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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 937 records · Page 52
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

A Chlorinated Donor Polymer Achieving High‐Performance Organic Solar Cells with a Wide Range of Polymer Molecular Weight

Abstract In the field of non‐fullerene organic solar cells (OSCs), compared to the rapid development of non‐fullerene acceptors, the progress of high‐performance donor polymers is relatively slow. The property and performance of donor polymers in OSCs are often sensitive to the molecular weight of the polymers. In this study, a chlorinated donor polymer named D18‐Cl is reported, which can achieve high performance with a wide range of polymer molecular weight. The devices based on D18‐Cl show a higher open‐circuit voltage ( V OC ) due to the slightly deeper energy levels and an outstanding short‐circuit current density ( J SC ) owing to the appropriate long periods of blend films and less ([6,6]‐phenyl‐C71‐butyric acid methyl ester) (PC 71 BM) in mixed domains, leading to the higher efficiency of 17.97% than those of the D18‐based devices (17.21%). Meanwhile, D18‐Cl can achieve high efficiencies (17.30–17.97%) when its number‐averaged molecular weight ( M n ) is ranged from 45 to 72 kDa. In contrast, the D18‐based devices only exhibit relatively high efficiencies in a narrow M n range of ≈70 kDa. Such property and performance make D18‐Cl a promising donor polymer for scale‐up and low‐cost production.

Zeng, Anping↗
DOE OSTI2023

Trapped flux in pure and Mn-substituted CaKFe 4 As 4 and MgB 2 superconducting single crystals

Abstract Measurements of temperature dependent magnetization associated with trapped magnetic flux in single crystals of CaKFe 4 As 4 , CaK(Fe 0.983 Mn 0.017 ) 4 As 4 and MgB 2 using zero-field-cooled and field-cooled protocols are presented. The results allow for the determination of the values of superconducting transition temperature, lower critical field and self-field critical current density. These are compared with the literature data. Possible experimental concerns are briefly outlined. Our results, on these known superconductors at ambient pressure, are qualitatively similar to those recently measured on superhydrides at megabar pressures (Minkov et al 2023 Nat. Phys. https://doi.org/10.1038/s41567-023-02089-1 ) and, as such, hopefully serve as a baseline for the interpretation of high pressure, trapped flux measurements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

High-Throughput In-Line Deposition of Silicon Oxide for Polycrystalline Silicon Passivating Contacts

Polycrystalline silicon passivating contacts rely on an ultrathin (1–2 nm) silicon oxide layer to minimize recombination at the wafer/oxide interface and regulate dopant diffusion. Traditionally formed by thermal or chemical oxidation, this oxide is herein replaced by silicon oxide deposited via aerosol impact-driven assembly (AIDA), enabling high wafer-per-hour throughput and precise thickness control. In this study, we show that AIDA coatings conformally cover planar or textured substrates and achieve a SiO x /poly-Si(n) structure with an implied open-circuit voltage (iV oc = 726 mV) and contact saturation current density (J 0 = 8.8 fA/cm 2 ). Furthermore, annealing AIDA SiO x films at elevated temperatures desorbs hydroxyl groups while the stoichiometry transitions toward SiO 2 , improving passivation quality. Together, these results highlight AIDA’s potential for scalable, high-throughput manufacturing of advanced passivating contacts, offering a cost-effective alternative to conventional low-pressure chemical vapor deposition and plasma-enhanced chemical vapor deposition-based silicon and oxide processes.

TOPcon↗
DOE OSTI2024

RESOLVING THE ELECTROCHEMICAL EQUATIONS OF A SOLID OXIDE FUEL CELL FOR USE IN TRANSIENT SIMULATION AND INTEGRATION INTO CYBER-PHYSICAL SYSTEMS

A major challenge with complex cyber-physical systems stems from long model computational time that creates a mismatch between the model system and the physical system. The numerical modeling of solid oxide fuel cells (SOFCs) presents particular challenges due to the highly coupled nature of the underlying equations and the multiphysics needed to fully resolve their behavior during a transient event. To this end current approaches revolve around splitting the computational efforts into resolving temperature effects and resolving electrochemical effects. Current methods employed for the transient simulation of an SOFC for implementation in the Hybrid Performance (HyPer) facility cyberphysical plant at the National Energy Technology Laboratory reveal a distinct need for accelerated results with a high degree of stability. To this aim, an investigation into the computational time for the code reveals that the underlying electrochemical algorithm takes an order of magnitude more time than its thermal counterpart and has a tendency to vary in terms of iteration time and as such a rework of the underlying system is proposed. The primary method for accelerated electrochemical algorithm solutions is to employ higher order root finding recipes for the resolution of the highly coupled electrochemical equations. This is done with the intention to reduce the overall number of subiterations necessary for resolving voltage, current density, and species concentration, properties of the fuel cell that are all directly coupled and require nested iterative approaches. The overall objective of this approach is an order of magnitude reduction in calculation time without sacrificing stability and increasing accuracy. Specific approaches involve using both bounded and unbounded techniques, such as the False Position method and the Secant method (or if applicable Newton-Raphson) respectively, the drawbacks being slower convergence for False Position and instability for the Secant or Newton-Raphson methods. Current preliminary results on simplified versions of the parent functions involved for electrochemical calculations indicate a reduction in computational steps by a factor of two for the secant method and a factor of three for Newton-Raphson. When implemented into new modified electrochemical algorithms, the results indicate a possible order of magnitude reduction in calculation time.

Arias, Jesus↗
DOE OSTI2025

Imaging Power Losses in CdSeTe Solar Cells

Much of the research on CdSeTe photovoltaics is focused on improving the open-circuit voltage (V oc ) of the solar cell. But solar cells operate at the maximum power point (MPP) rather than at V oc . The recombination processes at MPP may be different than those at V oc , and increasing the power output at MPP is the key to advancing efficiency. Here, we introduce a camera-based PL imaging system that enables power loss analysis under operating conditions and across cm-sized areas covering multiple cells. The instrument is demonstrated with CdSeTe devices having efficiencies greater than 19%. An implied current density versus implied voltage (iJV) curve can be produced at each pixel with <20 µm resolution. We find that regions with high implied open circuit voltage are often those with low implied fill factor, showing that voltage loss analysis at open circuit is not sufficient to understand power losses under operating conditions. Measurement of JV curves as a function of irradiance can also be performed in the system, which allows series resistance-free pseudo JV (pJV) curves to be produced. Comparison of pJV to measured JV and iJV curves allows further analysis of the operational losses, pointing the way to higher efficiency.

14 SOLAR ENERGY↗
DOE OSTI2023

Superior Capacitive Energy-Storage Performance in Pb-Free Relaxors with a Simple Chemical Composition

Chemical design of lead-free relaxors with simultaneously high energy density (W rec ) and high efficiency (η) for capacitive energy-storage has been a big challenge for advanced electronic systems. The current situation indicates that realizing such superior energy-storage properties requires highly complex chemical components. Herein, we demonstrate that, via local structure design, an ultrahigh W rec of 10.1 J/cm 3 , concurrent with a high η of 90%, as well as excellent thermal and frequency stabilities can be achieved in a relaxor with a very simple chemical composition. By introducing 6s 2 lone pair stereochemical active Bi into the classical BaTiO 3 ferroelectric to generate a mismatch between A- and B-site polar displacements, a relaxor state with strong local polar fluctuations can be formed. Through advanced atomic-resolution displacement mapping and 3D reconstructing the nanoscale structure from neutron/X-ray total scattering, it is revealed that the localized Bi enhances the polar length largely at several perovskite unit cells and disrupts the long-range coherent Ti polar displacements, resulting in a slush-like structure with extremely small size polar clusters and strong local polar fluctuations. This favorable relaxor state exhibits substantially enhanced polarization, and minimized hysteresis at a high breakdown strength. This work offers a feasible avenue to chemically design new relaxors with a simple composition for high-performance capacitive energy-storage.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Combinatorial deposition of Au–Bi alloys via high-rate magnetron sputtering

Gold–bismuth (Au–Bi) alloy films are promising candidate materials for inertial confinement fusion (ICF) hohlraums due to their high laser-to-x-ray conversion efficiency, particularly compared with Au, Ta–Au, and Bi hohlraums. However, the fabrication of uniform and dense Au–Bi alloy films remains a challenge. Here, we use a combination of Monte-Carlo modeling and experiments to demonstrate that the microstructure and properties of Au–Bi alloy films can be greatly improved when direct-current magnetron sputtering with high deposition rates of ⩾5 μm h -1 is used. Resultant films are ~90% of their maximum theoretical densities and have low O content of <1 at.%. Films with Bi content above 40 at. % exhibit high electrical resistivity >100μΩ cm, making them suitable for both magnetized and non-magnetized ICF schemes.

Materials science↗
DOE OSTI2019

High Conductivity and Flexible Hybrid Solid State Electrolyte (Final Report: DOE-EE0007807)

The project objective is to develop flexible hybrid electrolyte with garnet nanofibers to achieve the following: (1) flexible, with greater mechanical strength (~ 10 MPa) and thermal stability than polymer electrolytes; (2) high room-temperature ionic conductivity, ~ 0.5 mS/cm; (3) stable interface with lithium metal and effective blocking of lithium dendrites at current densities up to 3 mA/cm 2 ; and (4) battery performance with Li S chemistry with an energy density of ≥ 450 Wh/kg (and ≥ 1000 Wh/L) and maintaining ≥ 80% of capacity up to 500 cycles. We synthesized garnet nanofibers, filled the porous region with polymer electrolyte, and characterized and tuned the flexible hybrid membrane properties. The flexible hybrid SSE microstructure was analyzed by leveraging the UMD AIMLab Focused Ion Beam Scanning Electron Microscopy (FIB-SEM) tools and integrated with electrochemical methods at the UMERC Battery Fabrication Lab to investigate the properties and stability with Li metal anode. We developed a fundamental understanding of the mechanism of Li ionic diffusion in garnet nanofibers and their mechanical properties, as well as these properties for hybrid garnet-fiber/polymer hybrids. Work progressed toward the study of the electrode assembly during electrochemical cycling of the anode.

36 MATERIALS SCIENCE↗
DOE OSTI2024

2D Amorphous Carbon Dielectric Prepared from Solution Precursor for Nanoelectronics

The preparation of amorphous 2D nanodielectrics represents a major challenge due to the metastable nature of amorphous phases. We describe a scalable and solution-based strategy to prepare wafer-scale 2D amorphous carbon with thickness down to 1–2 atomic layers from coal-derived carbon quantum dots as precursors. The prepared atomically thin 2D amorphous carbon can be suspended over cavities as freestanding membranes with high modulus of 400±100 GPa and demonstrate robust dielectric properties with dielectric strength above 20 MV·cm-1 and leakage current density below 10-4 A·cm-2 through a scaled thickness of three-atomic layers. When implemented as ultrathin gate dielectrics in 2D transistors or ion-transport media in memristors, they enable exceptional device performance and spatiotemporal uniformity, resulting from their amorphous form, intrinsic ultrathinness, and 2D atomic structures.

Pham, Viet Hung↗
DOE OSTI2024

Solution-Based Synthesis of Ultrathin Quasi-2D Amorphous Carbon for Nanoelectronics

The synthesis of ultrathin 2D amorphous dielectric film represents a major challenge due to the metastable nature of amorphous phases. We describe a scalable and solution-based strategy to prepare wafer-scale 2D amorphous carbon with thickness down to 1–2 atomic layers from coal-derived carbon quantum dots as precursors. The prepared atomically thin 2D amorphous carbon can be suspended over cavities as freestanding membranes with high modulus of 400±100 GPa and demonstrate robust dielectric properties with dielectric strength above 20 MV·cm-1 and leakage current density below 10-4 A·cm-2 through a scaled thickness of three-atomic layers. When implemented as ultrathin gate dielectrics in 2D transistors or ion-transport media in memristors, they enable exceptional device performance and spatiotemporal uniformity, resulting from their amorphous form, intrinsic ultrathinness, and 2D atomic structures.

Pham, Viet Hung [NETL Site Support Contractor, Nat↗
DOE OSTI2024

Phase segregation of a composite air electrode unlocks the high performance of reversible protonic ceramic electrochemical cells

One breakthrough in developing highly efficient air electrodes for reversible protonic ceramic electrochemical cells (R-PCECs) is optimizing the sluggish oxygen reduction and water oxidation reactions. Here, we present a novel composite material with a nominal formula of high-entropy Ce 0.2 Ba 0.2 Sr 0.2 La 0.2 Ca 0.2 CoO 3–δ (CBSLCC) that spontaneously self-assembles to three-phase electrocatalysts composed of deficient Ce 0.2–y Ba 0.2 Sr 0.2–x La 0.2–x Ca 0.2 CoO 3–δ (CD-CBSLCC), CeO 2 , and La 0.5 Sr 0.5 CoO 3–δ (LSC). Mechanistic studies corroborate that oxygen reduction may occur on entire air electrode surfaces, followed by water formation preferentially at or near CD-CBSLCC. The CeO 2 phase could provide or consume protons to facilitate the oxygen evolution/reduction kinetics in R-PCECs. The developed electrodes demonstrate a record-high electrochemical performance in dual modes of fuel cells and electrolysis cells, delivering a peak power density of 1.66 W cm –2 at 600 °C and a current density of –1.76 A cm –2 at 1.3 V and 600 °C. Finally, excellent operational stabilities of the fuel cell (200 h at 600 °C), electrolysis cell (200 h at 600 °C), and reversible cycling (548 h at 550 °C) provide a promising and reliable step towards realizing the commercialization of R-PCECs.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2022

Measuring the Density Fields around Bright Quasars at z ~ 6 with XQR-30 Spectra

Measuring the density of the intergalactic medium using quasar sight lines in the epoch of reionization is challenging due to the saturation of Ly α absorption. Near a luminous quasar, however, the enhanced radiation creates a proximity zone observable in the quasar spectra where the Ly α absorption is not saturated. In this study, we use 10 high-resolution ( R ≳ 10,000) z ~ 6 quasar spectra from the extended XQR-30 sample to measure the density field in the quasar proximity zones. We find a variety of environments within 3 pMpc distance from the quasars. We compare the observed density cumulative distribution function (CDF) with models from the Cosmic Reionization on Computers simulation and find a good agreement between 1.5 and 3 pMpc from the quasar. This region is far away from the quasar hosts and hence approaching the mean density of the universe, which allows us to use the CDF to set constraints on the cosmological parameter σ 8 = 0.6 ± 0.3. The uncertainty is mainly due to the limited number of high-quality quasar sight lines currently available. Utilizing the more than 200 known quasars at z ≳ 6, this method will allow us to tighten the constraint on σ 8 to the percent level in the future. In the region closer to the quasar within 1.5 pMpc, we find that the density is higher than predicted in the simulation by 1.23 ± 0.17, suggesting that the typical host dark matter halo mass of a bright quasar ( M 1450 < -26.5) at z ~ 6 is .

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Self-consistent investigation of density fueling needs on ITER and CFETR utilizing the new Pellet Ablation Module

Abstract Self-consistent modeling using the stability, transport, equilibrium, and pedestal (STEP) workflow in the OMFIT integrated modeling framework (predicting pedestal with EPED, core profiles with TGYRO, current profile with ONETWO, and EFIT for equilibrium) suggests ITER and future devices such as China Fusion Engineering Test Reactor (CFETR) Zhuang et al (2019 Nucl. Fusion 59 112010) will benefit from high-density operation (Greenwald limit fraction f g w ≈ 0.7−1.3). Regimes with an operational density near the Greenwald limit will likely need peaked density profiles so that the pedestal density remains below the Greenwald limit. Peaked density profiles can be achieved with the help of pellet injection. A flexible Pellet Ablation Module (PAM), which predicts the density source based on a comprehensive analytical pellet ablation model, has been developed for predicting pellet fueling for transport studies, and has been incorporated into the STEP workflow for predictive modeling. This workflow is applied to DIII-D and finds good agreement with experiments. On ITER the effect of pellet fueling is examined in an advanced inductive scenario, where a fusion gain of up to Q = 9 is predicted with strong central pellet fueling. On CFETR, with a mid-radius density source, an average of 1.5 × 10 22 electrons s −1 are required to achieve the density and temperature profiles necessary for the 1000 MW advanced scenario with a tritium burn-up fraction of ∼ 3 % .

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Dense hydrogen layers for high performance MagLIF

We report that Magnetized Liner Inertial Fusion (MagLIF) experiments driven by the Z machine produce >10 13 deuterium-deuterium fusion reactions. Simulations indicate high yields and gains (1000) with increased current and deuterium-tritium layers for burn propagation. Such a coating also isolates the metal liner from the gaseous fuel, which should reduce mixing of liner material into the fuel. However, the vapor density at the triple point is only 0.3 kg/m3, which is not high enough for MagLIF operation. We present two solutions to this problem. First, a fuel wetted low-density plastic foam can be used to form a layer on the inside of the liner. The desired vapor density can be obtained by controlling the temperature. This does however introduce carbon into the layer which will enhance radiation losses. Simulations indicate that this wetted foam layer can significantly contribute to the fusion yield when the foam density is less than 35 kg/m 3 . Second, we show that a pure frozen fuel layer can first be formed on the inside of the liner and then low temperature gaseous fuel can be introduced just before the implosion without melting a significant amount of the ice layer. This approach is the most promising for MagLIF to produce high yield and gain.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Stable Cycling with Intimate Contacts Enabled by Crystallinity–Controlled PTFE–Based Solvent–Free Cathodes in All–Solid–State Batteries

All-solid-state batteries (ASSBs) employing Li-metal anodes and inorganic solid electrolytes are attracting great attention due to high safety and energy density for next-generation energy storage devices. However, the volume change of cathode active materials can cause contact loss, resulting in charge carrier isolation, heterogeneous current distribution, and poor electrochemical properties in ASSBs. Here, a simple, yet effective, solvent-free electrode engineering approach with polytetrafluoroethylene (PTFE) as a binder for ASSBs is reported, enabling intimate contact and stable interfaces with the cathode. It is substantiated that the crystallinity of PTFE can be controlled depending on the heat history, and highly crystalline PTFE displays robust mechanical properties. High-nickel LiNi 0.8 Mn 0.1 Co 0.1 O 2 cathode prepared with crystalline PTFE show improved cycle and rate performances in ASSBs. In addition, it is revealed that the intimate contact between cathode particles with a stable cathode electrolyte layer is maintained during cycling by postmortem studies. Furthermore, this simple engineering method can be applied to prepare cathodes with a variety of active materials and solid electrolytes in ASSBs.

25 ENERGY STORAGE↗
DOE OSTI2020

Directly Linking Low-Angle Grain Boundary Misorientation to Device Functionality for GaAs Grown on Flexible Metal Substrates

A new growth method to make highly oriented GaAs thin films on flexible metal substrates has been developed, enabling roll-to-roll manufacturing of flexible semiconductor devices. The grains are oriented in the <001> direction with <1 degree misorientations between them, and they have a comparable mobility to single-crystalline GaAs at high doping concentrations. At the moment, the role of low-angle grain boundaries (LAGBs) on device performance is unknown. A series of electron backscatter diffraction (EBSD) and cathodoluminesence (CL) studies reveal that increased doping concentrations decrease the grain size and increase the LAGB misorientation. Cross-sectional scanning transmission electron microscopy (STEM) reveals the complex dislocation structures within LAGBs. Most importantly, a correlative EBSD/electron beam-induced current (EBIC) experiment reveals that LAGBs are carrier recombination centers and that the magnitude of recombination is dependent on the degree of misorientation. The presented results directly link increased LAGB misorientation to degraded device performance, and therefore, strategies to reduce LAGB misorientations and densities would improve highly oriented semiconductor devices.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Covalent adaptable networks for electrolyte–binder integration in recyclable lithium metal batteries

Lithium-metal batteries (LMBs) are considered a promising next-generation energy storage technology due to their exceptionally high energy density. However, the development of solid polymer electrolytes and cathode binders for LMBs faces critical challenges, including interfacial instability, poor recyclability, and growing environmental concerns. In particular, current systems often rely on non-recyclable components featuring permanently crosslinked networks and polyfluoroalkyl substances (PFAS), such as poly(vinylidene fluoride) (PVDF), which cause battery waste and environmental harm. Herein, we introduce a multifunctional covalent adaptable network (CAN) platform based on thermally reversible Diels–Alder (DA) chemistry, designed for dual functionality as a CAN-based electrolyte (CAE) and a CAN-based cathode binder. The CAE achieves high ionic conductivity and strong storage modulus (1.4 mS cm −1 and ∼ 10 5 Pa at room temperature, respectively) and enables stable long-term cycling in symmetric Li||Li cells for over 2000 h with low overpotential. When it is applied as a cathode binder in LiFePO 4 (LFP) composite electrodes (C-LFP), the CAN matrix significantly reduces interfacial resistance and enhances discharge capacity compared to conventional PVDF-based systems. Thermal treatment induces self-healing at the cathode–electrolyte interface, further improving contact and yielding a discharge capacity of 150 mAh g −1 at 0.5 C. Moreover, the dynamic CAN architecture allows efficient recovery and reuse of lithium salts from spent electrolytes through retro-DA reactions under mild conditions (∼80 °C), establishing a low-energy, cost-effective recycling pathway. In conclusion, this work presents a scalable and sustainable strategy for high-performance LMBs by integrating recyclability, interfacial healing, and PFAS-free design, offering a holistic solution aligned with circular economy principles and next-generation battery demands.

Diels–Alder↗
DOE OSTI2024

In-situ two-dimensional temperature measurements using x-ray fluorescence spectroscopy in laminar flames with high silica particle concentrations

X-ray fluorescence spectroscopy (XRF) was used to measure temperatures and study mixing, for the first time in silica particle synthesis flames. Hexamethyldisiloxane (HMDSO) and trimethylsilanol (TMSO) were the particle precursors. A multi-element diffusion burner was used to produce a flat methane flame, and the precursors, dilute in inert gas, were injected via a central jet. Krypton was the fluorescent medium at 3.2 % concentration by volume. Scans with Kr in the central flow and not in the main flow were made to assess the mixing effects between the central and main gas flows. When HMDSO or TMSO were added, a secondary diffusion flame formed between the jet and the main methane flame. The results revealed a dramatic change in the centerline temperature profile of the jet gases when HMDSO or TMSO were added. The main methane flame stoichiometry also affected the temperature profiles. The results show HMDSO and TMSO reactions are initiated in a lowtemperature and low-oxygen concentration region of the jet where thermal decomposition is not expected to be significant. Reaction of the particle precursors is therefore attributed to radical transport from the main methane flame. In the current work, particle number densities of up to 270 g/m 3 locally are estimated. Thus, the study also demonstrates the capability of the XRF technique for high spatial fidelity measurements in flames with high concentrations of condensed-phase particles, leveraging the attribute that the XRF signal is generally not impacted by condensed-phase interferences. In conclusion, the observations and data obtained in this study inform likely reaction pathways for this important class of siloxane compounds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗