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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Oxygen redox activities governing high-voltage charging reversibility of Ni-rich layered cathodes

A schematic illustration indicative of the improved structural reversibility through stabilizing oxidized oxygen by Al doping. The chemical reactions and phase transitions at high voltages are generally considered to determine the electrochemical properties of high-voltage layered cathodes such as Ni-rich rhombohedral oxides. Even if significantly higher SOCs (states-of-charge) are utilized above the capability of transition metal redox (primarily Ni and Co), the effect of oxygen redox on Ni-rich rhombohedral oxides still looks mysterious thereby necessitating research that can clarify the relationship between redox reactions and phase transitions. Here, we performed a comprehensive and comparative study of the cationic and anionic redox reactions, as well as the structural evolution of a series of commercial Ni-rich layered oxides with and without Al doping. We combined the results from X-ray spectroscopy, operando electrochemical mass spectrometry, and neutron diffraction with electrochemical properties and thereby revealed the different oxygen redox activities associated with structural and electrochemical degradations. We reveal that Al doping suppresses the irreversible oxygen release but enhances the lattice oxygen oxidization. With this modulated oxygen redox activity, the Ni-rich layered oxides’ notorious H2–H3 structural phase transition becomes highly reversible. Our findings disentangle the different oxygen redox activities during high-voltage cycling and clarify the role of dopants in the Ni-rich layered oxides in terms of structural and electrochemical stability, shedding light on the future direction of optimizing layered cathode materials for safer high energy-density secondary batteries.

Lee, Gi-Hyeok↗
DOE OSTI2024

Nanotube-Supported Phospholipid Bilayers (Final Technical Report)

The overarching goal of this project was to attain fundamental understanding of structural organization, self-assembly, and function of redox-active enzymes and biological energy transduction systems localized at biological (cellular membranes) as well as manmade bio-nano interfaces. During this project we developed (1) nanopore surfaces suitable to stabilization of functional redox active enzymes and (2) experimental protocols for loading for loading of redox active enzymes into nanopores and taking advantage of self-assembly for forming layer(s) of redox active enzymes inside the nanochannels formed in anodic aluminum oxide (AAO) substrates.

14 SOLAR ENERGY↗
DOE OSTI2020

Controlling substrate temperature with infrared heating to improve mechanical properties of large-scale printed parts

Additively manufactured parts made with polymer extrusion techniques can be 50-75% weaker in the z-direction (across layers) than in the x- and y-directions. This has been attributed to poor mobility of polymer chains and a low degree of entanglement across a cold deposition interface. This is particularly a challenge when printing large-scale parts, such as with the Big Area Additive Manufacturing (BAAM) system, because layer times can exceed several minutes. The current work presents a method for controlling the temperature of the substrate material on the BAAM just prior to deposition using infrared heating lamps. Additionally, long layer times were simulated by actively cooling the material following deposition of each layer. The effect of substrate temperature on the z-direction mechanical properties of 20% carbon fiber reinforced acrylonitrile butadiene styrene (ABS) was measured for an initial temperature ranging from 50 °C to 150 °C and a preheated temperature ranging from 150 °C to 220 °C. Infrared preheating proved to be very effective when applied to substrates that had cooled considerably, almost doubling the tensile strength and increasing the fracture toughness by a factor of 7x.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Large-Eddy Simulations of Marine Boundary Layer Clouds Associated with Cold-Air Outbreaks during the ACTIVATE Campaign. Part I: Case Setup and Sensitivities to Large-Scale Forcings

Large-eddy simulation (LES) is able to capture key boundary layer (BL) turbulence and cloud processes. Yet, large-scale forcing and surface turbulent fluxes of sensible and latent heat are often poorly prescribed for LESs. We derive these quantities from measurements and reanalysis obtained for two cold-air outbreak (CAO) events during Phase I of the Aerosol Cloud Meteorology Interactions over the Western Atlantic Experiment (ACTIVATE) in February–March 2020. We study the two contrasting CAO cases by performing LES and test the sensitivity of BL structure and clouds to large-scale forcings and turbulent heat fluxes. Profiles of atmospheric state and large-scale divergence and surface turbulent heat fluxes obtained from ERA5 data agree reasonably well with those derived from ACTIVATE field measurements for both cases at the sampling time and location. Therefore, we adopt the time-evolving heat fluxes, wind, and advective tendencies profiles from ERA5 data to drive the LES. We find that large-scale thermodynamic advective tendencies and wind relaxations are important for the LES to capture the evolving observed BL meteorological states characterized by the hourly ERA5 data and validated by the observations. We show that the divergence (or vertical velocity) is important in regulating the BL growth driven by surface heat fluxes in LESs. The evolution of liquid water path is largely affected by the evolution of surface heat fluxes. The liquid water path simulated in LES agrees reasonably well with the ACTIVATE measurements. This study paves the path to investigate aerosol–cloud–meteorology interactions using LES informed and evaluated by ACTIVATE field measurements.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Quantum cascade laser with monolithically integrated passive waveguide

A photonic integrated circuit device includes a passive waveguide section formed over a substrate, a quantum cascade laser (QCL) gain section formed over the substrate and adjacent to the passive waveguide section, and a taper section disposed between and in contact with each of the passive waveguide section and the QCL gain section. In some embodiments, the passive waveguide section includes a passive waveguide core layer disposed between a first cladding layer and a second cladding layer. In some examples, the QCL gain section includes a QCL active region disposed between a first confinement layer and a second confinement layer, where the QCL active region has a lower index of refraction than each of the first and second confinement layers. In some embodiments, the taper section is configured to optically couple the QCL gain section to the passive waveguide section.

Jung, Seungyong↗
DOE OSTI2020

Visualizing Oxidation Mechanisms in Few-Layered Black Phosphorus via In Situ Transmission Electron Microscopy

Layered two-dimensional (2D) black phosphorus (BP) exhibits novel semiconducting properties including a tunable bandgap and high electron mobility. However, the poor stability of BP in ambient environment severely limits potential for application in future electronic and optoelectronic devices. While passivation or encapsulation of BP using inert materials/polymers has emerged as a plausible solution, a detailed fundamental understanding of BP's reaction with oxygen is imperative to rationally advance its use in applications. Here, we use in situ environmental transmission electron microscopy to elucidate atomistic structural changes in mechanically exfoliated few-layered BP during exposure to varying partial pressures of oxygen. An amorphous oxide layer is seen on the actively etching BP edges, and the thickness of this layer increases with increasing oxygen partial pressure, indicating that oxidation proceeds via initial formation of amorphous P x O y species which sublime to result in the etching of the BP crystal. We observe that while few-layered BP is stable under the 80 kV electron beam (e-beam) in vacuum, the lattice oxidizes and degrades at room temperature in the presence of oxygen only in the region under the e-beam. The oxidative etch rate also increases with increasing e-beam dosage, suggesting the presence of an energy barrier for the oxidation reaction. Preferential oxidative etching along the [0 0 1] and [0 0 1] crystallographic directions is observed, in good agreement with density functional theory calculations showing favorable thermodynamic stability of the oxidized BP (0 0 $\bar{1}$) planes compared to the (1 0 0) planes. Finally, we expect the atomistic insights and fundamental understanding obtained here to aid in the development of novel approaches to integrate BP in future applications.

2D materials↗
DOE OSTI2026

Facile synthesis of Co(OH)2 nanoneedle arrays grown on stainless steel for industrial electrochemical oxygen evolution reaction

The electrochemical oxygen evolution reaction (OER) is a critical half-reaction in a variety of energy conversion and storage applications, however, OER suffers from sluggish kinetics due to the four proton-electron transfer processes. To remedy this, interfacial engineering proves an effective strategy to design high active OER catalysts. Herein, we report a facile synthesis of Co(OH)2 nanoneedle (Co-NN) arrays grown on stainless steel (SS) via a one-step hydrothermal reaction, and the resultant impressive OER performance. Particularly, the Co-NN/SS needs 267, 307, and 576 mV overpotentials to reach 10, 100, and 1000 mA cm−2 in 1 M KOH & room temperature, and the overpotentials drop to 199, 257, and 283 mV to achieve the same current densities in 30 wt% KOH & 80 °C. Additionally, an alkaline water electrolysis (AWE) cell coupled with Co-NN/SS anode and PtRu/NiMo cathode only requires 1.65 and 1.73 V iR-free cell voltage to reach 1.0 and 2.0 A cm−2, respectively. The sterling OER performance could be attributed to four possible reasons, the Fe in SS surface tailoring the electronic properties of Co(OH)2, the mixed metal oxides on SS surface accelerating surface reconstruction of Co(OH)2 nanoneedles into CoOOH active species, a Ni-rich surface layer formation cooperatively boosting the OER activity, and a local electric field effect concentrating reactants on the tip surface and accelerating the mass transfer. This work provides a facile approach for synthesizing highly efficient OER catalysts for industrial applications by interfacial engineering.

Lyu, Xiang [ORNL] (ORCID:0000000208673248)↗
DOE OSTI2025

Achieving Higher Activity of Acidic Oxygen Evolution Reaction Using an Atomically Thin Layer of IrO x over Co 3 O 4

The development of electrocatalysts with reduced iridium (Ir) loading for the oxygen evolution reaction (OER) is essential to produce low-cost green hydrogen from water electrolysis under acidic conditions. Herein, an atomically thin layer of iridium oxide (IrO x ) has been uniformly dispersed onto cobalt oxide (Co 3 O 4 ) nanocrystals to improve the efficient use of Ir for acidic OER. In situ characterization and theoretical calculations reveal that compared to the conventional IrOx cluster, the atomically thin layer of IrO x shows stronger interaction with the Co 3 O 4 and consequently higher OER activity due to the Ir-O-Co bond formation at the interface. Equally important, the facile synthetic method and the promising activity in the proton exchange membrane water electrolyzer, reaching 1 A cm -2 at 1.7 V with remarkable durability, enable potential scale-up applications. In conclusion, these findings provide a mechanistic understanding for designing active, stable and lower-cost electrocatalysts with well-defined structures for acidic OER.

58 GEOSCIENCES↗
DOE OSTI2022

Effect of electrochemical cycling on microstructures of nanocomposite silicon electrodes using hyperpolarized 129 Xe and 7 Li NMR spectroscopy

The microstructural stability of composite electrodes during electrochemical cycling is critically important as it dictates the performance of Li-ion batteries. The issue becomes even more important for the high capacity alloying anode such as silicon that typically exhibits dramatic lithiation–delithiation-induced volume changes. The solid electrolyte interphase (SEI) layer formed on the active electrode surface has a profound effect on the overall microstructural stability of composite electrodes. An ideal SEI layer allows Li+ ions in and out of the electrode, but is an insulator to electrons, preventing the electrolyte from being further reduced. However, the SEI layers formed during initial lithiation may experience changes or degradation with subsequent cycling, adversely affecting the electrode performance. A combination of hyperpolarized 129 Xe and 7 Li nuclear magnetic resonance spectroscopies was applied to probe the microstructures of nanocomposite silicon electrodes at various stages of the lithiation–delithiation cycle. The results obtained from this study shed light on the degradation mechanism of nanocomposite Si electrodes upon electrochemical cycling and should prove useful in the effort to design more robust electrodes in the future.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Marine phytoplankton downregulate core photosynthesis and carbon storage genes upon rapid mixed layer shallowing

Marine phytoplankton are a diverse group of photoautotrophic organisms and key mediators in the global carbon cycle. Phytoplankton physiology and biomass accumulation are closely tied to mixed layer depth, but the intracellular metabolic pathways activated in response to changes in mixed layer depth remain less explored. Here, metatranscriptomics was used to characterize the phytoplankton community response to a mixed layer shallowing (from 233 to 5 m) over the course of two days during the late spring in the Northwest Atlantic. Most phytoplankton genera downregulated core photosynthesis, carbon storage, and carbon fixation genes as the system transitioned from a deep to a shallow mixed layer and shifted towards catabolism of stored carbon supportive of rapid cell growth. In contrast, phytoplankton genera exhibited divergent transcriptional patterns for photosystem light harvesting complex genes during this transition. Active virus infection, taken as the ratio of virus to host transcripts, increased in the Bacillariophyta (diatom) phylum and decreased in the Chlorophyta (green algae) phylum upon mixed layer shallowing. A conceptual model is proposed to provide ecophysiological context for our findings, in which integrated light limitation and lower division rates during transient deep mixing are hypothesized to disrupt resource-driven, oscillating transcript levels related to photosynthesis, carbon fixation, and carbon storage. Our findings highlight shared and unique transcriptional response strategies within phytoplankton communities acclimating to the dynamic light environment associated with transient deep mixing and shallowing events during the annual North Atlantic bloom.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Tuning In-Plane Magnetic Anisotropy and Interfacial Exchange Coupling in Epitaxial La 2/3 Sr 1/3 CoO 3 /La 2/3 Sr 1/3 MnO 3 Heterostructures

Controlling the in-plane magnetocrystalline anisotropy and interfacial exchange coupling between ferromagnetic (FM) layers plays a key role in next-generation spintronic and magnetic memory devices. In this work, we explored the effect of tuning the magnetocrystalline anisotropy of La 2/3 Sr 1/3 CoO 3 (LSCO) and La 2/3 Sr 1/3 MnO 3 (LSMO) layers and the corresponding effect on interfacial exchange coupling by adjusting the thickness of the LSCO layer (t LSCO ). The epitaxial LSCO/LSMO bilayers were grown on (110) o -oriented NdGaO 3 (NGO) substrates with a fixed LSMO (top layer) thickness of 6 nm and LSCO (bottom layer) thicknesses varying from 1 to 10 nm. Despite the small difference (~0.2%) in lattice mismatch between the two in-plane directions, [001] o and [11̅0] o , a pronounced in-plane magnetic anisotropy was observed. Soft X-ray magnetic circular dichroism hysteresis loops revealed that for t LSCO ≤ 4 nm, the easy axes for both LSCO and LSMO layers were along the [001] o direction, and the LSCO layer was characterized by magnetically active Co 2+ ions that strongly coupled to the LSMO layer. No exchange bias effect was observed in the hysteresis loops. In contrast, along the [11̅0] o direction, the LSCO and LSMO layers displayed a small difference in their coercivity values, and a small exchange bias shift was observed. As t LSCO increased above 4 nm, the easy axis for the LSCO layer remained along the [100] o direction, but it gradually rotated to the [11̅0] o direction for the LSMO layer, resulting in a large negative exchange bias shift. Therefore, we provide a way to control the magnetocrystalline anisotropy and exchange bias by tuning the interfacial exchange coupling between the two FM layers.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Three-way catalyst with reduced palladium loading and method of making the three-way catalyst

A three-way catalyst for reduced palladium loading is provided. The catalyst includes an inert substrate and a palladium catalyst material coating the substrate. The palladium catalyst material includes a support material formed from one of 10% CeO 2 /Al 2 O 3 , 20% CeO 2 —Al 2 O 3 (20CeAlOy), 30% CeO 2 —Al 2 O 3 (30CeAlOy), Al 2 O 3 , and MOx-Al 2 O 3 , wherein M is one of copper, iron, manganese, titanium, zirconium, magnesium, strontium, and barium. The palladium catalyst material includes a layer of CeO 2 material disposed upon the support material, wherein the layer of CeO 2 material is dispersed on a surface of the support material. The palladium catalyst material includes an active component including a layer of praseodymium oxide particles dispersed across the surface of the layer of CeO 2 material and a layer of palladium particles disposed upon and dispersed across the surface of the layer of CeO 2 material at locations each corresponding to a respective location of each of the praseodymium particles.

Gu, Yuntao↗
DOE OSTI2020

Investigation of the electrical behavior of AlGaN/GaN high electron mobility transistors grown with underlying GaN:Mg layer

In the current study, the electrical behavior of the AlGaN/GaN high electron mobility transistors (HEMTs) grown with an underlying GaN:Mg layer is detailed. It is shown that the activation of the buried p-GaN layer is achieved without hydrogen diffusion out of the layer. Reversal in the electrical behavior of the two-dimensional electron gas (2DEG) is also observed in the as-grown structure based on the p-GaN activation sequence. This behavior is attributed to the complex role played by hydrogen in the overgrown HEMT layers. The results of this study provide new insights into the development of metal organic chemical vapor deposition grown HEMTs with activated buried p-GaN films.

Mahaboob, Isra (ORCID:0000000171558130)↗
DOE OSTI2023

Wintertime synoptic patterns of midlatitude boundary layer clouds over the western North Atlantic: Climatology and insights from in-situ ACTIVATE observations

The winter synoptic evolution of the western North Atlantic and its influence on the atmospheric boundary layer is described by means of a regime classification based on Self Organizing Maps applied to 12 year of data (2009-2020). The regimes are classified into categories according to daily 600-hPa geopotential height: dominant ridge, trough to ridge eastward transition (trough-ridge), dominant trough, and ridge to trough eastward transition (ridge-trough). A fifth synoptic regime resembles the winter climatological mean. Coherent changes in sea-level pressure and large-scale winds are in concert with the synoptic regimes: 1) the ridge regime is associated with a well-developed anticyclone; 2) the trough-ridge gives rise to a low pressure center over the ocean, ascents, and northerly winds over the coastal zone; 3) trough is associated with the eastward displacement of a cyclone, coastal subsidence, and northerly winds, all representative characteristics of cold-air outbreaks; 4) the ridge-trough regime features the development of an anticyclone and weak coastal winds. Low clouds are characteristic of the trough regime, with both trough and trough-ridge featuring synoptic maxima in cloud droplet number concentration (N d ). The N d increase is primarily observed near the coast, concomitant with strong surface heat fluxes exceeding by more than 400 W m -2 compared to fluxes further east. Five consecutive days of aircraft observations collected during the ACTIVATE campaign corroborates the climatological characterization, confirming the occurrence of high N d for days identified as trough. This study emphasizes the role of boundary-layer dynamics and aerosol activation and their roles in modulating cloud microphysics.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Pushing the performance limits of long wavelength interband cascade lasers using innovative quantum well active regions

Here, we report significantly enhanced device performance in long wavelength interband cascade lasers (ICLs) by employing a recently proposed innovative quantum well (QW) active region containing strained InAsP layers. These ICLs were able to operate at wavelengths near 14.4 μm, the longest ever demonstrated for III–V interband lasers, implying great potential of ICLs to cover an even wider wavelength range. Also, by applying the aforesaid QW active region configuration on ICLs at relatively short wavelengths, ICLs were demonstrated at a low threshold current density (e.g., 13 A/cm 2 at 80 K) and at temperatures up to 212 K near 12.4 μm, more than 50 K higher than the previously reported ICLs with the standard W-shape QW active region at similar wavelengths. This suggests that the QW active region with InAsP layers can be used to improve device performance at the shorter wavelengths.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Contribution of the Sub-Surface to Electrocatalytic Activity in Atomically Precise La 0.7 Sr 0.3 MnO 3 Heterostructures

Electrocatalytic reactions are known to take place at the catalyst/electrolyte interface. Whereas recent studies of size-dependent activity in nanoparticles and thickness-dependent activity of thin films imply that the sub-surface layers of a catalyst can contribute to the catalytic activity as well, most of these studies consider actual modification of the surfaces. Here, in this study, the role of catalytically active sub-surface layers was investigated by employing atomic-scale thickness control of the La 0.7 Sr 0.3 MnO 3 (LSMO) films and heterostructures, without altering the catalyst/electrolyte interface. The activity toward the oxygen evolution reaction (OER) shows a non-monotonic thickness dependence in the LSMO films and a continuous screening effect in LSMO/SrRuO 3 heterostructures. The observation leads to the definition of an “electrochemically-relevant depth” on the order of 10 unit cells. This study on the electrocatalytic activity of epitaxial heterostructures provides new insight in designing efficient electrocatalytic nanomaterials and core-shell architectures.

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

Leaching Kinetics of Rare Earth Elements from Fire Clay Seam Coal

Recovery of rare earth elements (REEs) from coal samples collected from the Fire Clay coal seam using diluted mineral acid solutions was investigated. The initial processing step was coal recovery using conventional froth flotation which concentrated the REEs in tailing material resulting in an upgrade to values around 700 ppm on a dry whole mass basis. Leaching experiments were performed on the flotation tailings material using a 1.2 M sulfuric acid solution adjusted to a temperature of 75 °C to study the extractability of REEs from coal material. The effect of particle size, leaching time, leaching temperature, and solid concentration on REE leaching recovery were evaluated. The kinetic data obtained from leaching over a range of temperatures suggested that the leaching process follows the shrinking core model with possibly a mixed control mechanism that may be a result of several heterogenous materials leaching simultaneously. Leaching recovery increased rapidly at the beginning of the reaction then slowed as the system reached equilibrium. The apparent activation energy determined from test data obtained over a range of temperatures using 1 M sulfuric acid was 36 kJ/mol for the first 20 min of reaction time and 27 kJ/mol for the leaching period between 20 and 120 min. The leaching of light REEs during the initial stage was determined to be driven by a chemical reaction, followed by the formation of a product layer, which required lower activation energy in the later stage of leaching. In regards to the heavy REEs, the major mechanism for leaching is desorption and the product layer formation does not affect the heavy REEs significantly.

58 GEOSCIENCES↗