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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Dual Emission Bands of a 2D Perovskite Single Crystal with Charge Transfer State Characteristics

Several hybrid halide 2D-perovskite species emit light with an emergent and controversial broadband emission Stokes-shifted down from the narrow band emission. This work uncovers the sub- and above-bandgap emission and absorption characteristics of PEA 2 PbI 4 prepared with gap states introduced during single crystal growth. Here, gap states led to coexistent intrinsic and heterostructured electronic frameworks that are selectively accessible with ultraviolet (UV) and infrared (IR) light, respectively, resulting in the phenomenon of photoluminescence (PL) switching from narrowband green to broadband red. Electron-energy dependent cathodoluminescence shows a relative increase in the broadband red PL intensity as the electron penetration depth increases from 30 nm to 2 μm, confirming the heterostructured framework is formed in the bulk of the crystal. Excitation–emission power slope of 2.5 and up-conversion pump transient absorption (TA) spectra suggest that the IR up-conversion excitation with red photoluminescence, peaked at 655 nm, is a multiphoton process occurring in the heterostructured framework through a nonlinear optical response. The energetic pathways toward the dual emission bands are revealed by pump–probe transient absorption spectroscopy, showing energetically broad gap states with high sensitivity to an IR pump are upconverted and subsequently quickly relax from high to low energy levels within 4 ps. Furthermore, the up-conversion red PL demonstrates a linear polarization with magnetic field effects, thus affirming that the band-like heterostructured framework is crystallographically aligned with characteristics of spatially extended charge-transfer states.

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

The path to 2060: Saudi Arabia's long-term pathway for GHG emission reduction

Saudi Arabia, as part of its Saudi Green Initiative, has announced its goal to achieve net zero green-house gas emissions by 2060. This ambitious target underscores the nation's dedication to address-ing climate change. However, there is a significant gap in comprehensive analysis regarding the long-term effects of Saudi Arabia's climate policies and their collective contribution towards the net-zero objective. This study endeavors to bridge this gap through a detailed examination using the GCAM-KSA, a specialized version of the Global Change Analysis Model tailored for Saudi Arabia, employing a multi-sectoral methodology that integrates economic, energy, and land use systems within a coherent framework to assess the impact of climate policies on GHG emissions. Our anal-ysis reveals that reaching net-zero GHG emissions by 2060 is a complex challenge requiring con-certed efforts across all sectors of the economy. While transitioning to low-carbon electricity and improving energy efficiency offer considerable emission reductions, fully decarbonizing the indus-trial and transportation sectors poses a significant hurdle. Our findings suggest that Saudi Arabia must triple its emission reduction commitments in its next Nationally Determined Contributions (NDCs) update to align with its 2060 net-zero goal. Early action and increased ambition could avoid the chances of getting locked into the high emission assets and give enough time to transform the energy system. Furthermore, the adoption and integration of Carbon Dioxide Removal (CDR) tech-nologies are identified as crucial for offsetting residual emissions, especially in sectors that might continue to rely on fossil fuels.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2022

Membrane Strategies for Water Electrolysis

Hydrogen holds great promise as a clean energy resource to help the global carbon-free energy goal. Here, green hydrogen production from renewable energy-powered water electrolysis can decarbonize hard-to-abate industries and transport applications. Ion-exchange membranes are an essential component of membrane-based water electrolysis, enabling high hydrogen production efficiency through a zero-gap configuration. While perfluorosulfonic acids are the standard polymer electrolyte membrane material, research efforts for membrane alternatives have increased over the years to drive down the cost of electrolyzers and improve devices’ durability without sacrificing performance and efficiency. Here we present our perspectives on acidic, alkaline, and bipolar membranes for water electrolyzers and discuss future research directions to develop advanced membranes for green hydrogen production technology.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Vertically oriented seal system for gas turbine vanes

A seal system for a gas turbine vane includes a first seal layer and an optional second seal layer. Each first seal layer includes multiple seal segments, each of which includes a first leg, a second leg, and an intermediate portion between the first leg and the second leg. Each adjacent pair of seal segments of the first seal is separated by a gap. The seal segments define a substantially complete perimeter of a seal slot in which the first seal is installed. The second seal, which is also segmented, may or may not define the substantially complete perimeter of the seal slot. If present, the second seal segments are circumferentially offset from the first seal segments to block the gaps between the first seal segments. A turbine vane including the present seal system is also disclosed.

42 ENGINEERING↗
DOE OSTI2022

Gapless Higgs mode in the Fulde-Ferrell-Larkin-Ovchinnikov state of a superconductor

We report the Higgs mode associated with amplitude fluctuations of the superconducting gap in uniform superconductors is usually heavy, which makes its excitation and detection difficult. We report on the existence of a gapless Higgs mode in the Fulde-Ferrell-Larkin-Ovchinnikov states. This feature originates from the Goldstone mode associated with translation-symmetry breaking. The existence of the gapless Higgs mode is demonstrated by using both a phenomenological model and microscopic Bardeen-Cooper-Schrieffer (BCS) theory. The gapless Higgs mode can avoid the decay into other low-energy excitations, which renders it stable and detectable.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Pressure-stimulus-responsive behaviors of core–shell InP/ZnSe nanocrystals: remarkable piezochromic luminescence and structural assembly

Piezochromic luminescence materials with optical properties can be adjusted (the colors most sensitive to the human eye range from red to green) to provide powerful means for information acquisition in various applications. Inorganic quantum dots, typically based on heavy metals such as cadmium and lead, have congenital advantages as luminescence materials, including strong inoxidizability and excellent photoelectric properties. However, small band-gap shifts under pressure have hindered the development of inorganic-based piezochromic materials. In this study, we combined in situ high-pressure photoluminescence (PL) and absorption measurements with synchrotron X-ray scattering spectra to elucidate the remarkable modulation of optical properties and morphologies by pressure, particularly that of the piezochromic luminescence, in all-inorganic core–shell InP/ZnSe nanocrystals (NCs). We observed a stepwise PL color change from red to green, and an ultrabroad bandgap tunability of 0.46 eV was observed from 1.99 to 2.45 eV in the pressure range of 14.2 GPa for InP/ZnSe NCs. Moreover, two-dimensional (2D) InP/ZnSe nanosheets were synthesized by the stress-driven attachment of nanoparticles. These results demonstrate the ability of the pressure-stimulus response to trigger remarkable piezochromic luminescence and 2D nanosheet assembly in InP/ZnSe NCs, which paves the way for new applications of all-inorganic InP-based semiconductor NCs.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Summary of Massachusetts Clean Energy Center's Workforce Needs Assessment for the City of Lawrence

In July 2023, the Massachusetts Clean Energy Center (MassCEC) published an employment report titled “Powering the Future: A Massachusetts Clean Energy Workforce Needs Assessment.” This report was intended to support the State in meeting its 2030 decarbonization goals by identifying both existing workforce and training resources as well as gaps and barriers that need to be addressed in order to scale the State’s workforce to meet future demand. The following is a summary of the content that is relevant to Lawrence, MA. This was completed as part of the US Department of Energy’s Communities LEAP (Local Energy Action Program) Pilot supporting the Lawrence Stakeholders Coalition (LSC) led by Browning the Green Space in partnership with Groundwork Lawrence, All In Energy, and the City of Lawrence.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2025

A Full-Cell Model for Direct Toluene Electro-Hydrogenation Electrolysis

Liquid organic hydrogen carriers (LOHCs) are organic molecules that undergo a hydrogenation/dehydrogenation cycle to enable storage and transportation of hydrogen fuel under ambient conditions. One promising LOHC candidate is toluene, which can be converted to methylcyclohexane (MCH) electrochemically, enabling a decarbonized process when green electricity is used. In this study, we developed a full-cell model for the direct electro-hydrogenation of toluene to MCH, utilizing a zero-gap membrane electrode assembly architecture. The model incorporates electrochemical kinetics, ionic transport, water transport across the membrane, and mass transport effects. Electrochemical kinetics are characterized using Tafel analysis on Pt/Ru catalyst. The model is validated against experimental data, including polarization curves, Faradaic efficiencies, and water crossover. A voltage breakdown analysis shows that the performance is dominated by kinetic losses, and the model is used to carry out a comparison of different toluene electro-hydrogenation reaction catalysts. Finally, a sensitivity analysis is conducted on key design parameters illustrating which can be modified to maximize electrolyzer performance. The cathode specific surface area and cathode porous transport layer thickness (PTL) have the largest impact on the current density, while the PTL thickness and Pt loading in the PTL have the largest impact on Faradaic efficiency.

Ehlinger, Victoria M. [Lawrence Livermore National↗
DOE OSTI2020

Quasiparticle self-consistent $GW$ energy band calculations for $\mathrm{Ge_3N_4}$ phases

Quasiparticle self-consistent GW (G Green's function, W screened Coulomb interaction) band structure calculations are presented for the α, β, and γ phases of Ge 3 N 4 . The GW corrections to the gap are substantial and the gaps are found to be 3.85, 3.86, and 3.56 eV for α, β, γ respectively, at the experimental lattice constants. Only the β phase has a direct gap. The α and β phases, which are closely related to each other in crystal structure, are consequently also found to have rather similar band structures. Nonetheless, some significant differences are found near the valence band maximum, which are related to the different interlayer interactions in the c direction. In the cubic spinel phase, the conduction band minima of s and p character are found close to each other. Effective masses are calculated for the relevant valence and conduction band edges and for the cubic case analyzed in terms of the Kohn-Luttinger effective Hamiltonian. Finally, the optical response functions from direct interband transitions are calculated.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Synergetic Use of the WSR-88D Radars, GOES-R Satellites, and Lightning Networks to Study Microphysical Characteristics of Hurricanes

Abstract This study analyzes the microphysics and precipitation pattern of Hurricanes Harvey (2017) and Florence (2018) in both the eyewall and outer rainband regions. From the retrievals by a satellite red–green–blue scheme, the outer rainbands show a strong convective structure while the inner eyewall has less convective vigor (i.e., weaker upper-level reflectivities and electrification), which may be related to stronger vertical wind shear that hinders fast vertical motions. The WSR-88D column-vertical profiles further confirm that the outer rainband clouds have strong vertical motion and large ice-phase hydrometeor formation aloft, which correlates well with 3D Lightning Mapping Array source counts in height and time. From the results from this study, it is determined that the inner eyewall region is dominated by warm rain, whereas the external rainband region contains intense mixed-phase precipitation. External rainbands are defined here as those that reside outside of the main hurricane circulation, associated with surface tropical storm wind speeds. The synergy of satellite and radar dual-polarization parameters is instrumental in distinguishing between the key microphysical features of intense convective rainbands and the warm-rain-dominated eyewall regions within the hurricanes. Substantial amounts of ice aloft and intense updrafts in the external rainbands are indicative of heavy surface precipitation, which can have important implications for severe weather warnings and quantitative precipitation forecasts. The novel part of this study is to combine ground-based radar measurement with satellite observations to study hurricane microphysical structure from surface to cloud top so as to fill in the gaps between the two observational techniques.

Meteorology & Atmospheric Sciences↗
DOE OSTI2021

Spectroscopic evidence for the direct involvement of local moments in the pairing process of the heavy-fermion superconductor CeCoIn 5

The microscopic mechanism for electron pairing in heavy-fermion superconductors remains a major challenge in quantum materials. Some form of magnetic mediation is widely accepted with spin fluctuations as a prime candidate. A novel mechanism, “composite pairing” based on the cooperative two-channel Kondo effect directly involving the f -electron moments, has also been proposed for some heavy-fermion compounds including CeCoIn 5 . The origin of the spin-resonance peak observed in neutron-scattering measurements on CeCoIn 5 is still controversial and the corresponding hump-dip structure in the tunneling conductance is missing. This is in contrast to the cuprate and Fe-based high-temperature superconductors, where both characteristic signatures are observed, indicating spin fluctuations are likely involved in the pairing process. In this study, we report results from planar tunneling spectroscopy along three major crystallographic orientations of CeCoIn 5 over wide ranges of temperature and magnetic field. The pairing gap opens at T p ~ 5 K , well above the bulk T c = 2.3 K , and its directional dependence is consistent with d x 2 – y 2 symmetry. With increasing magnetic field, this pairing gap is suppressed as expected but, intriguingly, a gaplike structure emerges smoothly, increasing linearly up to the highest field applied. This field-induced gaplike feature is only observed below T p . The concomitant appearance of the pairing gap and the field-induced gaplike feature, along with its linear increase with field, indicates that the f -electron local moments are directly involved in the pairing process in CeCoIn 5 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

The age and potential causes of the giant Green Lake Landslide, Fiordland, New Zealand

Abstract Landslide deposits preserved in the geological record afford opportunities to better inform hillslope and seismic hazard and risk models, particularly in regions where observational records are short. In the Southern Alps of New Zealand, small coseismic landslides are frequent, but the geological record preserves several instances of more substantial (> 1 km 3 ) but infrequent mass failures. With an estimated volume of 27 km 3 , the giant Green Lake Landslide represents one of the largest subaerial landslides on Earth. Previous work has suggested this deep-seated mass movement was most likely triggered by high-intensity seismic shaking, but that local structural weakness and/or glacial debuttressing may help to explain the anomalously large failure volume. Resolving the potential contribution of the latter is important given predictions concerning alpine deglaciation in the coming decades to centuries. Key to resolution are secure chronologies of landslide emplacement and past glacier change. Here we present in situ cosmogenic 10 Be exposure ages from the Green Lake Landslide that suggest an emplacement age of 15.5 ± 0.7 ka. Recent work shows that glacial retreat in the region was underway by 19 ka, indicating that the Green Lake Landslide was emplaced 3–4 kyr after the onset of glacier retreat. Given the geometry of the former confining valley glacier, we expect that the deglaciation-landslide age gap is closer to the upper end of this estimate. If correct, this conclusion places greater weight on the roles of local geological structure and/or a great earthquake as factors contributing to the exceptionally large volume of this event.

58 GEOSCIENCES↗
DOE OSTI2023

Cutting-edge methods for amplifying the oxygen evolution reaction during seawater electrolysis: a brief synopsis

Electrochemical water splitting has been considered a clean and continual way for hydrogen (H 2 ) production. Direct seawater electrolysis is a potentially attractive technology due to the ample access to seawater and scarce freshwater resources in some regions. However, the presence of impurities (e.g., Cl - , Mg 2+ ) and the resulting corrosion and side reactions, such as the chloride oxidation reaction (ClOR), makes seawater electrocatalysis more challenging than that of fresh or alkaline water due to competition with the oxygen evolution reaction (OER) at the anode. Consequently, much effort has been devoted to developing approaches to enhance OER performance and suppress the ClOR. In this minireview, we summarize three general strategies for enhancing OER activity and selectivity in seawater electrolysis based on three different concepts: (1) the sole development of robust and high-performance OER catalysts in pure seawater electrolytes, (2) the introduction of additives to seawater electrolytes (e.g., alkalis and/or salts without chloride) to enhance the potential equilibrium gap between the ClOR and OER in combination with regular highly active OER catalysts, and (3) a combination of approaches (1) and (2). Finally, the current challenges and potential opportunities for green H 2 production from seawater electrolysis are briefly presented.

08 HYDROGEN↗
DOE OSTI2022

Bandgap analysis and carrier localization in cation-disordered ZnGeN 2

The bandgap of ZnGeN 2 changes with the degree of cation site disorder and is sought in light emitting diodes for emission at green to amber wavelengths. By combining the perspectives of carrier localization and defect states, we analyze the impact of different degrees of disorder on electronic properties in ZnGeN 2 , addressing a gap in current studies, which largely focus on dilute or fully disordered systems. The present study demonstrates changes in the density of states and localization of carriers in ZnGeN 2 calculated using bandgap-corrected density functional theory and hybrid calculations on partially disordered supercells generated using the Monte Carlo method. We use localization and density of states to discuss the ill-defined nature of a bandgap in a disordered material and identify site disorder and its impact on the structure as a mechanism controlling electronic properties and potential device performance. Decreasing the order parameter results in a large reduction of the bandgap. The reduction in bandgap is due, in part, to isolated, localized states that form above the valence band continuum associated with nitrogen coordinated by more zinc than germanium. The prevalence of defect states in all but the perfectly ordered structure creates challenges for incorporating disordered ZnGeN 2 into optical devices, but the localization associated with these defects provides insight into the mechanisms of electron/hole recombination in the material.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Multi-scale integration of satellite remote sensing improves characterization of dry-season green-up in an Amazon tropical evergreen forest

In tropical forests, leaf phenology-particularly the pronounced dry-season green-up-strongly regulates biogeochemical cycles of carbon and water fluxes. However, uncertainties remain in the understanding of tropical forest leaf phenology at different spatial scales. Phenocams accurately characterize leaf phenology at the crown and ecosystem scales but are limited to a few sites and time spans of a few years. Time-series satellite observations might fill this gap, but the commonly used satellites (e.g. MODIS, Landsat and Sentinel-2) have resolutions too coarse to characterize single crowns. To resolve this observational challenge, we used the PlanetScope constellation with a 3m resolution and near daily nadir-view coverage. We first developed a rigorous method to cross-calibrate PlanetScope surface reflectance using daily BRDF-adjusted MODIS as the reference. We then used linear spectral unmixing of calibrated PlanetScope to obtain dry-season change in the fractional cover of green vegetation (GV) and non-photosynthetic vegetation (NPV) at the PlanetScope pixel level. We used the Central Amazon Tapajos National Forest k67 site, as all necessary data (from field to phenocam and satellite observations) was available. For this proof of concept, we chose a set of 22 dates of PlanetScope measurements in 2018 and 16 in 2019, all from the six drier months of the year to provide the highest possible cloud-free temporal resolution. Our results show that MODIS-calibrated dry-season PlanetScope data (1) accurately assessed seasonal changes in ecosystem-scale and crown-scale spectral reflectance; (2) detected an increase in ecosystem-scale GV fraction (and a decrease in NPV fraction) from June to November of both years, consistent with local phenocam observations with R 2 around 0.8; and (3) monitored large seasonal trend variability in crown-scale NPV fraction. Finally, our results highlight the potential of integrating multi-scale satellite observations to extend fine-scale leaf phenology monitoring beyond the spatial limits of phenocams.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Bandgap Engineering of Ga 2 O 3 by MOCVD Through Alloying with Indium

Ga 2 O 3 and In 2 O 3 are vital semiconductors with current and future electronic device applications. Here, we study the alloying of In 2 O 3 and Ga 2 O 3 (IGO) and the associated changes in structure, morphology, band gap, and electrical transport properties. Undoped films of IGO were deposited on sapphire substrates with varying indium (In) percentage from zero to 100% by metal-organic chemical vapor deposition (MOCVD). Some films were annealed in H 2 to induce electrical conductivity. The measurements showed the optical band gap decreased by adding In; this was confirmed by density functional (DFT) calculations, which revealed that the nature of the valence band maximum and conduction band minimum strongly relate to the chemistry and that the band gap drops by adding In. The as-grown films were highly resistive except for pure In 2 O 3 , which possesses p-type conductivity, likely arising from In vacancy-related acceptor states. N-type conductivity was induced in all films after H-anneal. DFT calculations revealed that the presence of In decreases the electron effective mass, which is consistent with the electrical transport measurements that showed higher electron mobility for higher In percentage. The work revealed the successful band gap engineering of IGO and the modification of its band structure while maintaining high-quality films by MOCVD.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Leaving in the lead: Priorities for perovskite photovoltaics

The need for moving electricity generation to a sustainable model requires the development of low cost ubiquitous photovoltaics (PVs) to harvest the planet’s primary energy source, the Sun. Building upon the successes of Si-based and CdTe-based PV technologies, PVs with lower-embodied energy and requiring lower carbon dioxide equivalent to produce will be required to meet long-term sustainability goals. In particular, thin-film technologies, such as high-efficiency metal halide perovskite (MHP) PV modules, provide avenues to reduced embodied energy, lower energy payback times, and enabling energy-dense tandems [H. M. Wikoff et al., Joule 6(7), 1710–1725 (2022) and V. Fthenakis, Renewable Sustainable Energy Rev. 13(9), 2746–2750 (2009)]. The ability to improve efficiency and lower energy payback time of next generation thin-film PV modules is a critical foundation for green H2 and electrification more broadly. In this regard, Pb-based MHP-PVs have separated themselves as a result of the high-efficiencies that can be realized across a range of electronic gaps. Questions regarding Pb-based MHP-PVs that are often asked, as the challenges of efficiency and reliability are met, revolve around the “problem” of the Pb content. Specifically, “does Pb toxicity preclude MHP-PV modules from being deployed at the TW scale?” To provide this sense of scale, in 2021, the United States burned 10.5 quads of coal, with 90% of that used for electricity generation. Given the energy content of coal of 29 MJ/kg and a residual lead content in that coal of 30 mg/kg, electricity generation from coal resulted in more lead emitted into the atmosphere than what would be required to produce over 2 TW of MHP-PV name plate capacity (assuming a 20% module efficiency and an ∼700 nm active layer). This amounts to more PV power than has been deployed across all PV technologies and geographies to date. This only includes US coal consumption; the rest of the world would be much larger. This example illustrates the scale of the material usage relative to the energy production. Imagine a power-generation technology that offsets these Pb emissions from coal and essentially sequesters this Pb content between two sheets of impermeable glass. Why should we let Pb’s history of misuse prevent it from being included in next generation PV modules that can enable a sustainable energy future?

14 SOLAR ENERGY↗
DOE OSTI2020

What Is in Umbilicaria pustulata? A Metagenomic Approach to Reconstruct the Holo-Genome of a Lichen

Lichens are valuable models in symbiosis research and promising sources of biosynthetic genes for biotechnological applications. Most lichenized fungi grow slowly, resist aposymbiotic cultivation, and are poor candidates for experimentation. Obtaining contiguous, high-quality genomes for such symbiotic communities is technically challenging. Here, we present the first assembly of a lichen holo-genome from metagenomic whole-genome shotgun data comprising both PacBio long reads and Illumina short reads. The nuclear genomes of the two primary components of the lichen symbiosis—the fungus Umbilicaria pustulata (33 Mb) and the green alga Trebouxia sp. (53 Mb)—were assembled at contiguities comparable to single-species assemblies. The analysis of the read coverage pattern revealed a relative abundance of fungal to algal nuclei of ~20:1. Gap-free, circular sequences for all organellar genomes were obtained. The bacterial community is dominated by Acidobacteriaceae and encompasses strains closely related to bacteria isolated from other lichens. Gene set analyses showed no evidence of horizontal gene transfer from algae or bacteria into the fungal genome. Our data suggest a lineage-specific loss of a putative gibberellin-20-oxidase in the fungus, a gene fusion in the fungal mitochondrion, and a relocation of an algal chloroplast gene to the algal nucleus. Major technical obstacles during reconstruction of the holo-genome were coverage differences among individual genomes surpassing three orders of magnitude. Moreover, we show that GC-rich inverted repeats paired with nonrandom sequencing error in PacBio data can result in missing gene predictions. This likely poses a general problem for genome assemblies based on long reads.

54 ENVIRONMENTAL SCIENCES↗