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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Manganese-rich high entropy oxides for lithium-ion batteries:materials design approaches to address voltage fade

Lithium- and manganese-rich oxides are of interest as lithium-ion battery cathode materials as Mn is earth abundant, low cost, and can deliver high capacity. Herein, a high entropy strategy was used to prepare Mn rich high entropy oxide (HEO) materials by including four additional metals (Ni, Co, Fe and Al) in the compositions using a mild co-precipitation method. Two HEOs (Li x Ni 0.1 Mn 0.6 Co 0.1 Al 0.1 Fe 0.1 O y , where x = 1.5 for HEO-L and x = 0.5 for HEO-H) with layered and spinel-layered hybrid structures were investigated where the morphology, elemental composition, structure, atomic level phase distribution, and electrochemistry were determined. The HEO-L samples involve a Li 2 TMO 3 layered structure with ~39% stacking faults. HEO-H is a hybrid structure comprised of 80 wt% spinel and 20 wt% LiMO 2 layered structure. The high entropy manganese-rich HEO-L showed higher capacity and 93% retention of the average voltage after 100 cycles while HEO-H showed higher capacity retention and near 100% average voltage retention. Finally, operando X-ray absorption spectroscopy revealed that the Ni, Co, and Mn are redox active in both materials while the Fe center remains at the Fe 3+ oxidation state throughout cycling, where the changes in the oxidation states for both materials during discharge were consistent with the delivered electrochemical capacity rationalizing the observed electrochemistry.

25 ENERGY STORAGE↗
DOE OSTI2024

Unlocking iron metal as a cathode for sustainable Li-ion batteries by an anion solid solution

Traditional cathode chemistry of Li-ion batteries relies on the transport of Li-ions within the solid structures, with the transition metal ions and anions acting as the static components. Here, we demonstrate that a solid solution of F – and PO 4 3– facilitates the reversible conversion of a fine mixture of iron powder, LiF, and Li 3 PO 4 into iron salts. Notably, in its fully lithiated state, we use commercial iron metal powder in this cathode, departing from electrodes that begin with iron salts, such as FeF 3 . Our results show that Fe-cations and anions of F – and PO 4 3– act as charge carriers in addition to Li-ions during the conversion from iron metal to a solid solution of iron salts. This composite electrode delivers a reversible capacity of up to 368 mAh/g and a specific energy of 940 Wh/kg. Our study underscores the potential of amorphous composites comprising lithium salts as high-energy battery electrodes.

25 ENERGY STORAGE↗
NASA NTRS1987

Plasma motor generator system

The significant potential advantages of a plasma motor generator system over conventional systems for the generation of electrical power and propulsion for spacecraft in low Earth orbits warrants its further investigation. The two main components of such a system are a long insulated wire and the plasma generating hollow cathodes needed to maintain electrical contact with the ionosphere. Results of preliminary theoretical and experimental investigations of this system are presented. The theoretical work involved the equilibrium configurations of the wire and the nature of small oscillation about these equilibrium positions. A particularly interesting result was that two different configurations are allowed when the current is above a critical value. Experimental investigations were made of the optimal starting and running conditions for the proposed, low current hollow cathodes. Although optimal ranges of temperature, argon pressure and discharge voltage were identified, start up became progressively more difficult. This supposed depletion or contamination of the emissive surface could be countered by the addition of new emissive material.

Hite, Gerald E.↗
NASA NTRS1991

An experimental investigation of hollow cathode-based plasma contactors

Experimental results are presented which describe operation of the plasma environment associated with a hollow cathod-based plasma contactor collecting electrons from or emitting them to an ambient, low density Maxwellian plasma. A one-dimensional, phenomenological model of the near-field electron collection process, which was formulated from experimental observations, is presented. It considers three regions, namely, a plasma cloud adjacent to the contactor, an ambient plasma from which electrons are collected, and a double layer region that develops between the contactor plasma cloud and the ambient plasma regions. Results of the electron emission experiments are also presented. An important observation is made using a retarding potential analyzer (RPA) which shows that high energy ions generally stream from a contactor along with the electrons being emitted. A mechanism for this phenomenon is presented and it involves a high rate of ionization induced between electrons and atoms flowing together from the hollow cathode orifice. This can result in the development of a region of high positive potential. Langmuir and RPA probe data suggest that both electrons and ions expand spherically from this hill region. In addition to experimental observations, a one-dimensional model which describes the electron emission process and predicts the phenomena just mentioned is presented and shown to agree qualitatively with these observations.

Williams, John D.↗
NASA NTRS1991

Improved Li/TiS2 cell cycling in ether-based electrolytes with synergistic additives

Based on an extensive series of normalized full cell Li/TiS2 cycling studies, open-circuit storage tests, microcalorimetry and AC impedance studies, and chemical precedent, we propose an integrated chemical model consistent with experimental observations concerning the behavior of numerous LiAsF6/cyclic ether electrolytes. The particularly striking potency of certain additives such as 2-methylfuran and the hydroxide action resides in their ability to intercept several different adverse catalytic processes concurrently in the bulk electrolyte as well as the Li anode and TiS2 cathode.

Dominey, L. A.↗
NASA NTRS2017

The Iodine Satellite (iSAT) Propellant Feed System - Design and Development

The development, modeling, and testing of components and subsystems required to feed iodine propellant to a 200-W Hall thruster and cathode are described. This work aims to address design deficiencies and issues associated with the propellant feed system that were revealed by an integrated thruster-cathode-feed system test. The feed system design is modified to use materials that are more resistant to the highly-reactive nature of iodine propellant. Dynamic modeling indicates that the inclusion of additional constraints on feed system tubing will reduce the vibrationally-induced stresses that occur during launch. Full spacecraft thermal modeling show that the feed system heater power levels are sufficient to heat the tank and propellant lines to operating temperatures, where iodine in the tank is sublimed to supply propellant for operation and the tubing is elevated in temperature to keep propellant from redepositing to block the flow. Experiments are conducted to demonstrate that is it possible through the application of heating to clear an iodine deposit blocking the flow. Deposits in the low-pressure portion of the system near the exit to vacuum are shown to be relatively easy to remove in this manner while blockages forming upstream nearer to the higher-pressure propellant tank require significantly more effort to remove. Fluid flow modeling of the feed system is performed, exhibiting some qualitative agreement with experimental data. However, the highly viscous nature of the fluid flow and the dependence of the component flow coefficients on the Reynolds number are likely causes of the generally-poor quantitative agreement between the modeling results and experimentally-measured fluid flow properties.

Polzin, Kurt A.↗
DOE OSTI2024

PINN surrogate of Li-ion battery models for parameter inference, Part II: Regularization and application of the pseudo-2D model

Bayesian parameter inference is useful to improve Li-ion battery diagnostics and can help formulate battery aging models. However, it is computationally intensive and cannot be easily repeated for multiple cycles, multiple operating conditions, or multiple replicate cells. To reduce the computational cost of Bayesian calibration, numerical solvers for physics-based models can be replaced with faster surrogates. A physics-informed neural network (PINN) is developed as a surrogate for the pseudo-2D (P2D) battery model calibration. For the P2D surrogate, additional training regularization was needed as compared to the PINN single-particle model (SPM) developed in Part I. Both the PINN SPM and P2D surrogate models are exercised for parameter inference and compared to data obtained from a direct numerical solution of the governing equations. A parameter inference study highlights the ability to use these PINNs to calibrate scaling parameters for the cathode Li diffusion and the anode exchange current density. By realizing computational speed-ups of ~2250x for the P2D model, as compared to using standard integrating methods, the PINN surrogates enable rapid state-of-health diagnostics. Finally, in the low-data availability scenario, the testing error was estimated to ~2 mV for the SPM surrogate and ~10 mV for the P2D surrogate which could be mitigated with additional data.

25 ENERGY STORAGE↗
DOE OSTI2025

Review of Layered Transition Metal Oxide Materials for Cathodes in Sodium-Ion Batteries

The growing interest in sodium-ion batteries (SIBs) is driven by scarcity and the rising costs of lithium, coupled with the urgent need for scalable and sustainable energy storage solutions. Among various cathode materials, layered transition metal oxides have emerged as promising candidates due to their structural similarity to lithium-ion battery (LIB) counterparts and their potential to deliver high energy density at reduced costs. However, significant challenges remain, including limited capacity at high charge/discharge rates and structural instability during extended cycling. Addressing these issues is critical for advancing SIB technology toward industrial applications, particularly for large-scale energy storage systems. This review provides a comprehensive analysis of layered sodium transition metal oxides, focusing on their structural properties, electrochemical performance, and degradation mechanisms. Special attention is given to the intrinsic and extrinsic factors contributing to their instability, such as structural phase transitions, and cationic/anionic redox behavior. Additionally, recent advancements in material design strategies, including doping, surface modifications, and composite formation, are discussed to highlight the progress toward enhancing the stability and performance of these materials. This work aims to bridge the knowledge gaps and inspire further innovations in the development of high-performance cathodes for sodium-ion batteries.

Ahangari, Mehdi (ORCID:0000000345803969)↗
NASA NTRS1973

Performance of a 15 cm ion thruster with reliable restart capability

Experimental evaluation of a modified SERT II thruster with dished grids capable of producing a 600 ma ion beam at 2690 sec specific impulse and achieving rapid, reliable startup is described. In addition to steady-state performance curves, thruster performance is examined over the duration of rapid startup and one hour operating sequence. Rapid startup utilizing high voltage spark ignition of the main and neutralizer cathodes is described. Minimal deterioration of the cathodes and the ignition system during 1000 neutralizer cathode startups and 2000 main cathode startups is demonstrated. The need for heaters and a vaporizer control system to facilitate more rapid startup is identified.

Wilbur, P. J.↗
NASA NTRS1991

Plasma contactor research, 1990

Emissive and Langmuir probes were used to measure plasma potential profiles, plasma densities, electron energy distributions, and plasma noise levels near a hollow cathode-based plasma contactor emitting electrons. The effects of electron emission current (100 to 1500 mA) and contactor flowrate (2 to 10 sccm (Xenon)) on these data are examined. Retarding potential analyzer (RPA) measurements showing that high energy ions generally stream from a contactor along with the electrons being emitted are also presented, and a mechanism by which this occurs is postulated. This mechanism, which involves a high rate of ionization induced between electrons and atoms flowing together from the hollow cathode orifice, results in a region of high positive space charge and high positive potential. Langmuir and RPA probe data suggests that both electrons and ions expand spherically from this potential hill region. In addition to experimental observations, a simple one-dimensional model which describes the electron emission process and predicts the phenomena just mentioned is presented and is shown to agree qualitatively with these observations. Experimental results of the first stage of bilateral cooperation with the Italian Institute of Interplanetary Space Physics (IFSI CNR) are presented. Sharp, well-defined double layers were observed downstream of a contactor collecting electrons from an ambient plasma created in the IFSI Facility. The voltage drop across these double layers was observed to increase with the current drawn from the ambient plasma. This observation, which was not as clear in previous IFSI tests conducted at higher neutral pressures, is in agreement with previous experimental observations made at both Colorado State University and NASA Lewis Research Center. Greater double layer voltage drops, multiple double layers, and higher noise levels in the region near the double layers were also observed when a magnetic field was imposed and oriented perpendicular to the line joining the contactor and simulator.

Williams, John D.↗
NASA NTRSDate not supplied

Predicting Thermal Response in a Li-ion Cell on a UAV Fight Profile

As the energy storage devices continue to "pack" more energy in a small space, any damage, battery component failure, manufacturing defect, or electrically abusing the battery can lead to catastrophic thermal runaway events. A catastrophic thermal event in a cell leads to high temperature, in some instances spewing of battery materials due to gas development from side reactions initiated due to high internal temperatures. Also, a thermal runaway event can propagate from a single "failed" cell to the pack in a battery pack, leading to a more significant event. Mitigating a thermal runaway event is important in the commercial and automotive sectors. However, preventing such events in an electric aircraft (or air taxis) is paramount due to the lack of alternatives in the event of a failure. Battery prognostics algorithms allow the prediction of state-of-charge (SOC) and end-of-life (EOL) of a Li-ion battery in a UAV (unmanned air vehicle) [1]. For this presentation, we will extend this two-level battery predictive algorithm to predict SOC, EOL, and estimated maximum temperature during a simulated flight. The model is extended by integrating a lumped physics-driven thermal model for high current densities [2]. The parameters used to control SOC and EOL are maximum storable charge, time constant for Li-ion diffusivity in the carbon particles, and internal cell resistance. Cycling leads to an increase in the heat generated by an aged Li-ion cell with a LiyCoO2 (LCO) cathode and a LixC6 (MCMB) anode. The aging of a cell leads to increase in SEI layer thickness, the diffusion time for the lithium ions inside the electrodes, and the local reaction rates, in addition to the thermodynamic abuse caused by fixed cycling voltages controlled by a Battery Management System. As the battery ages, the cell resistance increases, while the onset temperature of the thermal runaway decreases (depends on the cell chemistry and cell abuse history). Any large deviation of the cell temperature from the estimated (expected) value can identify a faulty cell. Since SEI decomposition has the lowest onset temperature in the series of reactions leading to thermal runaway, the model considers the self-heating rate of the SEI decomposition as onset temperature (similar to Ref. [3]). The parameters in the Arrhenius equation for the SEI heating rate depend on the number of cycles, the cell's operating temperature, and the cell's abuse history [4,5]. Coupling the electrochemical, thermal, and aging model allow the prognostic algorithm to estimate a typical cell voltage and temperature as a function of age (cycling and calendar), whose departure from measured values from the BMS is used to identify a safety event. In addition, we will present the results from two simulated flight scenarios for a UAV: typical and extreme, since the power requirements vary significantly during take-off, landing, and changing altitudes, while the power requirements remain low during the cruise. For this presentation, the power requirement for a battery pack in a UAV is scaled to a single cell. This cell is cycled through a simulated profile, and the data is collected and used to predict a safety event.

Li-ion↗
DOE OSTI2020

Cation Additive Enabled Rechargeable LiOH-Based Lithium–Oxygen Batteries

Lithium-oxygen (Li-O 2 ) batteries have attracted extensive research interest due to their high energy density. Other than Li 2 O 2 (a typical discharge product in Li-O 2 batteries), LiOH has proved to be electrochemically active as an alternative product. Here we report a simple strategy to achieve a reversible LiOH-based Li-O 2 battery by using a cation additive, sodium ions, to the lithium electrolyte. Without redox mediators in the cell, LiOH is detected as the sole discharge product and it charges at a low charge potential of 3.4 V. A solution-based reaction route is proposed, showing that the competing solvation environment of the catalyst and Li+ leads to LiOH precipitation at the cathode. It is critical to tune the cell chemistry of Li-O 2 batteries by designing a simple system to promote LiOH formation/decomposition.

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

Electrostatic‐Attraction‐Driven Self‐Assembled Graphene‐Disordered Rocksalt Composite Cathode for Lithium‐Ion Batteries

Disordered rocksalt cathodes hold promise for achieving high-capacity lithium-ion batteries while using low-cost, earth-abundant elements. However, their electrochemical performance remains critically limited by their poor electronic conductivity. Conventional strategies such as high-energy ball milling with excess carbon additives can improve conductivity but remain challenging to scale and often produce defects and increase surface area, thereby accelerating capacity degradation. Herein, we report an alternative approach of electrostatic-attraction-driven self-assembly to fabricate Li 1.2 Mn 0.6 Ti 0.2 O 1.8 F 0.2 (LMTOF) particles uniformly wrapped with electronically conductive graphene sheets without associated materials degradation. The graphene-wrapped LMTOF demonstrates significantly improved cycling stability (89% capacity retention after 100 cycles) and superior rate capability compared with an LMTOF-carbon composite electrode fabricated using the conventional high-energy ball-milling process. Post-cycling analysis reveals reduced oxygen evolution, suppressed unwanted side reactions, and improved structural integrity for the graphene-LMTOF composite. This work highlights the advantages of solution-based carbon wrapping and offers a scalable strategy to prepare high-performance DRX cathodes for lithium-ion batteries.

carbon composite↗
DOE OSTI2021

Understanding how single-atom site density drives the performance and durability of PGM-free Fe–N–C cathodes in anion exchange membrane fuel cells

One of the most important needs for the future of low-cost fuel cells is the development of highly active platinum group metal (PGM)-free catalysts. For the oxygen reduction reaction, Fe–N–C materials have been widely studied in both acid and alkaline media. However, reported catalysts in the literature show quite different intrinsic activity and in-cell performance, despite similar synthesis routes and precursors. Here, two types of Fe–N–C are prepared from the same precursor and procedure – the main difference is how the precursor was handled prior to use. It is shown that in one case Fe overwhelmingly existed as highly active single-metal atoms in FeN4 coordination (preferred), while in the other case large Fe particles coexisting with few single metal atoms were obtained. As a result, there were drastic differences in the catalyst structure, activity, and especially in their performance in an operating anion exchange membrane fuel cell (AEMFC). Additionally, it is shown that catalyst layers created from single-atom-dominated Fe–N–C can have excellent performance and durability in an AEMFC using H 2 /O 2 reacting gases, achieving a peak power density of 1.8 W cm -2 – comparable to similar AEMFCs with a Pt/C cathode – and being able to operate stably for more than 100 h. Finally, the Fe–N–C cathode was paired with a low-loading PtRu/C anode electrode to create AEMFCs (on H 2 /O 2 ) with a total PGM loading of only 0.135 mg cm -2 (0.090 mg Pt cm -2 ) that was able to achieve a very high specific power of 8.4 W mg PGM -1 (12.6 W mg Pt< sup>-1 ).

36 MATERIALS SCIENCE↗
DOE OSTI2024

Stabilizing Nickel‐Rich Cathodes in Aqueous Process through Nanocellulose as Water Barrier

Nickel-rich LiNi 0.8 Co 0.1 Mn 0.1 O 2 (NMC 811) cathode offers high voltage and high specific capacity, making it promising for high energy density batteries. However, large-scale manufacturing of aqueous-processed NMC 811 electrodes remains challenging due to proton exchange causing material decomposition and capacity loss. This work addresses this issue by constructing an in situ nanocellulose protective layer for NMC 811 particles via electrostatic interactions during the slurry preparation. For the first time, the interatomic spacing between inter-chains of nanocellulose is measured through wide-angle X-ray scattering and demonstrate the ability to effectively confine interlayer water using atomistic simulations. Moreover, this nanocellulose coverage simultaneously minimizes Li + surface segregation and mitigates water infiltration. Owing to less material decomposition during the aqueous processing, nanocellulose-protected NMC electrodes exhibit higher initial coulombic efficiency (83% vs 62% at 0.1C) and capacity (133 vs 59 mAh g −1 at 6C) than unprotected electrodes. Additionally, optimized aqueous-processed NMC electrodes offer comparable or even superior electrochemical properties compared to the electrodes fabricated using the conventional toxic organic solvent, N-methyl-2-pyrrolidone. Consequently, the developed approach enables affordable, sustainable aqueous processing for Nickel-rich NMC 811 cathodes with excellent electrochemical performances.

25 ENERGY STORAGE↗
DOE OSTI2022

Underlying limitations behind impedance rise and capacity fade of single crystalline Ni-rich cathodes synthesized via a molten-salt route

Layered oxide LiNi x Mn y Co z O 2 (NMC) cathodes are often synthesized as polycrystalline secondary particles. Due to intergranular fracture stemming from volume changes of randomly oriented primary particles during charge/discharge, the synthesis of larger single-crystalline cathodes is of high interest. In this work, molten salt assisted growth of micron-sized Ni-rich crystals is achieved with excellent crystallinity, low cation mixing, and negligible impurities. However, electrochemical performance is compromised by high surface reactivity resulting in decomposition of electrolyte and subsequent formation of a thick CEI layer. While intergranular fracture is eliminated, planar gliding and severe intragranular fracture along the (003) plane occurs in the high voltage region within the first few cycles and is associated primarily with H2 to H3 structural transitions. In addition, H2 to H3 transitions are highly irreversible with cyclic voltammograms revealing polarization growth within <5 cycles. Subsequently, the single-crystalline material exhibited markedly reduced available capacity and enhanced capacity fade from sharp impedance growth compared to its polycrystalline counterpart. Here, this work furthers a fundamental understanding into the limitations of single-crystalline Ni-rich cathodes, and the obstacles limiting the advantages offered by the single-crystalline morphology.

25 ENERGY STORAGE↗
DOE OSTI2025

Deciphering the local structure of Prussian blue analogue cathodes with Raman spectroscopy for sodium-ion batteries

Iron-based Prussian blue analogues (PBAs) have gained attention as low-cost, relatively higher-potential cathodes for sodium-ion batteries, due to their open 3D-framework structures. However, understanding the local structural changes is critical to unveiling the intercalation pathways and degradation mechanisms. We employ here operando Raman spectroscopy to probe the changes in the cyanide vibrational modes during cycling and degradation after cycling, which are not adequately resolved by X-ray diffraction due to the low structure factor and limited X-ray sensitivity of the cyanide groups. Vibrational spectroscopy has thus proven essential for deciphering these complex materials. Additionally, we implement pre-sodiation strategies to assess the impact of sodium inventory loss by pairing PBAs with a hard carbon anode in a full-cell configuration. Operando galvanostatic electrochemical impedance spectroscopy (EIS) and ex situ X-ray photoelectron spectroscopy (XPS) further elucidate the interface evolution and the role of water molecules in forming the cathode-electrolyte interphase (CEI) and solid-electrolyte interphase (SEI). The insights gained advance the understanding of PBAs and enhance their practical viability.

25 ENERGY STORAGE↗