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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 955 records · Page 53

The interplay of structural and optical properties in individual ZnO nanostructures

Semiconductor nanostructures exhibit unique properties distinct from their bulk counterparts by virtue of nanoscale dimensions; in particular, exceptionally large surface area-to-volume ratios relative to that of the bulk produce variations in surface state populations that have numerous consequences on materials properties. Of the low-dimensional semiconductor nanostructures, nanowires offer a unique prospect in nanoscale optoelectronics due to their one-dimensional architecture. Already, many devices based upon individual nanowires have been demonstrated, but questions about how nano-size and structural variations affect the underlying materials properties still remain unanswered. Here, we focus on understanding the growth mechanism and kinetics of ZnO nanowires and related nanowalls, and their effects on nanoscale structural and optical properties.

36 MATERIALS SCIENCE↗

Mechanical and chemical recycling of solid plastic waste

Highlights: • This paper reviews the current pathways for recycling of solid plastic waste, via both mechanical and chemical recycling. • The predominant industrial technologies, design strategies and recycling examples of specific waste streams are reviewed. • The main challenges and some potential remedies are discussed. - Abstract: This review presents a comprehensive description of the current pathways for recycling of polymers, via both mechanical and chemical recycling. The principles of these recycling pathways are framed against current-day industrial reality, by discussing predominant industrial technologies, design strategies and recycling examples of specific waste streams. Starting with an overview on types of solid plastic waste (SPW) and their origins, the manuscript continues with a discussion on the different valorisation options for SPW. The section on mechanical recycling contains an overview of current sorting technologies, specific challenges for mechanical recycling such as thermo-mechanical or lifetime degradation and the immiscibility of polymer blends. It also includes some industrial examples such as polyethylene terephthalate (PET) recycling, and SPW from post-consumer packaging, end-of-life vehicles or electr(on)ic devices. A separate section is dedicated to the relationship between design and recycling, emphasizing the role of concepts such as Design from Recycling. The section on chemical recycling collects a state-of-the-art on techniques such as chemolysis, pyrolysis, fluid catalytic cracking, hydrogen techniques and gasification. Additionally, this review discusses the main challenges (and some potential remedies) to these recycling strategies and ground them in the relevant polymer science, thus providing an academic angle as well as an applied one.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

High-Efficiency, Medium-Voltage-Input, Solid-State-Transformer-Based 400-kW/1000V/400A Extreme Fast Charger for Electric Vehicles

Range anxiety and long battery charging time continue to be critical challenges to mass adaptation of EVs. A major identified gap to wider adoption of BEVs is the ability and availability to refuel quickly or to fast charge. Studies have shown that in areas where drivers have access to 50-kW or 120-kW fast charge stations, annual electric vehicle (EV) miles traveled (i.e., eVMT) increased by over 25%, even in cases where fast charging was used for 1% to 5% of total charging events. Charge stations of higher power not only alleviate the “range anxiety” and reduce the driver’s waiting time, but also requires less investment. Michigan Energy Office completed a study in early 2019 titled “Electric Vehicle Charger Placement Optimization in Michigan: Phase I – Highways”. This study finds a system with 150kW chargers, though more expensive individually, actually has lower total system cost when compared to a 50kW charging system when serving the same battery size EV. To be truly competitive to the ICEV refueling experience, even higher power stations are necessary. However, high power charge stations would create large power draws from the grid. If this occurs during peak demand periods, grid capacity could be overloaded. This problem needs to be addressed to reduce the impact on the electric utility infrastructure. The main goal of this project is to develop a 400-kW/400-A XFC system targeting total efficiency of 96.5 percent from the MVAC grid to a vehicle. The novel SST power cell topology, combined with a new silicon carbide (SiC) MOSFET device, enables a 3.5 percent improvement in system efficiency, a 50-percent smaller equipment footprint, and four times less weight than today’s DCFC systems. The SST technology would directly utilize MVAC at 4.8-kV or 13.2-kV. This would eliminate the line frequency transformer (LFT), which steps down medium-voltage AC to 3-Phase 480-V line-to-line voltage in current DCFC systems.

42 ENGINEERING↗

Probing long-range carrier-pair spin–spin interactions in a conjugated polymer by detuning of electrically detected spin beating

Here, weakly coupled electron spin pairs that experience weak spin–orbit interaction can control electronic transitions in molecular and solid-state systems. Known to determine radical pair reactions, they have been invoked to explain phenomena ranging from avian magnetoreception to spin-dependent charge-carrier recombination and transport. Spin pairs exhibit persistent spin coherence, allowing minute magnetic fields to perturb spin precession and thus recombination rates and photoreaction yields, giving rise to a range of magneto-optoelectronic effects in devices. Little is known, however, about interparticle magnetic interactions within such pairs. Here we present pulsed electrically detected electron spin resonance experiments on poly(styrene-sulfonate)-doped poly(3,4-ethylenedioxythiophene) (PEDOT:PSS) devices, which show how interparticle spin–spin interactions (magnetic-dipolar and spin-exchange) between charge-carrier spin pairs can be probed through the detuning of spin-Rabi oscillations. The deviation from uncoupled precession frequencies quantifies both the exchange (<30 neV) and dipolar (23.5±1.5 neV) interaction energies responsible for the pair’s zero-field splitting, implying quantum mechanical entanglement of charge-carrier spins over distances of 2.1±0.1 nm.

36 MATERIALS SCIENCE↗

Mixed-valence halide perovskites

Mixed-valence compounds—which feature an element in at least two different oxidation states—can display emergent optical and transport phenomena stemming from electron transfer between the different valences (intervalence charge-transfer; IVCT). As halide perovskites show promise as active materials in numerous optoelectronic devices, it is an opportune moment to incorporate and study the effects of mixed-valence in this versatile materials family, to access tunable electronic structures ranging from insulators to semiconductors to metals. Herein, we introduce the basic concepts of mixed-valence in molecules and discuss how these concepts may be extended to mixed-valence in extended solids. We then review the few studies of mixed valence in 3D and 2D halide perovskites and halide perovskites with mixed-valence impurities, ranging from studies in the early 1900s to the present day. In conclusion, through judicious choice of metal ion, its coordinating ligands and their geometry, and overall structural dimensionality, chemists can exert powerful synthetic control over electronic delocalization in mixed-valence perovskites, and we hope to see this intriguing materials class expand to encompass new compositions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Evidence of trap-assisted Auger recombination in low radiative efficiency MBE-grown III-nitride LEDs

By studying low radiative efficiency blue III-nitride light emitting diodes (LEDs), we find that the ABC model of recombination commonly used for understanding efficiency behavior in LEDs is insufficient and that additional effects should be taken into account. We propose a modification to the standard recombination model by incorporating a bimolecular nonradiative term. The modified model is shown to be in much better agreement with the radiative efficiency data and to be more consistent than the conventional model with very short carrier lifetimes measured by time-resolved photoluminescence in similar, low radiative efficiency material. Here, we present experimental evidence that a hot carrier-generating process is occurring within these devices, in the form of measurements of forward photocurrent under forward bias. The forward photocurrent, due to hot carrier generation in the active region, is present despite the lack of any "efficiency droop"-the usual signature of band-to-band Auger recombination in high-quality III-nitride LEDs. Hot carrier generation in the absence of band-to-band Auger recombination implies that some other source of hot carriers exists within these low radiative efficiency devices, such as trap-assisted Auger recombination.

36 MATERIALS SCIENCE↗

Capability in Theory, Modeling, and Validation for a Range of Innovative Fusion Concepts using High-Fidelity Moment-Kinetic Models

A computational modeling capability is created and available to the fusion community to understand and design lower-cost and innovative fusion concepts. The approach uses high- fidelity kinetic, moment-kinetic, and moment models and includes sophisticated plasma- boundary interactions. A majority of fusion-relevant simulations are performed with magnetohydrodynamic models and hybrid particle-in-cell codes, with limited-fidelity electron and kinetic physics. However, in fusion configurations like Z-pinches, field-reversed- configurations, plasma jet magneto-inertial fusion, spinning mirrors, and others, kinetic effects (both electron and ions) are critical to understand the physics and design scaling into the highly kinetic regime of a burning fusion plasma. Furthermore, as present fusion machines move towards a burning plasma regime, liquid-metal blankets are needed to handle first-wall heat- flux, reduce erosion, and eventually for energy conversion and fuel breeding. The work performed under this ARPA-E BETHE Capability Team advances the state-of-the-art in modeling and understanding plasma dynamics in fusion devices and its coupling with liquid-metal dynamics. These are critical areas of research for fusion energy to become realizable. To address these complex problems, we have leveraged and extended computational capabilities through the code, Gkeyll (developed jointly with Princeton Plasma Physics Laboratory and academic partners), for kinetic and moment modeling of fusion plasmas. The Concept Teams supported by this Capability Team include the Wisconsin High-field Axisymmetric Mirror (WHAM), Centrifugal Mirror Experiment (CFME), Plasma-Jet Magneto- Inertial Fusion (PJMIF), and solid and liquid wall plasma-material interaction studies relevant to a number of fusion concepts including Zap Energy’s Z-pinch. This software is open-source and available to the fusion community as a high-fidelity tool for the design of lower-cost fusion experiments. 3D gyrokinetic simulations of WHAM are now possible for long enough time scales to understand the evolution of interchange instabilities. 3D multi-fluid simulations of CMFE at higher Mach numbers are now possible for detailed design iterations with the goal of stability. The state-of-the-art in understanding shock formation and shock mitigation regimes in merging liners for PJMIF have been furthered by our kinetic simulations. Our novel models and frameworks studying plasma-material interaction by incorporating wall emission for various solid wall materials of relevance to pulsed and steady fusion concepts have advanced the state-of-the-art in our understanding of particle fluxes, heat fluxes, and other quantities at cathodes and anodes. The results from this work may explain discrepancies between experimental and theoretical predictions of achieved current densities in pulsed concepts such as Z-pinches. Another significant contribution of this Capability Team is the development and deployment of a novel experimental platform, LEX (Liquid Electrode eXperiment), at Virginia Tech to understand liquid metal free-surface response to electromagnetic pulses. The novel experiments along with model validation quantified the effect of different materials and sizes of liquid metal droplets on the radiative power balance of fusion plasmas for pulsed concepts. Furthermore, these experiments provided mitigation strategies for violent liquid metal response for high current pulses as would be expected in fusion regimes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

An Iron-Decorated Carbon Aerogel for Rechargeable Flow and Flexible Zn–Air Batteries

Mechanically stable and foldable air cathodes with exceptional oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) activities are key components of wearable metal-air batteries. Herein, a directional freeze-casting and annealing approach is reported for the construction of a 3D honeycomb nanostructured, N,P-doped carbon aerogel incorporating in situ grown FeP/Fe 2 O 3 nanoparticles as the cathode in a flexible Zn-air battery (ZAB). The aqueous rechargeable Zn-air batteries assembled with this carbon aerogel exhibit a remarkable specific capacity of 648 mAh g -1 at a current density of 20 mA cm -2 with a good long-term durability, outperforming those assembled with commercial Pt/C+RuO 2 catalyst. Furthermore, such a foldable carbon aerogel with directional channels can serve as a freestanding air cathode for flexible solid-state Zn-air batteries without the use of carbon paper/cloth and additives, giving a specific capacity of 676 mAh g -1 and an energy density of 517 Wh kg -1 at 5 mA cm -2 together with good cycling stability. This work offers a new strategy to design and synthesize highly effective bifunctional air cathodes to be applied in electrochemical energy devices.

25 ENERGY STORAGE↗

Low-Temperature Ionic Conductivity Enhanced by Disrupted Ice Formation in Polyampholyte Hydrogels

Here, the phase behavior of water in hydrogels has a broad impact on many health and energy applications. Our previous study showed that polyampholyte hydrogel has the potential to be used as an aqueous gel electrolyte in electrochemical storage devices at -30 °C due to enhanced low-temperature conductivity. In this study, we detail the impact polymer structure has on this enhanced conductivity, explaining this finding with a model charge-balanced polyampholyte, poly(4-vinylbenzenesulfonate- co -[3-(methacryloylam ino)propyl] trimethylammonium chloride), a hydrogel whose polymer and water structures are probed by variable-temperature SAXS, WAXS, and solid-state NMR spectroscopy. SAXS results at room temperature indicate a networked globule structure in the charge-balanced polyampholyte hydrogels. The globular radius of gyration is ~ 2.5 nm, whereas the globular size and its clustering structure are dependent on synthesis parameters. Variable-temperature SAXS data reveal a temperature-dependent structure evolution of the polyampholyte hydrogel. An interconnected globular network structure of polymer-rich phase at low temperature, observed by electron microscopy, is suggested to preserve ion-conducting channels of nonfrozen water molecules at low temperatures. This hypothesis is further supported by solid-state NMR spectroscopy. Together these findings provide macromolecular- and molecular-level insight that may be used to design gel electrolytes for enhanced low-temperature performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Universal Dynamics of Molecular Reorientation in Hybrid Lead Iodide Perovskites

The role of organic molecular cations in the high-performance perovskite photovoltaic absorbers, methylammonium lead iodide (MAPbI 3 ) and formamidinium lead iodide (FAPbI 3 ), has been an enigmatic subject of great interest. Beyond aiding in the ease of processing of thin films for photovoltaic devices, there have been suggestions that many of the remarkable properties of the halide perovskites can be attributed to the dipolar nature and the dynamic behavior of these cations. Herein, we determine the dynamics of the molecular cations in FAPbI 3 between 4 K and 340 K and the nature of their interaction with the surrounding inorganic cage using a combination of solid state nuclear magnetic resonance and dielectric spectroscopies, neutron scattering, calorimetry, and ab initio calculations. Detailed comparisons with the reported temperature dependence of the dynamics of MAPbI 3 are then carried out which reveal the molecular ions in the two different compounds to exhibit very similar rotation rates (≈8 ps) at room temperature, despite differences in other temperature regimes. For FA, rotation about the N···N axis, which reorients the molecular dipole, is the dominant motion in all phases, with an activation barrier of ≈21 meV in the ambient phase, compared to ≈110 meV for the analogous dipole reorientation of MA. Geometrical frustration of the molecule–cage interaction in FAPbI 3 produces a disordered γ-phase and subsequent glassy freezing at yet lower temperatures. Hydrogen bonds suggested by atom–atom distances from neutron total scattering experiments imply a substantial role for the molecules in directing structure and dictating properties. The temperature dependence of reorientation of the dipolar molecular cations systematically described here can clarify various hypotheses including those of large-polaron charge transport and fugitive electron spin polarization that have been invoked in the context of these unusual materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Solid State Power Substation DC Node Optimization and Controller Hardware-In-The-Loop Demonstration

A solid state power substation (SSPS) node is a microgrid that integrates distributed energy resources and loads and injects/absorbs power to/from the SSPS distribution network. It is an essential building block of a futuristic distribution grid network. This paper presents the development and demonstration of optimization use cases of a SSPS DC node. By adopting multi-layer hierarchical control architecture and developing automatic device identification and dynamic optimization formulation algorithms, the SSPS DC node can perform plug-and-play resource integration and seamless transition of the optimized node operation under on and off grid condition without sophisticated algorithms, control mode changes, and user interactions. Four optimization use cases including economic dispatches with price signal changes, a sudden PV power drop, and a single directional meter and its associated costs with sending power back to the grid, and resiliency under a grid inverter trip condition were demonstrated through the real-time controller hardware-in-the-loop simulation.

Kim, Namwon↗

Neutron Imaging Developments at LANSCE [PowerPoint]

Thermal, epithermal, and high-energy neutrons are available from two spallation sources at the 800-MeV proton accelerator. Improvements in detectors and computing have enabled new capabilities that use the pulsed beam properties at LANSCE; these include amorphous Si (aSi) detectors, intensified charge-coupled device cameras, and micro-channel plates. Applications include water flow in living specimens, inclusions and fission products in uranium oxide, and high-energy neutron imaging using an aSi flat panel with ZnS(Ag) scintillator screen. images of a metal/plastic cylinder from photons, low-energy and high-energy neutrons are compared.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Plasmon Mediated Near–Field Energy Transfer From Solid–State, Electrically Injected Excitons to Solution Phase Chromophores

An organic diode is demonstrated that near-field energy transfers to molecules in solution via surface plasmon polaritons, in contrast to typical far-field excitation via absorption of traveling photons. Electrically generated excitons couple to surface plasmon modes in the cathode; the plasmons subsequently excite chromophore molecules on top of the cathode. External quantum efficiency and time resolved photoluminescence measurements are used to characterize the diode and the near-field energy transfer process. In addition, it is shown that excited chromophores can charge-transfer to quencher molecules, illustrating the potential of this device to be used for photochemical applications.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

A highly active, CO 2 -tolerant electrode for the oxygen reduction reaction

One challenge facing the development of high-performance cathodes for solid oxide fuel cells (SOFC) is the fast degradation rate of cathodes due to poisoning by contaminants commonly encountered in ambient air such as CO 2 . In this paper we report a double perovskite PrBa 0.8 Ca 0.2 Co 2 O 5+δ (PBCC) cathode with excellent ORR activity and remarkable CO 2 tolerance under realistic operation conditions. When tested in a symmetrical cell in air with ~1 vol% CO 2 at 750 °C, the PBCC electrode shows an area specific resistance of ~0.024 Ω cm 2 , which increases to 0.028 Ω cm 2 after 1000 h operation. The degradation rate is ~1/24 of that of the state-of-the-art La 0.6 Sr 0.4 Co 0.2 Fe 0.8 O 3 (LSCF) cathode under the same conditions. Impedance spectroscopy and in situ surface enhanced Raman spectroscopy analyses indicate that the surface of the PBCC electrode is much more active for oxygen exchange and more robust against CO 2 than that of LSCF, as confirmed by density functional theory calculations. The fast ORR kinetics and excellent durability of PBCC in air with CO 2 highlight the potential of PBCC as a highly promising material for devices involving oxygen electrochemistry such as solid oxide fuel cells, electrolysis cells, or gas separation membranes.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Orbital-flop Induced Magnetoresistance Anisotropy in Rare Earth Monopnictide CeSb

Abstract The charge and spin of the electrons in solids have been extensively exploited in electronic devices and in the development of spintronics. Another attribute of electrons—their orbital nature—is attracting growing interest for understanding exotic phenomena and in creating the next-generation of quantum devices such as orbital qubits. Here, we report on orbital-flop induced magnetoresistance anisotropy in CeSb. In the low temperature high magnetic-field driven ferromagnetic state, a series of additional minima appear in the angle-dependent magnetoresistance. These minima arise from the anisotropic magnetization originating from orbital-flops and from the enhanced electron scattering from magnetic multidomains formed around the first-order orbital-flop transition. The measured magnetization anisotropy can be accounted for with a phenomenological model involving orbital-flops and a spin-valve-like structure is used to demonstrate the viable utilization of orbital-flop phenomenon. Our results showcase a contribution of orbital behavior in the emergence of intriguing phenomena.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Solid-phase hetero epitaxial growth of α-phase formamidinium perovskite

Conventional epitaxy of semiconductor films requires a compatible single crystalline substrate and precisely controlled growth conditions, which limit the price competitiveness and versatility of the process. We demonstrate substrate-tolerant nano-heteroepitaxy (NHE) of high-quality formamidinium-lead-tri-iodide (FAPbI 3 ) perovskite films. The layered perovskite templates the solid-state phase conversion of FAPbI 3 from its hexagonal non-perovskite phase to the cubic perovskite polymorph, where the growth kinetics are controlled by a synergistic effect between strain and entropy. The slow heteroepitaxial crystal growth enlarged the perovskite crystals by 10-fold with a reduced defect density and strong preferred orientation. This NHE is readily applicable to various substrates used for devices. The proof-of-concept solar cell and light-emitting diode devices based on the NHE-FAPbI 3 showed efficiencies and stabilities superior to those of devices fabricated without NHE.

36 MATERIALS SCIENCE↗

Status of h-BN quasi-bulk crystals and high efficiency neutron detectors

III-nitrides have fomented a revolution in the lighting industry and are poised to make a huge impact in the field of power electronics. In the III-nitride family, the crystal growth and use of hexagonal BN (h-BN) as an ultrawide bandgap (UWBG) semiconductor are much less developed. Bulk crystals of h-BN produced by the high-temperature/high-pressure and the metal flux solution methods possess very high crystalline and optical qualities but are impractical to serve as substrates or for device implementation as their sizes are typically in millimeters. The development of crystal growth technologies for producing thick epitaxial films (or quasi-bulk or semi-bulk crystals) in large wafer sizes with high crystalline quality is a prerequisite for utilizing h-BN as an UWBG electronic material. Compared to traditional III-nitrides, BN has another unique application as solid-state neutron detectors, which however, also require the development of quasi-bulk crystals to provide high detection efficiencies because the theoretical efficiency (ηi) relates to the detector thickness (d) by ηi=1−e−dλ, where λ denotes the thermal neutron absorption length which is 47 μm (237 μm) for 10B-enriched (natural) h-BN. We provide an overview and recent progress toward the development of h-BN quasi-bulk crystals via hydride vapor phase epitaxy (HVPE) growth and the attainment of thermal neutron detectors based on 100 μm thick 10B-enriched h-BN with a record efficiency of 60%. The thermal neutron detection efficiency was shown to enhance at elevated temperatures. Benchmarking the crystalline and optical qualities of h-BN quasi-bulk crystals with the state-of-the-art mm-sized bulk crystal flakes and 0.5 μm thick epitaxial films identified that reducing the density of native defects such as vacancies remains the most critical task for h-BN quasi-bulk crystal growth by HVPE.

Physics↗

Flexible concentrator photovoltaics based on microscale silicon solar cells embedded in luminescent waveguides

Unconventional methods to exploit monocrystalline silicon and other established materials in photovoltaic (PV) systems can create new engineering opportunities, device capabilities and cost structures. Here we show a type of composite luminescent concentrator PV system that embeds large scale, interconnected arrays of microscale silicon solar cells in thin matrix layers doped with luminophores. Photons that strike cells directly generate power in the usual manner; those incident on the matrix launch wavelength-downconverted photons that reflect and waveguide into the sides and bottom surfaces of the cells to increase further their power output, by more than 300% in examples reported here. Unlike conventional luminescent photovoltaics, this unusual design can be implemented in ultrathin, mechanically bendable formats. Furthermore, detailed studies of design considerations and fabrication aspects for such devices, using both experimental and computational approaches, provide quantitative descriptions of the underlying materials science and optics.

14 SOLAR ENERGY↗