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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 415 records · Page 23
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DOE OSTI2025

An Integrated Paradigm for the Management of Delivery Risk in Electricity Markets: From Batteries to Insurance and Beyond

If power systems transition to integrate higher amounts of variable renewable energy sources, storage technologies, and distributed energy resources (DERs), new risk management frameworks are necessary to ensure cost-effective and reliable power system operations. Projects funded by the Advanced Research Projects Agency-Energy (ARPA-E) Performance-based Energy Resource Feedback, Optimization, and Risk Management (PERFORM) program aim to contribute new risk management frameworks by developing methods to quantify and manage risk at grid asset and system levels. The National Renewable Energy Laboratory (NREL) led a PERFORM project in collaboration with the Johns Hopkins University, the Electric Power Research Institute (EPRI), kWh Analytics, Packetized Energy, and Imperial Consultants (ICON). The project addressed two challenges related to risk management in electricity markets: managing net load imbalances and flexibility from DERs. This final technical report presents a list of project accomplishments, activities, and outputs.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Correlating Catalyst Design and Discharged Product to Reduce Overpotential in Li-CO 2 Batteries

Li-CO 2 batteries with dual efficacy for greenhouse gas CO 2 sequestration and high energy output have been regarded as a promising electrochemical energy storage technology. However, battery feasibility has been hampered by inferior electrochemical performance due to large overpotentials and low cyclability primarily caused by the difficult decomposition of ultra-stable Li 2 CO 3 during charge. The use of cathode catalysts has been highlighted as a promising solution and catalyst properties, as well as the nature of discharge products, are closely correlated with electrochemical performance. Here, the catalyst design strategies that include active site enrichment, electrical transport enhancement, and mass transfer improvement are summarized. Catalyst effects on product decomposition are then subsequently introduced, while product geometry and chemical composition will be explored, with an emphasis on the formation/decomposition of Li 2 C 2 O 4 instead of Li 2 CO 3 . Building on previous research, future directions that facilitate improvements in catalyst design are put forward to reinforce the fundamental development of Li-CO 2 batteries.

25 ENERGY STORAGE↗
DOE OSTI2025

Solvent Dynamics in Gel Polymer Electrolytes for Lithium–Sulfur Batteries

Li−sulfur (Li−S) batteries are promising as the next-generation energy storage technology but face challenges due to sluggish sulfur redox reaction (SRR) kinetics and a sulfur shuttling effect. While many studies have explored polycaprolactone (PCL)-based gel polymer electrolytes (GPEs) to address these issues, the influence of solvent properties, including dielectric constant (ϵ) and donor and acceptor numbers (DN and AN), remain unexplored despite their critical impact on performance and full-scale implementation. This study systematically compares three distinct electrolytes, dimethoxyethane (DME), dimethyl sulfoxide (DMSO), and tetraethylene glycol dimethyl ether (TEGDME)-paired with PCL, to correlate the varied solvent properties and their effects on the physical properties of the GPE, in terms of Li + transport and solvation, and polysulfide’s confinement. Among them, the DME-based GPE, with an intermediate DN, exhibited the lowest crystallinity (2.31%), highest ionic conductivity (7.49 mS/cm), and high Li + transference number (0.77). As a result, it achieved a specific capacity of 795 mAh/g sulfur and an average Coulombic efficiency of 97.5% after 120 cycles at C/5, outperforming its competitors. Operando Raman and UV−vis spectroscopy confirmed that PCL effectively confines long-chain polysulfides within its network, mitigating the shuttle effect and facilitating reversible polysulfide conversion. These findings demonstrate that GPEs with moderate DN values and balanced ϵ significantly enhance stability, extend cycle life, and improve rate performance for Li−S batteries. This work provides valuable insights into the design of advanced electrolyte systems for practical energy storage applications.

25 ENERGY STORAGE↗
DOE OSTI2025

Alkali triel chalcogenide nanocrystals: a molecular reactivity approach to ternary phase selectivity

Alkali-metal-based materials are promising building blocks for energy conversion and storage technologies. Here, we use a molecular reactivity-based solution-phase approach to selectively synthesize multiple phases and specific polymorphs of lithium- and sodium-containing triel chalcogenide nanocrystals, LiTrCh 2 , NaTrCh 2 , and NaTr 3 Ch 5 , where Tr = Ga and In and Ch = S, Se, and Te. Analogous to the case of binary II–VI and III–V tetrahedral semiconductors, where the two commonly isolated zinc blende and wurtzite polymorphs are separated by only 1–50 meV f.u. −1 , we find that LiTrCh 2 nanocrystals easily adopt tetragonal (chalcopyrite) and orthorhombic polymorphs separated by only 2.7–6.2 meV f.u. −1 Because of this small energy difference, soft colloidal synthesis succeeds in accessing either one of these polymorphs, depending on the specific dichalcogenide precursor used. Highly reactive diethyl diselenide favors the thermodynamically more stable tetragonal I$\bar{4}2$d phase, whereas mildly reactive diphenyl diselenide favors the kinetic, metastable orthorhombic Pna2 1 phase. Density functional theory calculations confirm the relative energies among multiple LiTrCh 2 polymorphs and also model the observed powder X-ray diffraction pattern of a new C2 NaIn 3 Te 5 phase. 7 Li, 69 Ga, and 77 Se solid-state NMR spectra are consistent with phase-pure ternary LiGaSe 2 nanocrystals. A majority of the nanocrystal compositions are visible-light emitters. This work opens the door to new Li/Na-based ternary triel chalcogenide nanostructures for energy storage and conversion applications.

Pavel, Md Riad Sarkar [Iowa State Univ., Ames, IA ↗
DOE OSTI2023

Understanding Electrochemical Reaction Mechanisms of Sulfur in All‐Solid‐State Batteries through Operando and Theoretical Studies **

Abstract Due to its outstanding safety and high energy density, all‐solid‐state lithium‐sulfur batteries (ASLSBs) are considered as a potential future energy storage technology. The electrochemical reaction pathway in ASLSBs with inorganic solid‐state electrolytes is different from Li‐S batteries with liquid electrolytes, but the mechanism remains unclear. By combining operando Raman spectroscopy and ex situ X‐ray absorption spectroscopy, we investigated the reaction mechanism of sulfur (S 8 ) in ASLSBs. Our results revealed that no Li 2 S 8, Li 2 S 6, and Li 2 S 4 were formed, yet Li 2 S 2 was detected. Furthermore, first‐principles structural calculations were employed to disclose the formation energy of solid state Li 2 S n (1≤ n ≤8), in which Li 2 S 2 was a metastable phase, consistent with experimental observations. Meanwhile, partial S 8 and Li 2 S 2 remained at the full lithiation stage, suggesting incomplete reaction due to sluggish reaction kinetics in ASLSBs.

25 ENERGY STORAGE↗
DOE OSTI2023

Enhanced Dynamics and Charge Transport at the Eutectic Point: A New Paradigm for the Use of Deep Eutectic Solvent Systems

Deep eutectic solvents (DESs) are a class of versatile solvents with promise for a wide range of applications, from separation processes to electrochemical energy storage technologies. A fundamental understanding of the correlation among the structure, thermodynamics, and dynamics of these materials necessary for targeted rational design for specific applications is still nascent. Here, we employ differential scanning calorimetry (DSC), broadband dielectric spectroscopy (BDS), and femtosecond transient absorption spectroscopy (fs-TAS) to investigate the correlation among thermodynamics, dynamics, and charge transport in mixtures comprising a wide range of compositions of choline chloride (ChCl) and ethylene glycol (EG). Detailed analyses reveal that (i) the eutectic composition of this prototypical DES occurs in the 15–20 mol % ChCl in the EG range rather than the previously assumed 33 mol %, and (ii) both rotational dynamics and charge transport at the eutectic composition are enhanced in this composition range. These findings highlight the fundamental interplay between thermodynamics and dynamics in determining the properties of DESs that are relevant to many applications.

25 ENERGY STORAGE↗
DOE OSTI2024

Origin of deactivation of aqueous Na–CO 2 battery and mitigation for long-duration energy storage

Here, the development of long-duration energy storage technology is crucial to facilitate the efficient utilization of renewable energy sources while mitigating carbon dioxide production. In this study, we investigate the deactivation and reactivation mechanisms of the aqueous Na–CO 2 battery during extended cycling. We have designed the cathode to include non-precious intermetallic catalysts. As the cell undergoes repeated cycles, the voltage polarization during discharge progressively rises, eventually leading to the cell's deactivation and formation of decomposition products clogging the electrode surface. Results obtained from comprehensive characterization techniques, including conductive atomic force microscopy (cAFM), Raman spectroscopy, X-ray photoelectron spectroscopy, X-ray diffraction, and inductively coupled plasma-mass spectrometry provide insight into the decomposition products. We also showcase an electrochemical approach for regeneration of these aqueous cells. Our findings, along with the insights we have gained, provide a path toward creating long-duration systems with self-healing properties.

25 ENERGY STORAGE↗
DOE OSTI2020

A charge-density-based general cation insertion algorithm for generating new Li-ion cathode materials

Future lithium (Li) energy storage technologies, in particular solid-state configurations with a Li metal anode, opens up the possibility of using cathode materials that do not necessarily contain Li in its as-made state. To accelerate the discovery and design of such materials, we develop a general, chemically, and structurally agnostic methodology for identifying the optimal Li sites in any crystalline material. For a given crystal structure, we attempt multiple Li insertions at symmetrically in-equivalent positions by analyzing the electronic charge density obtained from first-principles density functional theory. In this report, we demonstrate the effectiveness of this procedure in successfully identifying the positions of the Li ion in well-known cathode materials using only the empty host (charged) material as guidance. Furthermore, applying the algorithm to over 2000 candidate cathode empty host materials we obtain statistics of Li site preferences to guide future developments of novel Li-ion cathode materials, particularly for solid-state applications.

25 ENERGY STORAGE↗
DOE OSTI2022

Market-Integrated Optimization of Wind-Battery-Hydrogen Hybrids for Peaking Capacity via Storage

As Integrated Energy Systems (IES) combine multiple energy and storage technologies to provide potentially more value and less risk via resource diversification, complementary overbuild, increased flexibility, and revenue-stacking, IES value is dependent on electricity market dispatch and grid interactions should play an important role in IES design and operation. This study hybridizes and retrofits wind and combustion turbine plants to study the impacts of replacing gas generation capacity with wind, battery, PEM electrolysis, hydrogen tanks and hydrogen turbines. The optimized design is co-simulated in a production cost model with different bidding strategies in order to compare performance and highlight the importance of grid-interactions. We analyze the revenue and dispatch changes as well as the price and cost implications of wind-battery-hydrogen IESs.

electrolysis↗
DOE OSTI2024

Nova Analysis (Final Technical Report)

As the adoption of solar plus storage technology is rapidly increasing, there is a need for a more wholistic view of homes adopting them. In homes, both energy efficiency (EE) upgrades and DERs provide value not just to the homeowner, but to utilities and even society at large through emissions. Traditionally, EE and DERs are separate sectors, which makes it difficult to understand the co-benefits of their adoption. To address this, we created a novel workflow of tools that allows for a complete analysis of both efficiency and DERs. We also looked at a suite of metrics designed to capture the different benefits provided to different stakeholders, demonstrated with multiple sets of field data. A final report demonstrates the potential of the simulation workflow by simulating hundreds of buildings spread across the U.S. and demonstrating how a variety of factors affect the optimal sizing of DERs along with several other key metrics including energy, utility bills, emissions, and average resilience hours.

14 SOLAR ENERGY↗
DOE OSTI2023

Understanding High-Voltage Behavior of Sodium-Ion Battery Cathode Materials Using Synchrotron X-ray and Neutron Techniques: A Review

Despite substantial research efforts in developing high-voltage sodium-ion batteries (SIBs) as high-energy-density alternatives to complement lithium-ion-based energy storage technologies, the lifetime of high-voltage SIBs is still associated with many fundamental scientific questions. In particular, the structure phase transition, oxygen loss, and cathode–electrolyte interphase (CEI) decay are intensely discussed in the field. Synchrotron X-ray and neutron scattering characterization techniques offer unique capabilities for investigating the complex structure and dynamics of high-voltage cathode behavior. In this review, to accelerate the development of stable high-voltage SIBs, we provide a comprehensive and thorough overview of the use of synchrotron X-ray and neutron scattering in studying SIB cathode materials with an emphasis on high-voltage layered transition metal oxide cathodes. We then discuss these characterizations in relation to polyanion-type cathodes, Prussian blue analogues, and organic cathode materials. Finally, future directions of these techniques in high-voltage SIB research are proposed, including CEI studies for polyanion-type cathodes and the extension of neutron scattering techniques, as well as the integration of morphology and phase characterizations.

25 ENERGY STORAGE↗
DOE OSTI2023

Dispatch optimization of electric thermal energy storage within System Advisor Model

A stand-alone electric thermal energy storage (ETES) system converts low-value electricity into heat using resistance heating elements. During periods of high-value electricity, an ETES system uses a thermodynamic power cycle to convert stored thermal energy back to electricity. These dispatchable systems derive value from their ability to store energy when prices are low and generate electricity when prices are favorable, i.e., energy arbitrage. Consequently, dispatch optimization of system operations, through maximizing revenue subject to system constraints, is essential to evaluate the economic value of a particular system design. While stand-alone ETES systems offer potential advantages as dispatchable grid storage technologies, there is a lack of a neutral third-party, publicly available, open-source model to evaluate the performance, dispatch, and financial viability of these systems. To address this problem, we have developed a techno-economic model for stand-alone ETES systems, within National Renewable Energy Laboratory's (NREL's) System Advisor Model (SAM). We implement a mixed-integer linear program to determine an ETES optimal operating schedule that maximizes electricity sales less maintenance costs caused by operation and cycling given temporal-varying grid electricity prices. Our contributions include a mixed-integer linear program for energy arbitrage of an ETES system, an ETES performance model through a publicly-available software (i.e., SAM), and an exercise of our model through case studies that compare ETES operational strategies and annual financial metrics. With our dispatch optimization model, we were able to improve revenue by 20% compared to a myopic heuristic while reducing the operational cost of the ETES system through decreases in cycle starts, cycles per day, and heater starts.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Development of Li–S Battery Cells with High Energy Density and Long Cycling Life

Lithium–sulfur (Li–S) batteries are considered one of the most promising next-generation energy storage technologies for electric vehicles, owing to their high energy density (up to three times greater than current lithium-ion batteries) and the low cost of sulfur (approximately 100 times cheaper than conventional cobalt oxide). However, several challenges hinder their commercial viability, including the electronically and ionically insulating nature of sulfur, polysulfide dissolution, and lithium dendrite growth. These issues significantly limit battery energy density and cycle life and must be addressed to enable successful commercialization. Current strategies involving porous carbon structures, additives, and electrocatalyst engineering have not fully resolved the polysulfide dissolution problem. While polysulfide-free cathode materials offer a promising solution, they often suffer from low sulfur content, leading to reduced discharge capacity and sluggish reaction kinetics. To overcome these limitations, we have developed novel soluble-polysulfide-free sulfur cathode active materials with a high sulfur content (>50 wt%). By integrating these cathodes with functional binders, optimized electrolyte formulations, and refined electrode fabrication techniques, we demonstrate Li–S batteries with both high energy density and long cycle life. This advancement brings the realization of low-cost, high-energy Li–S batteries significantly closer to practical application.

25 ENERGY STORAGE↗
NASA NTRSDate not supplied

Fabricating Solid-State Batteries for Electric Aviation

All-solid-state lithium batteries are widely reputed as the next major step in energy storage technology on account their drastically improved safety over wet cells, as solid electrolytes lack the volatile compounds in wet electrolytes that make them combustible. This enhanced safety enables a far wider range of products and vehicles to go fully electric and aligns with future NASA missions that require high performing, reliable, and safe batteries. However, they currently face issues with implementation in consumer products due to the often-poor mechanical properties of the solid electrolyte and relative difficulty to manufacture. Typical solid-state electrolyte challenges were bypassed by incorporating a range of polymeric binders into a solid electrolyte suspension and cast onto a composite carbon-sulfide cathode to create a single bilayer film. The resulting films display superior flexibility and durability compared to solid-electrolyte films typically discussed in literature without compromising the thinness of the films. The bilayer film was then punched into 12.7 cm diameter discs and 4 cm by 5 cm sheets, pressed, and assembled into coin cells and pouch cells respectively.

Batteries↗
DOE OSTI2023

Realizing High Capacity and Zero Strain in Layered Oxide Cathodes via Lithium Dual-Site Substitution for Sodium-Ion Batteries

Sodium-ion batteries have garnered unprecedented attention as an electrochemical energy storage technology, but it remains challenging to design high-energy-density cathode materials with low structural strain during the dynamic (de)sodiation processes. In this paper, we report a P2-layered lithium dual-site-substituted Na 0.7 Li 0.03 [Mg 0.15 Li 0.07 Mn 0.75 ]O 2 (NMLMO) cathode material, in which Li ions occupy both transition-metal (TM) and alkali-metal (AM) sites. The combination of theoretical calculations and experimental characterizations reveals that Li TM creates Na–O–Li electronic configurations to boost the capacity derived from the oxygen anionic redox, while Li AM serves as LiO 6 prismatic pillars to stabilize the layered structure through suppressing the detrimental phase transitions. As a result, NMLMO delivers a high specific capacity of 266 mAh g –1 and simultaneously exhibits the nearly zero-strain characteristic within a wide voltage range of 1.5–4.6 V. Our findings highlight the effective way of dual-site substitution to break the capacity–stability trade-off in cathode materials for advanced rechargeable batteries.

25 ENERGY STORAGE↗
DOE OSTI2022

Early Failure of Lithium–Sulfur Batteries at Practical Conditions: Crosstalk between Sulfur Cathode and Lithium Anode

Lithium–sulfur (Li–S) batteries are one of the most promising next-generation energy storage technologies due to their high theoretical energy and low cost. However, Li–S cells with practically high energy still suffer from a very limited cycle life with reasons which remain unclear. Here, through cell study under practical conditions, it is proved that an internal short circuit (ISC) is a root cause of early cell failure and is ascribed to the crosstalk between the S cathode and Li anode. The cathode topography affects S reactions through influencing the local resistance and electrolyte distribution, particularly under lean electrolyte conditions. The inhomogeneous reactions of S cathodes are easily mirrored by the Li anodes, resulting in exaggerated localized Li plating/stripping, Li filament formation, and eventually cell ISC. Manipulating cathode topography is proven effective to extend the cell cycle life under practical conditions. The findings of this work shed new light on the electrode design for extending cycle life of high-energy Li–S cells, which are also applicable for other rechargeable Li or metal batteries.

25 ENERGY STORAGE↗
DOE OSTI2020

A Metal Organic Framework Derived Solid Electrolyte for Lithium–Sulfur Batteries

Lithium–sulfur batteries (LSBs) are currently considered as promising candidates for next-generation energy storage technologies. However, their practical application is hindered by the critical issue of the polysulfide-shuttle. Herein, a metal organic framework (MOF)-derived solid electrolyte is presented to address it. The MOF solid electrolyte is developed based on a Universitetet i Oslo (UIO) structure. By grafting a lithium sulfonate (-SO 3 Li) group to the UIO ligand, both the ionic conductivity and the polysulfide-suppression capability of the resulting -SO 3 Li grafted UIO (UIOSLi) solid electrolyte are greatly improved. After integrating a Li-based ionic liquid (Li-IL), lithium bis(trifluoromethanesulfonyl)imide in 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, the resulting Li-IL/UIOSLi solid electrolyte exhibits an ionic conductivity of 3.3 × 10 -4 S cm -1 at room temperature. Based on its unique structure, the Li-IL/UIOSLi solid electrolyte effectively restrains the polysulfide shuttle and suppresses lithium dendritic growth. Lithium–sulfur cells with the Li-IL/UIOSLi solid electrolyte and a Li 2 S 6 catholyte show stable cycling performance that preserves 84% of the initial capacity after 250 cycles with a capacity-fade rate of 0.06% per cycle.

25 ENERGY STORAGE↗
DOE OSTI2023

Novel Structural Motif To Promote Mg-Ion Mobility: Investigating ABO 4 Zircons as Magnesium Intercalation Cathodes

There is an increasing need for sustainable energy storage solutions as fossil fuels are replaced by renewable energy sources. Multivalent batteries, specifically Mg batteries, are one energy storage technology that researchers continue to develop with hopes to surpass the performance of Li-ion batteries. However, the limited energy density and transport properties of Mg cathodes remain critical challenges preventing the realization of high-performance multivalent batteries. In this work, ABO 4 zircon materials (A = Y, Eu and B = V, Cr) are computationally and experimentally evaluated as Mg intercalation cathodes. Remarkably good Mg-ion transport properties were predicted and Mg-ion intercalation was experimentally verified in sol-gel synthesized zircon YVO 4 , EuVO 4 , and EuCrO 4 . Among them, EuVO 4 exhibited the best electrochemical performance and demonstrated repeated reversible cycling. While we believe that the one-dimensional diffusion channels and redox-active species tetragonal coordination limit the value of many zircons as high-performance cathodes, their unique structural motif of overlapping polyhedra along the diffusion pathway appears instrumental for promoting good Mg-ion mobility. The motif results in a favorable "6-5-4" change in coordination that avoids unfavorable sites with lower coordination along the diffusion pathway and a structural design metric for future Mg cathode development.

25 ENERGY STORAGE↗