs), ethane was depleted relative to the reference median value for JFCs, excepting one observing run (8th and 9th Aug) in which ethane appeared overabundant. We consider several possible causes: an ethane outburst, decreasing outgassing of water, or a seasonal effect owing to nucleus rotation. In the pre-perihelion runs, methanol was overabundant compared with the reference median value for JFCs, however it decreased steadily to a depleted value during 21P’s post-perihelion phase, suggesting a possible seasonal effect. We report 3-s upper limits for acetylene, formaldehyde, ammonia and methane. The ratios of our measured 3-s upper limits for acetylene and detections of hydrogen cyanide are consistent with the depletion of C2 relative to CN in 21P observed at optical wavelengths. This result confirms that 21P is depleted in the carbon chain primary volatile responsible for C2 production.

Faggi S.↗
DOE OSTI2025

Impact of microkinetic modeling assumptions on predicted kinetics and mechanisms over undercoordinated sites

Accurate modeling of catalytic reactions on undercoordinated sites requires accounting for the structural and ensemble-specific nature of the active sites. This study examines how common microkinetic modeling (MKM) assumptions affect predicted kinetics and mechanisms on the stepped Pt(211) facet for the ethane dehydrogenation (EDH) and the ethane hydrogenolysis (EH). Six (211) MKMs were developed, differing in (i) the number of active sites represented, (ii) adsorbate site occupancy treatment, and (iii) inclusion of cross-facet interactions. These models are benchmarked against a particle-based microkinetic model (PB-MKM), which best represents step-edge behavior. MKM assumptions caused deviations in turnover frequencies exceeding ten orders of magnitude and led to contrasting mechanistic and selectivity predictions. Multi-site MKMs overestimate activity by inflating free site availability, single-site models underestimate activity, and uniform occupancy models overpredict coverage of multi-dentate intermediates, leading to reaction-specific artifacts. Overall, the Combined Site Edge Model (CSEM), a single-site MKM accounting for site occupancy and cross-facet interactions, most closely approximates PB-MKM predictions. All models predict similar kinetics when surfaces are clean or primarily occupied by monodentate species. This work provides practical guidance for selecting MKM frameworks for undercoordinated catalytic surfaces and highlights the critical role of modeling assumptions in catalytic predictions.

(211) facet↗
DOE OSTI2024

Low-Temperature Activation and Coupling of Methane on MgO Nanostructures Embedded in Cu 2 O/Cu(111)

Here, the efficient conversion of methane into valuable hydrocarbons such as ethane and ethylene at relatively low temperatures without deactivation issues is crucial for advancing sustainable energy solutions. Herein, AP-XPS and STM studies show that MgO nanostructures (0.2-0.5 nm wide, 0.4-0.6 Å high) embedded in a Cu 2 O/Cu(111) substrate activate methane at room temperature, mainly dissociating it into CH x (x = 2 or 3) and H adatoms, with minimal conversion to C adatoms. These MgO nanostructures in contact with Cu 2 O/Cu(111) exhibit unique reactivity, enabling C-C coupling into ethane and ethylene at 500 K, a significantly lower temperature than that required for bulk MgO catalysts (>700 K), with negligible carbon deposition and no deactivation. DFT calculations corroborate these experimental findings. The CH 4,gas → *CH 3 +*H reaction is a downhill process on MgO/Cu 2 O/Cu(111) surfaces. The activation of methane is facilitated by an electron transfer from copper to MgO and the existence of Mg and O atoms with a low coordination number in the oxide nanostructures. The formation of O-CH 3 and O-H bonds overcomes the energy necessary for the cleavage of a C-H bond in methane. DFT studies reveal that smaller Mg 2 O 2 model clusters provide stronger binding and lower activation barriers for C-H dissociation in CH 4 , while larger Mg 3 O 3 clusters promote C-C coupling due to weaker *CH 3 binding. All these results emphasize the importance of size when optimizing the catalytic performance of MgO nanostructures in the selective conversion of methane.

36 MATERIALS SCIENCE↗
NASA NTRS2022

HYPERFIRE

The two main sub-scale, ground-based rocket aerodynamics testing techniques – hot-fire testing and cold-flow testing – pose a series of tradeoffs. Hot-fire testing is generally much more accurate, but is often burdensome, costly, and requires long lead times due to design work, infrastructure preparation, etc. Cold-flow testing is much less expensive and has a rapid turnaround time, but conventional simulants (e.g., nitrogen, steam) used in cold-flow testing yield less accurate results (i.e., results that are not sufficiently representative of test article performance). While researching methods to optimize such tradeoffs, engineers at NASA’s Stennis Space Center discovered that ethane can be tuned to approximate rocket exhaust plumes generated by several common rocket propellants. This led NASA to develop the HYdrocarbon Propellants Enabling Reproduction of Flows in Rocket Engines (HYPERFIRE), a sub-scale, non-reacting flow test system. HYPERFIRE uses heated ethane to enable physical simulation of rocket engines powered by a broad range of propellants in an inexpensive, accurate, and simple fashion.

sub-scale↗
DOE OSTI2026

Neutron imaging of hydrogenous gases in porous-carbon materials around phase transitions

Focus herein is on hydrogenous gases interacting with porous-carbon materials on activated biochar at pressures ranging from 0 to 100 bar and temperatures from room (ambient) to cryogenic. Neutron radiography was conducted using a custom-made cell system to simultaneously image pure gas and gas interacting with the porous carbon. From neutron attenuation, the cross sections of methane and ethane and number concentrations were determined for different pressures and temperatures and compared with corresponding reference data. Sorption properties of the porous materials were investigated in situ with methane, ethane, and propane.

Ossler, Frederik [Lund University, Sweden]↗
DOE OSTI2025

Bulky Cation-Modified Interfaces for Thermally Stable Lead Halide Perovskite Solar Cells

Charged conjugated organic molecules offer promising prospects for reducing nonradiative recombination at interfaces in perovskite solar cells, while protecting the active layer from moisture. However, several studies have shown that the heat induced diffusion of these cations leads to irreversible solar cell degradation. Passivation molecules for perovskite can reconstruct the film surface into lower-dimensional phases when exposed to thermal stress, impeding charge extraction and affecting the photoconversion efficiency (PCE) of devices. In this work, we study how molecular interactions between passivation molecules and 3D CsFAPbI 3 perovskite impact stability and charge extraction at the perovskite/hole transport layer interfaces. Two model π- conjugated molecules are studied: 2-([2,2′-bithiophen]-5-yl)ethan-1-aminium iodide (2TI) and 2-(3‴,4′-dimethyl-[2,2′:5′,2″:5″,2‴- quaterthiophen]-5-yl)ethan-1-ammonium iodide (4TmI). We demonstrate that the speed of surface layer reconstruction under thermal stress can be controlled by the cation size and correlate these structural changes with the solar cell performance and stability. Devices treated with 2TI and 4TmI achieve PCEs over 21% and maintain their performance under thermal stress. Our findings demonstrate that thermal stability in PSCs can be achieved via the design engineering of passivation agents, offering a blueprint for developing next-generation passivation molecules.

36 MATERIALS SCIENCE↗