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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Solution-Processable Polymer Donor-Small Molecule Acceptor Bulk Heterojunction Organocatalysts for Enhancing CO 2 -to-CO Photoconversion

Metal-free organic semiconductors have emerged as a kind of promising star material in photocatalysis. However, their photocatalytic efficacy is impeded by the great recombination rate of the photogenerated charge carriers. Herein, we demonstrate the devising of solution-processable organic semiconductor bulk heterojunction (BHJ) systems with varying ratios by using BP3DT and PC 61 BM as the donor (D) and acceptor (A) candidates, respectively, for enhanced selective CO production from CO 2 photoreduction. The prepared BP3DT/PC 61 BM BHJs are solution-processed on both glass substrates (GS) and molecular sieves (MS) via a drop-casting technique to form an active thin film and porous photocatalysts to catalyze CO production. All BP3DT/PC 61 BM BHJs efficiently produce CO as the primary product in the existence of trace-level TEA/H 2 O (0.5 mL). Our results show that the photocatalytic efficiency depended on the D/A w% ratios and its nanoscale phase separation morphology within the BHJ, contributing to the promotion of exciton dissociation. Additionally, the BHJ undergoes an ostensible morphological transition from large-scale phase-separation to a fine mixed homogeneous nanoscale by varying the BP3DT/PC 61 BM blend ratio from 30/70 w% to 70/30 w%, which increases the interfacial area and shortens the distance of the exciton to the D/A surface, and promotes charge carrier separation, corroborated by photo-optical and photoelectrochemical experimental results. Accordingly, the resulting BP3DT/PC 61 BM BHJ@MS with a D/A ratio of 70/30 w% achieves a CO yield of 819 μmol·g cat -1 h -1 , surpassing those of pure PC 61 BM (126 μmol·g cat -1 h -1 ) and BP3DT (72 μmol·g cat -1 h -1 ) by 6.5- to 11.3-fold and also exceeding that of metal-free linear conjugated polymer-based organocatalysts reported to date. Specifically, this is the first work to develop an organic-semiconductor-based BHJ photocatalyst, which may offer a nascent way to design more efficient organocatalysts for CO 2 reduction.

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

Phase-Exchange-Driven Wake-Up and Fatigue in Ferroelectric Hafnium Zirconium Oxide Films

Ferroelectric hafnium zirconium oxide holds great promise for a broad spectrum of complementary metal–oxide–semiconductor (CMOS) compatible and scaled microelectronic applications, including memory, low-voltage transistors, and infrared sensors, among others. An outstanding challenge hindering the implementation of this material is polarization instability during field cycling. Herein, the nanoscale phenomena contributing to both polarization fatigue and wake-up are reported. Using synchrotron X-ray diffraction, the conversion of non-polar tetragonal and polar orthorhombic phases to a non-polar monoclinic phase while field cycling devices comprising noble metal contacts is observed. This phase exchange accompanies a diminishing ferroelectric remanent polarization and provides device-scale crystallographic evidence of phase exchange leading to ferroelectric fatigue in these structures. A reduction in the full width at half-maximum of the superimposed tetragonal (101) and orthorhombic (111) diffraction reflections is observed to accompany wake-up in structures comprising tantalum nitride and tungsten electrodes. Combined with polarization and relative permittivity measurements, the observed peak narrowing and a shift in position to lower angles is attributed, in part, to a phase exchange of the non-polar tetragonal to the polar orthorhombic phase during wake-up. These results provide insight into the role of electrodes in the performance of hafnium oxide-based ferroelectrics and mechanisms driving wake-up and fatigue, and demonstrate a non-destructive means to characterize the phase changes accompanying polarization instabilities.

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

Development of organic-inorganic hybrid selective layers via vapor phase infiltration to enhance the durability of perovskite solar cells

Despite the rapid increase in power conversion efficiency (PCE) of perovskite solar cells (PSCs) over the last decade, stability remains a major roadblock to commercialization. This work proposes the use of vapor phase infiltration (VPI) as a tool to create hybrid organic-inorganic layers that improve the stability of organic charge transport layers, such as hole-selective spiro-OMeTAD in these PSC and other organic electronic devices. Using X-ray photoelectron spectroscopy (XPS), ultraviolet photoelectron spectroscopy (UPS), and grazing incident wide-angle X-ray scattering (GIWAXS), we identify that infiltration of TiO X via VPI hinders the crystallization of the spiro-OMeTAD layer by likely preventing the π- π stacking of the molecules. Infiltrated PSCs retained around 80% of their original efficiency after an operando stability test of 60 h at 75 °C, double the efficiency retained by devices without infiltration. This work provides a blueprint for using VPI to stabilize organic charge transport layers via prevention of π- π stacking that leads to deleterious crystallization that shortens device lifetimes.

14 SOLAR ENERGY↗
DOE OSTI2024

Mathematical Modeling of Multi-Phenomena Anisotropic Systems: Ejection of Primary Aerosols during the Fast Pyrolysis of Biomass

This study introduces a novel particle model for biomass fast pyrolysis, incorporating an anisotropic cylindrical particle to address mass and energy transport coupled with aerosol ejection, which previous models have overlooked. The main contribution lies in developing a model that considers aerosol generation in anisotropic cylindrical particles for the first time, addressing bubbling dynamics and bursting within the liquid phase. The population balance equation describes bubble dynamics and aerosol formation, capturing phenomena like nucleation, growth, coalescence, and bursting. The model employs the method of moments with bubble volume as an internal variable, substantially reducing computational costs by eliminating dependence on this variable. Results highlight the significant impact of anisotropy and particle size on aerosol ejection: smaller, less elongated particles experience faster heating, quicker conversion, and the increased accumulation of the liquid intermediate phase. Specifically, 1 mm diameter particles yield higher concentrations of metaplast and bio-oil aerosols, exceeding 15%, compared to concentrations below 11% for 3 mm particles. This model provides insights into aerosol structure (volume, surface area), aiding in understanding aerosol reactivity at the reactor scale.

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

Mechanistic pathways and role of oxygen in oxidative coupling of methane derived from transient kinetic studies

Oxidative coupling of methane (OCM) is a promising industrial process to upgrade natural gas to high value chemicals. In this study, Temporal Analysis of Products (TAP) and steady-state experiments were conducted to distinguish how the composition of surface and gas phase oxygen influence mechanistic details of the selective conversion of CH 4 to C 2 H 4 over the Mn-Na 2 WO 4 /SiO 2 catalyst. The results from TAP studies indicate that methane activation on this catalyst proceeds predominantly via a short-lived, transient surface oxygen species and there is a competition for this species to form either CO or methyl radicals on the surface. This active species has a total lifetime of 3 s and is identified to have a dioxygen (e.g. O 2 2- or O 2 -) form. We show that the concentration of the transient surface oxygen species significantly impacts the OCM performance. Oxygen attributed to the catalyst lattice (in a singular form e.g., O - ), is found to activate methane to a lesser degree, but exclusively forms CO 2 . Evidence for these surface pathways for methyl radical, CO and CO 2 formation identified by TAP are also validated through steady-state experiments. Finally, by distinguishing different catalyst oxygen species and their role in selective/nonselective pathways, important screening criteria have been identified for the advancement of superior catalyst formulations.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Effects of co-adsorbed water on different bond cleavages involved in acetic acid decomposition on Pt (111)

Acetic acid decomposition on Pt (111) in the presence of co-adsorbed water is a good model system for oxygenate decomposition on Pt (111) in aqueous phase, with application in hydrogen production and biomass conversion. Here, in this study, we present a density functional theory (DFT) theory calculation of how co-adsorbed water affects different bond cleavages of acetic acid decomposition on Pt (111). The presence of co-adsorbed water generally enhances O$-$H bond cleavage while inhibiting OC$-$O and OC$-$OH bond cleavage. The influence of co-adsorbed water on C$-$H bond cleavage varies the most and depends on the nature of the transition state and how co-adsorbed water stabilizes the initial and final state. Although these trends are useful as general guidance, they are not sufficient to predict the effect on a complex reaction network such as acetic acid decomposition on Pt (111) which has several parallel reaction paths with similar energies. In the absence of co-adsorbed water, the two lowest energy pathways are decarboxylation (DCX) and decarbonylation (DCN) pathways through a common CH 2 COO intermediate, in which the DCX pathway (C$-$H bond cleavage of CH 2 COO) is more favorable than DCN pathway (OC$-$O bond cleavage of CH 2 COO). In the presence of co-adsorbed water, the energy difference between Csingle bondH bond cleavage and OC$-$O bond cleavage of CH 2 COO increases, suggesting an increase in the favorability of acetic acid decarboxylation (formation of carbon dioxide) over acetic acid decarbonylation (formation of carbon monoxide) on Pt (111).

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

Revealing Mesoscale Ionomer Membrane Structure by Tender Resonant X-ray Scattering

Nafion, a perfluorosulfonic acid ionomer, has been well-studied for decades due to its key role as an ion-conductive membrane in electrochemical energy conversion and storage applications. When hydrated, this membrane phase separates into a complex hierarchical nanostructure with hydrophilic domains that facilitate ion transport. Hard X-ray scattering has been a powerful technique in understanding Nafion due to its capabilities in capturing the ionomer’s nanophase separated structure, which gives rise to contrast between polymer and water domains. More recently, resonant X-ray scattering, which tunes to elemental absorption edges to provide specificity on constituent elements, has been explored to highlight key interactions related to the sulfonic acid groups within its structure. Here, in this work, we study the Nafion nanostructure by combining hard X-ray scattering and tender resonant X-ray scattering (TReXS) at the sulfur K-edge to reveal a mesoscopic feature corresponding to a correlation length of approximately 40 nm that has been challenging to resolve with hard X-ray studies. Additionally, we study the effect of the dispersion solvent composition that plays a key role in the formation of this mesoscale feature. Notably, TReXS can attain high contrast to decipher this mesoscale morphology even for dry polymer membranes under a vacuum, which typically have reduced contrast for hard X-rays. We find that the correlation length of this mesoscale feature decreases with increasing water fraction in the dispersion, which is the opposite trend exhibited by the smaller intercrystalline feature in the same membranes. This study showcases the utility of TReXS to uncover multiscale morphological details in functional polymers that are not always revealed by other methods like hard X-ray scattering. We illustrate this with Nafion, which is a relevant ion-conducting polymer for electrochemical technologies.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Atomic Structural Origin of the High Methanol Selectivity over In 2 O 3 –Metal Interfaces: Metal–Support Interactions and the Formation of a InO x Overlayer in Ru/In 2 O 3 Catalysts during CO 2 Hydrogenation

CO 2 hydrogenation to methanol is of great environmental and economic interest due to its potential to reduce carbon emissions and produce valuable chemicals in one single reaction. Compared with the unmodified traditional Cu/ZnO/Al 2 O 3 catalyst, an indium oxide (In 2 O 3 )-based catalyst can double the methanol selectivity from 30–50 to 60–100%. It is worth noting that over catalysts involving various active metals dispersed on indium oxide (M/In 2 O 3 , M = Pd, Ni, Au, etc.), although the methanol yield is boosted, the selectivity remains similar to that of plain In 2 O 3 despite the distinct chemical properties of the added metals. Here, to investigate the phenomena behind this behavior, we used RuO 2 /In 2 O 3 as a test catalyst. The results of ambient pressure photoelectron spectroscopy, in situ X-ray absorption fine structure, and time-resolved X-ray diffraction indicate that the structure of the RuO 2 /In 2 O 3 catalyst is highly dynamic in the presence of a reactive environment. Specifically, under CO 2 hydrogenation conditions, Ru clusters facilitate the reduction of In 2 O 3 to generate In 2 O 3–x aggregates, which encapsulate the Ru systems in a migration driven by thermodynamics. In this way, the Ru O sites for CH 4 production are blocked while creating RuO x –In 2 O 3–x interfacial sites with tunable metal–oxide interactions for selective methanol production. In an inverse oxide/metal configuration, indium oxide has properties not seen in its bulk phase that are useful for the binding and conversion of CO 2 . This work reveals the dynamic nature of In 2 O 3 -based catalysts, providing insights for a rational design of materials for the selective synthesis of methanol.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Designing high-power, octave spanning entangled photon sources for quantum spectroscopy

Entangled photon spectroscopy is a nascent field that has important implications for measurement and imaging across chemical, biology, and materials fields. Entangled photon spectroscopy potentially offers improved spatial and temporal-frequency resolutions, increased cross sections for multiphoton and nonlinear measurements, and new abilities in inducing or measuring quantum correlations. A critical step in enabling entangled photon spectroscopies is the creation of high-flux entangled sources that can use conventional detectors as well as provide redundancy for the losses in realistic samples. Here, we report a periodically poled, chirped, lithium tantalate platform that generates entangled photon pairs with ~10 -7 efficiency. For a near watt level diode laser, this results in a near μW-level flux. The single photon per mode limit that is necessary to maintain non-classical photon behavior is still satisfied by distributing this power over up to an octave-spanning bandwidth. The spectral–temporal photon correlations are observed via a Michelson-type interferometer that measures the broadband Hong–Ou–Mandel two-photon interference. A coherence time of 245 fs for a 10 nm bandwidth in the collinear case and a coherence time of 62 fs for a 125 nm bandwidth in the non-collinear case are measured using a CW pump laser and, essentially, collecting the full photon cone. We outline in detail the numerical methods used for designing and tailoring the entangled photons source, such as changing center wavelength or bandwidth, with the ultimate aim of increasing the availability of high-flux UV–Vis entangled photon sources in the optical spectroscopy community.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Experimental and computational studies on high-entropy carbide MoNbTaVWC 5 under high pressures

High-entropy carbide, MoNbTaVWC 5 , was synthesized from oxide precursors of the constituent metals, mixed with graphite powder in a microwave-generated hydrogen plasma at 26.66 kPa and 2100 °C. Ambient x-ray diffraction analysis confirms the full conversion of oxide precursors into a single-phase, face-centered cubic structure with a lattice parameter a = 4.3309 Å. Nanoindentation measured a hardness of 24.5 ± 1.3 GPa and an elastic modulus of 386 ± 22 GPa. The synthesized sample, mixed with a copper pressure marker, was studied by the radial x-ray diffraction technique with beryllium gasketing in a diamond anvil cell up to 70 GPa. The experimentally measured pressure–volume curve and shear strength were compared with theoretical predictions using the special quasi-random structure technique and density functional theory. MoNbTaVWC 5 achieved a 12% volume compression at 70 GPa and exhibited a high shear strength of 6.6 GPa. The present study demonstrates that the high-entropy carbide MoNbTaVWC 5 exhibits exceptional incompressibility and high strength under extreme conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Enabling Ultra-Compact, Lightweight, Efficient, and Reliable 6.6 kW On-Board Bi-Directional Electric Vehicle Charger with Advanced Topology and Control

The research explored new topologies, control methods, mechanical integration, and thermal management methods for electric vehicle (EV) on-board chargers. The team investigated capacitor-based power conversion, leveraging the high energy densities inherent to capacitive energy storage compared to inductive methods. The proposed topologies simultaneously enabled high power density and high efficiency of the design. The proposed architecture was demonstrated in a 6.6 kW bi-directional charger prototype. The research pursued several directions to improve system performance. Innovative topologies were studied for both the main power conversion stage as well as the single-phase twice-line-frequency energy buffer. To ensure robust and efficient operation, new control methods were developed to integrate these two subsystems. To achieve high power density in the full system solution, the mechanical structure of the charger is highly optimized to maximally fill the converter box volume. In parallel with the mechanical design effort, the converter was packaged with high-performance cooling methods which removed heat from key areas of power dissipation in the converter. The thermal management system was optimized to minimize its weight and volume, ultimately motivating the design of a custom additively manufactured cold-plate. The full system achieves a peak power of 7 kW with less than 0.3% total harmonic distortion (THD) and greater than 0.994 power factor in power factor correction (PFC) operation, corresponding to a total box-volume power density of 47.9 kW/L and gravimetric power density of 24.6 W/g. The system achieves a peak efficiency of 98.9%, with 97.9% efficiency at maximum power.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2023

CO Oxidation Catalyzed by Au Dispersed on SBA-15 Modified with TiO2 Films Grown via Atomic Layer Deposition (ALD)

It has been established that gold, when in nanoparticle (NP) form and in contact with reducible oxides, can promote oxidation reactions under mild conditions. Here, we report results from our exploration of the catalytic oxidation of carbon monoxide using catalysts where Au NPs were combined with thin titanium oxide films deposited on SBA-15 using atomic layer deposition (ALD). Both orders of deposition, with TiO2 added either before or after Au dispersion, were tested for two titania film thicknesses amounting to about half and full TiO2 monolayers. The resulting catalysts were characterized using various techniques, mainly electron microscopy and N2 adsorption–desorption isotherms, and the kinetics of the oxidation of CO with O2 were followed using infrared absorption spectroscopy. A synergy between the Au and TiO2 phases as it relates to the bonding and conversion of CO was identified, the tuning of which could be controlled by varying the synthetic parameters. The ALD of TiO2 films proved to be an effective way to maximize the Au-TiO2 interface sites, and with that help with the activation of molecular oxygen.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1973

NASA presentation

The development of a wind energy system is outlined that supplies reliable energy at a cost competitive with other energy systems. A government directed industry program with strong university support is recommended that includes meteorological studies to estimate wind energy potentials and determines favorable regions and sites for wind power installations. Key phases of the overall program are wind energy conversion systems, meteorological wind studies, energy storage systems, and environmental impact studies. Performance testing with a prototype wind energy conversion and storage system is projected for Fiscal 1977.

Thomas, R. L.↗
NASA NTRS1977

Third-order nonlinearities in molecular hydrogen - Two-photon resonance enhanced third-harmonic generation and Raman scattering

Effects of quantum mechanical interferences on third-order susceptibilities in molecules are studied. First principle calculations for molecular hydrogen are presented and shown to agree with results derived from experimental stimulated Raman gain and spontaneous Raman cross-section data. 10 percent third-harmonic conversion efficiency in H2 at 1 atm without phase matching should require a 150 MW per sq cm at 4.81 microns. As little as 5.9-MW power is sufficient when the beam is properly focused. Resonance Raman scattering (RRS) is proposed for experimentally investigating the interference effects, which tend to reduce the strength of third-order nonlinear susceptibilities.

Pan, C.-L.↗
NASA NTRS1980

Critical currents in A-15 structure Nb3Al converted from cold-worked bcc structure

The paper considers critical currents in A-15 structure Nb3Al converted from a cold-worked bcc structure. Nb3Al prepared in the ductile phase by quenching and mechanical working followed by conversion to the A-15 structure could carry currents above 10 to the 9th power A/sq m in fields near 20 T. These critical currents are comparable to those of Nb3Ge and V3Ga which are closest competing materials for use in high fields; further enhancement of the critical current is possible if thermal treatments are optimized.

Woollam, J. A.↗
NASA NTRS1986

Resonant AC power system proof-of-concept test program

Proof-of-concept testing was performed on a 20-kHz, resonant power system breadboard from 1981 through 1985. The testing began with the evaluation of a single, 1.0-kW resonant inverter and progressed to the testing of breadboard systems with higher power levels and more capability. The final breadboard configuration tested was a 25.0-kW breadboard with six inverters providing power to three user-interface modules over a 50-meter, 20-kHz bus. The breadboard demonstrated the ability to synchronize multiple resonant inverters to power a common bus. Single-phase and three-phase 20-kHz power distribution was demonstrated. Simple conversion of 20-kHz to dc and variable-frequency ac was demonstrated as was bidirectional power flow between 20-kHz and dc. Steady state measurements of efficiency, power-factor tolerance, and conducted emissions and conducted susceptibility were made. In addition, transient responses were recorded for such conditions as start up, shut down, load changes. The results showed the 20-kHz resonant system to be a desirable technology for a spacecraft power management and distribution system with multiple users and a utility-type bus.

Wappes, Loran J.↗
NASA NTRS1991

System and component design and test of a 10 hp, 18,000 rpm AC dynamometer utilizing a high frequency AC voltage link, part 1

Hard and soft switching test results conducted with one of the samples of first generation MOS-controlled thyristor (MCTs) and similar test results with several different samples of second generation MCT's are reported. A simple chopper circuit is used to investigate the basic switching characteristics of MCT under hard switching and various types of resonant circuits are used to determine soft switching characteristics of MCT under both zero voltage and zero current switching. Next, operation principles of a pulse density modulated converter (PDMC) for three phase (3F) to 3F two-step power conversion via parallel resonant high frequency (HF) AC link are reviewed. The details for the selection of power switches and other power components required for the construction of the power circuit for the second generation 3F to 3F converter system are discussed. The problems encountered in the first generation system are considered. Design and performance of the first generation 3F to 3F power converter system and field oriented induction moter drive based upon a 3 kVA, 20 kHz parallel resonant HF AC link are described. Low harmonic current at the input and output, unity power factor operation of input, and bidirectional flow capability of the system are shown via both computer and experimental results. The work completed on the construction and testing of the second generation converter and field oriented induction motor drive based upon specifications for a 10 hp squirrel cage dynamometer and a 20 kHz parallel resonant HF AC link is discussed. The induction machine is designed to deliver 10 hp or 7.46 kW when operated as an AC-dynamo with power fed back to the source through the converter. Results presented reveal that the proposed power level requires additional energy storage elements to overcome difficulties with a peak link voltage variation problem that limits reaching to the desired power level. The power level test of the second generation converter after the addition of extra energy storage elements to the HF link are described. The importance of the source voltage level to achieve a better current regulation for the source side PDMC is also briefly discussed. The power levels achieved in the motoring mode of operation show that the proposed power levels achieved in the generating mode of operation can also be easily achieved provided that no mechanical speed limitation were present to drive the induction machine at the proposed power level.

Lipo, Thomas A.↗
NASA NTRS1992

Integrated solar power satellites: An approach to low-mass space power

Previous concepts for solar power satellites have used conventional-technology photovoltaic arrays, feeding a power collection and transmission system connected to microwave tubes for direct current to radio frequency DC to RF conversion, which in turn are coupled to a phased array antenna. This paper proposes using thin-film photovoltaics with an integrated solid-state phased-array to design an ultra-lightweight solar power satellite. The status of the enabling technologies, conceptual designs, possible applications, and development steps are discussed. It is found that as these technologies evolve, their use in this design results in a potential reduction in weight by a factor of ten to a hundred over conventional concepts for solar power satellites, and increases the utility by allowing service to smaller receivers at multiple receiving sites.

Landis, Geoffrey A.↗