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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Exploring sodium dynamics in the dilute oxygen regime of mixed oxy-sulfide NaPSiSO glasses

All-solid-state‑sodium batteries have great potential to lower the cost of grid-scale energy storage systems. However, they require a low cost, high conductivity solid electrolyte to become a reality. The electrochemical properties of mixed oxy-sulfide glasses NaPSiSO exceed those of either the pure sulfide or the pure oxide glass alone. In this work, we have tested models of sodium ion dynamics in the NaPSiSO series: zNa 2 S+(1-z)[(1-y)[(1-x)SiS 2 + xPS 5/2 ] + yNaPO 3 ] where 0.57 ≤ z ≤ 0.588, 0 ≤ x ≤ 0.35, and 0.15 ≤ y ≤ 0.35 using 23 Na nuclear magnetic resonance to directly probe the local fields and their fluctuations at the nuclear sites. We determined the distribution of activation energies in these materials arising from distributions of local environments and provided quantitative information about the connectivity of the ionic pathways through which the sodium ions move. We found that the sodium ion conduction dynamics were described as an ionic percolation through a Gaussian distribution of energy barriers and that the composition dependence of the ionic conductivity in the dilute oxygen regime is well-described by the Nernst-Einstein relation modified for percolation.

25 ENERGY STORAGE↗
DOE OSTI2022

Probing the hydrolytic degradation of UF 4 in humid air

This manuscript describes the chemical transformations that occur during hydrolysis of uranium tetrafluoride (UF 4 ) due to its storage in humid air (85% and 50% relative humidity) at ambient temperatures. This hydrolysis was previously reported to proceed slowly or not at all (depending on the percent relative humidity); however, previous reports relied primarily on X-ray diffraction methods to probe uranium speciation. Here, we employ a battery of physiochemical probing techniques to explore potential hydrolysis, including Raman spectroscopy, powder X-ray diffraction, 19 F nuclear magnetic resonance spectroscopy, scanning electron microscopy, and focused ion beam microscopy with energy-dispersive X-ray spectroscopy. Of these, only Raman spectroscopy proved to be particularly useful at observing chemical changes to UF 4 . It was found that anhydrous UF 4 slightly oxidizes over the course of thirteen days to Schoepite-like uranium complexes and possibly UO 3 . In contrast, UF 4 exposed to 50% relative humidity slightly decomposes into UO 2 F 2 , Schoepite-like uranium complexes, and possibly a high order uranium oxide that eluded chemical assignment (U x O y ). Despite the rich chemical speciation observed in our Raman spectroscopy measurements, X-ray diffraction and 19 F NMR measurements on the same material showed no changes. Microscopy measurements suggest that the observed reactions between UF 4 and water occur primarily on the surface of UF 4 particulates via a method that is visually similar to surface corrosion of metals. Therefore, we postulate that NMR spectroscopy and X-ray diffraction, which are well-suited for bulk analysis, are less suited than Raman spectroscopy to observe the surface-based reactions that occur to UF 4 when exposed to humid air. Considering the importance of UF 4 in the production of nuclear fuel and weapons, the results presented herein are widely applicable to numerous nuclear science fields where uranium detection and speciation in humid environments is of value, including nuclear nonproliferation and nuclear forensics.

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

Nuclear Magnetic Resonance Dynamics of LiTFSI–Pyrazole Eutectic Solvents

Deep Eutectic Solvents (DESs) have emerged as promising candidates to replace conventional organic solvents in various technological applications due to their low vapor pressure, non-flammability, and ease of preparation at low costs. In particular, Type IV DESs, which are composed of metal salts and hydrogen bond donors, are possible replacements for lithium-ion battery electrolytes. In this study, we investigate the molecular dynamics of solvents of lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) and pyrazole (PYR) at varying LiTFSI:PYR molar ratios (1:2, 1:3, 1:4, 1:5) using Nuclear Magnetic Resonance Dispersion (NMRD) and Pulsed Field Gradient (PFG) Nuclear Magnetic Resonance (NMR). PFG NMR reveals composition-dependent diffusion trends, while NMRD provides molecular-level insights into the longitudinal relaxation rate (R 1 = 1/T 1 ). Notably, the LiTFSI:PYR (1:2) sample shows distinct behavior across both techniques, exhibiting enhanced relaxation rates and lower self-diffusion for 1 H compared to the other nuclei ( 19 F and 7 Li), suggestive of stronger and more efficient Li + –pyrazole interactions, as confirmed by the modeling of the relaxation profiles. Our study advances understanding of ion dynamics in azole-based eutectic solvents, supporting their potential use in safer battery electrolytes.

FFC-NMR↗
DOE OSTI2025

Quantifying the Reactivity of Isolated Li x Si Domains in Si Anodes Using Operando NMR

The use of Si anodes can greatly improve the energy density of Li-ion batteries. However, understanding and mitigation of calendar aging remains a barrier to commercialization. Here, in this short report, we utilize operando Nuclear Magnetic Resonance (NMR) spectroscopy to detect and quantify lithium silicides (Li x Si) as they form and react within Si anodes in pouch cells during calendar aging. We provide direct experimental evidence of complex aging phenomena in the Si anodes, including both SEI growth and dissolution during storage. Formation of electrochemically isolated Li x Si is also observed, as indicated by the partial persistence of highly lithiated phases after the cell is discharged. Remarkably, we show that these isolated domains can themselves self-discharge over time, suggesting that their detection can be challenging in post-mortem studies. Finally, we show that aging outcomes depend heavily on the type of silicon particles contained within the electrode, and that certain surface coatings can help decrease the reactivity between lithium silicides and the electrolyte.

Li-ion battery↗
DOE OSTI2022

Transition Metal Dissolution Mechanisms and Impacts on Electronic Conductivity in Composite LiNi 0.5 Mn 1.5 O 4 Cathode Films

The high-voltage LiNi 0.5 Mn 1.5 O 4 (LNMO) spinel cathode material offers high energy density storage capabilities without the use of costly Co that is prevalent in other Li-ion battery chemistries (e.g., LiNi x Mn y Co z O 2 (NMC)). Unfortunately, LNMO-containing batteries suffer from poor cycling performance because of the intrinsically coupled processes of electrolyte oxidation and transition metal dissolution that occurs at high voltage. In this work, we use operando electron paramagnetic resonance (EPR) and nuclear magnetic resonance (NMR) spectroscopies to demonstrate that transition metal dissolution in LNMO is tightly coupled to HF formation (and thus, electrolyte oxidation reactions as detected with operando and in situ solution NMR), indicative of an acid-driven disproportionation reaction that occurs during delithiation (i.e., battery charging). Leveraging the temporal resolution (s-min) of magnetic resonance, we find that the LNMO particles accelerate the rate of LiPF 6 decomposition and subsequent Mn 2+ dissolution, possibly due to the acidic nature of terminal Mn-OH groups. X-ray photoemission electron microscopy (XPEEM) provides surface-sensitive and localized X-ray absorption spectroscopy (XAS) measurements, in addition to X-ray photoelectron spectroscopy (XPS), that indicate disproportionation is enabled by surface reconstruction upon charging, which leads to surface Mn 3+ sites on the LNMO particle surface that can disproportionate into Mn 2+ (dissolved) and Mn 4+ (s) . During discharge of the battery, we observe high quantities of metal fluorides (in particular, MnF 2 ) in the cathode electrolyte interphase (CEI) on LNMO as well as the conductive carbon additives in the composite. Electronic conductivity measurements indicate that the MnF 2 decreases film conductivity by threefold compared to LiF, suggesting that this CEI component may impede both the ionic and electronic properties of the cathode. Ultimately, to prevent transition metal dissolution and the associated side reactions in spinel-type cathodes (particularly those that operate at high voltages like LNMO), the use of electrolytes that offer improved anodic stability and prevent acid byproducts will likely be necessary.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Operando NMR characterization of cycled and calendar aged nanoparticulate silicon anodes for Li-ion batteries

Replacing graphite anodes with Si anodes can greatly increase the energy of current Li-ion batteries. Detailed characterization of Si lithiation reactions, SEI formation, and reversibility are therefore active areas of research. Solid-state 7 Li nuclear magnetic resonance (NMR) spectroscopy is useful for characterizing different lithium local environments within Si anodes. Here, we developed an operando NMR methodology to characterize aging of carbon-coated nanoparticulate Si anodes in pouch cells paired with Ni-rich cathodes. We observed a new lithiation mechanism in the Si nanoparticles: direct formation of over-lithiated Li 15+x Si 4 (x<0.6) phase. Furthermore, our novel operando cells maintained good performance with long-term cycle and calendar aging. Here we identified trapped lithium silicides as a major contributor to capacity fade with aging. Finally, we determined that the addition of Mg (TFSI) 2 to the electrolyte decreased the amount of trapped lithium silicides and therefore increased the capacity and capacity retention for the nanoparticulate Si used.

25 ENERGY STORAGE↗
DOE OSTI2022

Energy Northwest - Horn Rapids Solar and Storage: An Assessment of Battery Technical Performance

Chartered in 1957 as a joint action agency of the state, Energy Northwest (ENW) is a consortium of 27 public utility districts and municipalities across Washington state. ENW takes advantage of economies of scale and shared services to help utilities run their operations more efficiently and at lower cost, to the benefit of more than 1.5 million customers. ENW develops, owns, and operates a diverse mix of electricity generating resources, including hydro, solar, and wind projects – and the Northwest’s only active nuclear energy facility. These projects provide enough reliable, affordable, and environmentally responsible energy to power more than a million homes each year, and that carbon-free electricity is provided at the cost of generation. The agency continually explores new generation projects to meet its members’ needs. In 2017, as part of the second round of funding from the Washington state Clean Energy Fund, the Washington State Department of Commerce granted up to $3 million in matching funds to develop an estimated $6.5 million project that deployed a 4-MW, 20-acre solar generating array of photovoltaic (PV) panels coupled with a 1 MW/5.5 MWh lithium-iron-phosphate battery energy storage system (BESS) in Richland, Washington. The combination of PV and BESS will provide a predictable, renewable generating source and will also serve as a training ground for solar and battery technicians throughout the nation. The City of Richland will purchase the power from the project and utilize the benefits of the energy storage. The project provides Washington state with its first opportunity to integrate a large-scale solar and storage facility into its clean mix of hydro, nuclear, and wind resources. This first-of-its-kind facility combines solar generation with battery storage and technician training. In 2019, Pacific Northwest National Laboratory (PNNL) worked with ENW to assess the integrated PV and BESS in representative use cases that could benefit the City of Richland. Between March and May 2022, extensive testing was conducted, and the results were used to assess the technical performance of the BESS subjected to actual field operations. Both reference performance and use case tests were performed: (A) Reference performance tests assess the general technical capabilities of the BESS, such as energy capacity, round-trip efficiency (RTE), ramp rate, and signal tracking capability. These are the first tests performed (baseline), and they are repeated after use case tests (post cycle). A standardized U.S. Department of Energy (DOE) energy storage performance protocol was used to characterize the BESS, including representative duty cycle profiles, test procedure guidance, and calculation guidance for determining key characteristics. (B) Use case tests examine the performance of the BESS for specific use cases using duty cycles developed by PNNL in collaboration with ENW. Five use cases were selected for testing: 1) demand charge reduction, 2) load shaping, 3) transmission charge reduction, 4) Volt-VAR service, and 5) outage mitigation. The use case duty cycles were developed based on utility and site-specific characteristics in addition to the technical characteristics and physical capabilities of the BESS. Use case tests were performed between the baseline and post cycle tests. This report describes the BESS and its components, presents testing and performance analysis results, and shares key insights and lessons learned from this project. Outcomes of the tests and analyses will help ENW understand the performance of the Horn Rapids BESS in its current state and design appropriate operational strategies for this and other BESSs over the long term.

14 SOLAR ENERGY↗
DOE OSTI2025

Global Progress Toward Renewable Electricity: Tracking the Role of Solar (Version 5)

Photovoltaics (PV) represented ~70% of newly installed global electricity generating capacity for 2024, continuing a trend of increasing fractional contribution over each of the past 5 years. Year-to-year growth in both PV installations and PV-generated electricity continued at remarkable levels (~32% and ~28%, respectively), while grid scale battery storage again demonstrated triple digit fractional growth (113%). The contribution to electricity generation from combined low-carbon sources (hydro, nuclear, wind, and solar) exceeded a new threshold of 40%. Following its initial publication in 2021, this annual article collects information from multiple sources and presents it systematically as a reference for IEEE Journal of Photovoltaics readers.

14 SOLAR ENERGY↗
DOE OSTI2025

High-Temperature Reference Electrode for Chloride Salts

The unique properties of molten salts enable their use in a wide range of applications, including metal electrodeposition, electrorefining, and as electrolytes in high-temperature batteries. Moreover, molten salts will be used as a coolant in molten salt reactors and as working media in pyrorocessing for nuclear energy applications. As a result, predicting the behavior and properties of the elements involved in the technological processes that employ molten salts is important. The activity of chloride ions in chloride molten salts has a large influence on the behavior of the salts in these applications and one of the key components in measuring the chloride activity is a stable reference electrode. This project aims to develop a reliable and convenient method for measuring chloride ion activity over a wide range of temperatures and salt compositions in chloride salt mixtures.

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

Power Quality and Load Capacity Evaluations of an Electric Vehicle for Multi-Robot System Applications

This paper evaluates the capability of a fully electric pickup truck, using the Ford F-150 Lightning as an example, to provide power to the circuit of a multi-robot system. The case study was conducted on a simulated INL Autonomous Pit Exploration System (APES) designed for the inspection of nuclear waste tank pits. Through a series of controlled tests, the vehicle’s power delivery consistency, load-handling capability, and battery performance were assessed under various conditions. First of all, the load test demonstrated that the vehicle provided stable power with low distortion and no unexpected interruptions. Second, during the operational limit test, the 240V system sustained loads up to 7.4 kW before tripping, providing insights into its operational limits. Last but not least, during a simulated full-scale APES operation, the vehicle’s battery depleted by only 6% over an hour, indicating sufficient capacity for extended use while retaining reserve power for transportation needs. This study highlights the potential of electric vehicles as reliable power sources for field operations, contributing to the advancement of sustainable technologies by reducing reliance on traditional fossil fuel generators and promoting the integration of clean energy solutions in remote and challenging environments.

Electric vehicle↗
DOE OSTI2025

IEEE SusTech 2025 Presentation

This paper evaluates the capability of a fully electric pickup truck, using the Ford F-150 Lightning as an example, to provide power to the circuit of a multi-robot system. The case study was conducted on a simulated INL Autonomous Pit Exploration System (APES) designed for the inspection of nuclear waste tank pits. Through a series of controlled tests, the vehicle’s power delivery consistency, load-handling capability, and battery performance were assessed under various conditions. First of all, the load test demonstrated that the vehicle provided stable power with low distortion and no unexpected interruptions. Second, during the operational limit test, the 240V system sustained loads up to 7.4 kW before tripping, providing insights into its operational limits. Last but not least, during a simulated full-scale APES operation, the vehicle’s battery depleted by only 6\% over an hour, indicating sufficient capacity for extended use while retaining reserve power for transportation needs. This study highlights the potential of electric vehicles as reliable power sources for field operations, contributing to the advancement of sustainable technologies by reducing reliance on traditional fossil fuel generators and promoting the integration of clean energy solutions in remote and challenging environments.

42 - ENGINEERING↗
DOE OSTI2025

Thermal decomposition pathways of bulk electrolytes on vanadium oxide nanocrystals

The thermal stability of electrolytes at an elevated temperature induced by battery charge-discharge cycling is critical for the long cycling performance of a rechargeable battery. For many multivalent systems, such as rechargeable magnesium batteries, which offer great potential for high energy density and utilize earth-abundant resources, electrolyte instability and electrode surface passivation, arising from electrolyte decomposition, remain as major roadblocks. Understanding the electrolyte decomposition pathways at the electrode-electrolyte interface is essential to provide guidance in overcoming this challenge. In this work, in situ 13 C magic angle spinning nuclear magnetic resonance (MAS NMR) and first-principles calculations were used to investigate the thermal decomposition of the electrolyte in a system consisting of MgV 2 O 4 , a novel cathode for magnesium batteries, mixed with a bulk electrolyte consisting of magnesium bis(trifluoromethanesulfonyl)imide (Mg(TFSI) 2 ) in diglyme (G2). We show that significant electrolyte decomposition is observed in bulk 1.0 M Mg(TFSI) 2 in G2 mixed with nanometer sized MgV 2 O 4 powder at elevated temperatures. This observation is to mimic the possible thermal decomposition that might happen during battery cycling. We demonstrate that the MgV 2 O 4 surface is covered by a layer of decomposed G2 products. We conclude that the dominant reaction pathway for electrolyte decomposition is the thermal decomposition of the pure electrolytes at elevated temperatures, followed by adsorption of G2 decomposition products to the MgV 2 O 4 surface. The activation energy for the major decomposition pathway is obtained. In conclusion, this work highlights the importance of studying thermal decomposition of electrolytes for overall system stability and explores electrolyte stability at significantly elevated temperatures.

25 ENERGY STORAGE↗
DOE OSTI2021

R&D with NREL'S Nuclear Magnetic Resonance (NMR) Facility

NREL's state-of-the-art NMR Facility provides scientists the ability to analyze both solid and liquid samples on four NMR spectrometers. NREL's NMR instruments provide distinct capabilities for analyzing a variety of samples from biomass to plastics to battery components. NREL scientists can monitor reactions - even in real time - to further their understanding of the fundamental chemical processes that may drive the development of next-generation sustainable fuels, materials, and products.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2025

Interphase Engineering Enabled by Using a Separator with Electrochemically Active Carbazole Polymers for Lithium-Ion Batteries

Separators are generally considered inert components in lithium-ion batteries. In the past, some electroactive polymers have been successfully applied in separator modifications for overcharge protection or as acid scavengers. This study highlights the first use of two “electroactive” carbazole polymers (copolymer 9-phenyl-9H-carbazole-phenyl [PCP] and poly(9-vinylcarbazole) [PVC]), which were each applied separately as coatings on the cathode-facing side of commercial Celgard 2325 separators, respectively, to enhance the cycling performance of 0.3Li 2 MnO 3 ·0.7LiMn 0.5 Ni 0.5 O 2 //graphite (LMR-NM//Gr) full cells through interphase engineering. The team observed an irreversible polymer oxidation process of the carbazole-functionalized polymers—occurring only during the first charge—for the modified separator cells, and the results were confirmed by dQ/dV analysis, cyclic voltammetry measurements, and nuclear magnetic resonance characterizations. During this oxidation, carbazole polymers participate in the process of interphase formation, contributing to the improved cycling performance of LMR-NM//Gr batteries. Particularly, oxidation takes place at voltages of ~4.0 and ~3.5 V when PCP and PVC are used as separator coatings, which is highly irreversible. Further postmortem examinations suggest that the improvements using these modified separators arise from the formation of higher-quality and more inorganic SEI, as well as the beneficial CEI enriched in LixPOyFz. These interphases effectively inhibit the crosstalk effect by reducing TM dissolution.

carbazole↗
DOE OSTI2020

A Nuclear Magnetic Resonance Study of Cation and Anion Dynamics in Polymer–Ceramic Composite Solid Electrolytes

Polymer–ceramic composite electrolytes are promising for the application of all-solid-state lithium-ion batteries with high energy density and improved safety. In this work, we employ temperature-dependent 7 Li and 19 F NMR to examine the chemical environment and the dynamics of Li + cation and triflate anion in poly(ethylene oxide) (PEO)–lithium triflate (LiTf) polymer electrolyte and a composite electrolyte containing 55 vol % doped lithium aluminum titanium phosphate (LICGC). The line shape analysis and spin–lattice relaxation (T 1 ) measurements suggest both the Li + cations and the Tf – anions reside in two distinct environment: a mobile environment and an immobile environment. In the semicrystalline state, a large ratio (>70%) of immobile Li + and Tf – is observed. In the melt state, the ratio of mobile cations and anions significantly increases. With the presence of LICGC ceramic, an increased ratio of immobile Li + and Tf – and reduced mobility of the mobile components are observed, indicating that the ceramic negatively impacts the transport of both the cations and the anions. NMR characterizations are corroborated by conductivity results, which reveal that the intrinsic ionic conductivity of the polymer phase of the composite electrolyte was only 0.15 of the ceramic-free polymer electrolyte at room temperature. These results shed light on the challenges inherent to composite electrolytes with the goal of achieving both enhanced Li + transference number and ionic conductivity.

25 ENERGY STORAGE↗
DOE OSTI2020

Quantifying redox heterogeneity in single-crystalline LiCoO 2 cathode particles

Active cathode particles are fundamental architectural units for the composite electrode of Li-ion batteries. The microstructure of the particles has a profound impact on their behavior and, consequently, on the cell-level electrochemical performance. LiCoO 2 (LCO, a dominant cathode material) is often in the form of well-shaped particles, a few micrometres in size, with good crystallinity. In contrast to secondary particles (an agglomeration of many fine primary grains), which are the other common form of battery particles populated with structural and chemical defects, it is often anticipated that good particle crystallinity leads to superior mechanical robustness and suppressed charge heterogeneity. Yet, sub-particle level charge inhomogeneity in LCO particles has been widely reported in the literature, posing a frontier challenge in this field. Herein, this topic is revisited and it is demonstrated that X-ray absorption spectra on single-crystalline particles with highly anisotropic lattice structures are sensitive to the polarization configuration of the incident X-rays, causing some degree of ambiguity in analyzing the local spectroscopic fingerprint. To tackle this issue, a methodology is developed that extracts the white-line peak energy in the X-ray absorption near-edge structure spectra as a key data attribute for representing the local state of charge in the LCO crystal. This method demonstrates significantly improved accuracy and reveals the mesoscale chemical complexity in LCO particles with better fidelity. In addition to the implications on the importance of particle engineering for LCO cathodes, the method developed herein also has significant impact on spectro-microscopic studies of single-crystalline materials at synchrotron facilities, which is broadly applicable to a wide range of scientific disciplines well beyond battery research.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Policy implications of net-zero emissions: A multi-model analysis of United States emissions and energy system impacts

Many countries, subnational jurisdictions, and companies are setting net-zero emissions goals; however, questions remain about strategies to reach these targets, policy measures, technology gaps, and economic impacts. Here, we investigate the potential policy implications of reaching economy-wide net-zero CO 2 emissions across the United States by 2050 using results from a multi-model comparison with 14 energy-economic models. Model results suggest that achieving net-zero CO 2 targets depends on policies that accelerate deployment of zero- and low-emitting technologies that have seen rapid cost reductions in recent years (including wind, solar, battery storage, and electric vehicles) as well as relatively nascent options (including carbon capture and storage, advanced biofuels, low-carbon hydrogen, advanced nuclear, and long-duration energy storage). While net-zero policies are likely to lower fossil fuel consumption, including considerable coal and petroleum reductions, achieving net-zero emissions does not necessarily mean phasing out all fossil fuels. Model results indicate that the Inflation Reduction Act’s energy and climate provisions amplify near-term decarbonization but that net-zero policies have larger impacts on long-run outcomes. Stringent climate policy can have large fiscal impacts on tax revenue and government spending—revenues from carbon pricing and subsidies for carbon removal range from 0.1 % to 3.7 % of GDP in 2050 across models. Each dollar per metric ton carbon price leads to a 0.06 % to 0.31 % reduction in economy-wide CO 2 emissions relative to a reference scenario with current policies. Spending on energy across the economy decreases relative to today for many models under reference and net-zero policies, especially as a share of GDP, due primarily to end-use electrification and energy efficiency.

54 ENVIRONMENTAL SCIENCES↗