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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

THESEUS: A techno-economic design, integration and downselection framework for energy storage

Optimal selection of energy storage technologies is critical to ensure reliable integration of intermittent and often uncertain renewable energy in electricity grids. The consideration of a diverse set of energy storage technologies is required for a more sustainable deployment of energy storage. We present THESEUS (TecHno-Economic framework for Systematic Energy storage Utilization and downSelection), which is a comprehensive framework for the optimal selection, design and operation of energy storage systems. THESEUS includes rigorous models of major energy storage technologies at different maturity levels, such as thermal storage using phase-change materials or molten salt, cryogenic storage, mechanical storage in the form of compressed air and pumped hydro storage, chemical storage using hydrogen, and electrochemical storage in the form of lithium-ion, sodium sulfur and vanadium flow batteries. An illustrative case study on state-wide prospective energy storage shows that storage integration with fossil power plants could reduce the cost of meeting the grid energy demand by 20%, with mechanical storage as the best suited technology. Although high-temperature thermal storage has low storage efficiency, it is optimal for integration with renewable energy plants. In addition, Li-ion batteries are optimal for high ramping but low storage duration requirements. Furthermore, such insights can enable the deployment of both existing and emerging energy storage technologies to facilitate a smooth transition to a clean energy future.

25 ENERGY STORAGE↗
DOE OSTI2024

Sulfur Solutions: Advancing High Voltage and High Energy Lithium Batteries with Organosulfur Electrolytes

Achieving energy densities exceeding 350 Wh kg -1 while operating at elevated voltages (>4.5 V vs Li/Li + ) is attainable through judicious selection of electrochemical pairs at the cathode and anode. However, current state-of-the-art electrolytes exhibit limited stability when exposed to systems operating at or above 4.3 V. This limitation contributes to the degradation of electrode materials and raises critical safety concerns, impeding the commercialization of such systems. Consequently, there has been a notable surge in research efforts aimed at developing innovative electrolyte compositions capable of supporting high-voltage lithium-ion batteries (LIBs). A substantial portion of this research has focused on the family of organosulfur molecules, which possess high oxidative stability. Organosulfur salts also facilitate the formation of dense, ionically conductive solid electrolyte interfaces (SEI) and demonstrate excellent solubility. This article provides a comprehensive overview of the field of organosulfur electrolyte components for their applications in energy storage, encompassing solvents, alternative conducting salts, and additives. It emphasizes the idea that the deliberate design of electrolyte compositions is instrumental in controlling electrode passivation, with organosulfur-based structures historically proving advantageous in every aspect of the electrolyte. Crucially, it should be noted that many of these components are commercially available, holding significant implications for industrial applications.

25 ENERGY STORAGE↗
DOE OSTI2022

Review of Multifunctional Separators: Stabilizing the Cathode and the Anode for Alkali (Li, Na, and K) Metal–Sulfur and Selenium Batteries

Alkali metal batteries based on lithium, sodium, and potassium anodes and sulfur-based cathodes are regarded as key for next-generation energy storage due to their high theoretical energy and potential cost effectiveness. However, metal–sulfur batteries remain challenged by several factors, including polysulfides’ (PSs) dissolution, sluggish sulfur redox kinetics at the cathode, and metallic dendrite growth at the anode. Functional separators and interlayers are an innovative approach to remedying these drawbacks. Here we critically review the state-of-the-art in separators/interlayers for cathode and anode protection, covering the Li–S and the emerging Na–S and K–S systems. The approaches for improving electrochemical performance may be categorized as one or a combination of the following: Immobilization of polysulfides (cathode); catalyzing sulfur redox kinetics (cathode); introduction of protective layers to serve as an artificial solid electrolyte interphase (SEI) (anode); and combined improvement in electrolyte wetting and homogenization of ion flux (anode and cathode). It is demonstrated that while the advances in Li–S are relatively mature, less progress has been made with Na–S and K–S due to the more challenging redox chemistry at the cathode and increased electrochemical instability at the anode. Throughout these sections there is a complementary discussion of functional separators for emerging alkali metal systems based on metal–selenium and the metal–selenium sulfide. The focus then shifts to interlayers and artificial SEI/cathode electrolyte interphase (CEI) layers employed to stabilize solid-state electrolytes (SSEs) in metal–sulfur solid-state batteries (SSBs). The discussion of SSEs focuses on inorganic electrolytes based on Li- and Na-based oxides and sulfides but also touches on some hybrid systems with an inorganic matrix and a minority polymer phase. The review then moves to practical considerations for functional separators, including scaleup issues and Li–S technoeconomics. The review concludes with an outlook section, where we discuss emerging mechanics, spectroscopy, and advanced electron microscopy (e.g. cryo-transmission electron microscopy (cryo-TEM) and cryo-focused ion beam (cryo-FIB))-based approaches for analysis of functional separator structure–battery electrochemical performance interrelations. Finally, throughout the review we identify the outstanding open scientific and technological questions while providing recommendations for future research topics.

25 ENERGY STORAGE↗
DOE OSTI2023

Simulated sulfur K-edge X-ray absorption spectroscopy database of lithium thiophosphate solid electrolytes

X-ray absorption spectroscopy (XAS) is a premier technique for materials characterization, providing key information about the local chemical environment of the absorber atom. In this work, we develop a database of sulfur K-edge XAS spectra of crystalline and amorphous lithium thiophosphate materials based on the atomic structures reported in Chem. Mater., 34, 6702 (2022). The XAS database is based on simulations using the excited electron and core-hole pseudopotential approach implemented in the Vienna Ab initio Simulation Package. Our database contains 2681 S K-edge XAS spectra for 66 crystalline and glassy structure models, making it the largest collection of first-principles computational XAS spectra for glass/ceramic lithium thiophosphates to date. This database can be used to correlate S spectral features with distinct S species based on their local coordination and short-range ordering in sulfide-based solid electrolytes. The data is openly distributed via the Materials Cloud, allowing researchers to access it for free and use it for further analysis, such as spectral fingerprinting, matching with experiments, and developing machine learning models.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Molten fluid apparatus with solid non-brittle electrolyte

A battery includes a fluid negative electrode and a fluid positive electrode separated by a solid electrolyte at least when the electrodes and electrolyte are at an operating temperature. The solid electrolyte includes ions of the negative electrode material forming the fluid negative electrode and has a softness less than beta-alumina solid electrolyte (BASE) ceramics. In one example, the fluid negative electrode comprises lithium (Li), the fluid positive electrode comprises sulfur (S) and the solid electrolyte comprises lithium iodide (LiI).

Vissers, Daniel R.↗
DOE OSTI2024

Molten fluid apparatus with solid non-brittle electrolyte

A battery includes a fluid negative electrode and a fluid positive electrode separated by a solid electrolyte at least when the electrodes and electrolyte are at an operating temperature. The solid electrolyte comprises a salt formed by ions of the negative electrode material forming the fluid negative electrode. In one example, the fluid negative electrode comprises lithium (Li), the fluid positive electrode comprises sulfur (S) and the solid electrolyte comprises lithium iodide (LiI).

Vissers, Daniel R.↗
NASA NTRS1981

Safety testing of lithium cells

The testing consisted of a forced discharge to zero volts constant current under isothermal conditions. The temperature range was -40 to 65 C. Short circuit tests, drop tests, and puncture tests were run to determine how a cell might behave if it developed a leak. Once the sulfur dioxide is exhausted, a lithium acetontirile reaction occurs. An excess of sulfur dioxide must be maintained in order to avoid chemical explosions.

Bene, J.↗
DOE OSTI2022

Dual Passivation of Cathode and Anode through Electrode–Electrolyte Interface Engineering Enables Long-Lifespan Li Metal–SPAN Batteries

The reliability and durability of lithium metal (Li 0 )–sulfur batteries are largely limited by the undesired Li 0 plating-stripping irreversibility and the detrimental polysulfide dissolution, yet approaches that can simultaneously address the above anodic and cathodic problems are scarce. In this study, we report the stable operation of a Li 0 -SPAN (sulfurized polyacrylonitrile) battery via an anode–cathode dual-passivation approach. By combination of a fluorinated localized high concentration electrolyte (LHCE) and a Li 3 N-forming additive (TMS-N 3 ), robust and highly conductive electrode passivation layers are formed in situ on the surface of both the Li 0 anode and the SPAN cathode. The resulting highly reversible, dendrite-free, and high-density Li 0 plating morphology enables a high Coulombic efficiency of 99.4%. Advanced tender energy X-ray spectroscopy also reveals the eliminated Li 2 S formation and minimized polysulfide dissolution in SPAN cathodes, leading to a high capacity of 580 mAh/g SPAN and stable cycling with negligible capacity decay (0.7%) for 800 cycles. This electrode–electrolyte interphase engineering strategy has tackled the major limitations of Li–S batteries in both ether- and carbonate-based electrolyte systems and under a wide temperature range from –10 to +50 °C, thus providing insightful guidelines for the rational design of highly durable and high-energy-density Li 0 -S batteries.

25 ENERGY STORAGE↗
DOE OSTI2023

Sulfur Polymers as Flexible Interfacial Additives for Low Stack-Pressure Solid-State Lithium-Ion Batteries

Solid-state batteries (SSBs) fabricated using sulfide solid electrolytes (SSEs) typically require cell stack-pressures in the range of tens to hundreds of megapascals to maintain effective interfacial contact and lithium-ion mobility across the full cell stack. These relatively high cell stack-pressures necessarily require additional cell components that reduce the delivered volumetric and gravimetric capacities of SSBs. This work has developed a novel sulfur polymer (polyS) that improves lithium-ion conductivity in SSBs at low cell stack-pressures, thereby directly targeting this technological limitation. Specifically, this work shows that polyS can be combined with the argyrodite Li6PS5Cl (LPSC) to form a stable composite SSE. By combining LPSC particles with a flexible additive that enhances interfacial contact at low pressures, this new polyS LPSC composite SSE material greatly improves ionic conductivity at cell stack-pressures below 2.0 MPa in comparison to conventional LPSC composites. Furthermore, this polyS LPSC composite can be used to fabricate a full SSB that cycles reversibly at only 1.6 MPa. Finally, this composite SSE exhibits self-healing behavior when combined with a lithium metal electrode, wherein lithium dendrites are oxidized to form passivating Li2S species that recover the cell from shorting.

ENERGY STORAGE↗
DOE OSTI2022

Crossover Effects in Lithium–Metal Batteries with a Localized High Concentration Electrolyte and High–Nickel Cathodes

While crossover effects, such as transition–metal dissolution, are well–understood in lithium–ion batteries, there is a limited understanding of the effect of crossed–over chemical species in cells with oxide cathodes and lithium–metal anodes. In this work, the effects of cathode–to–anode and anode–to–cathode crossover are explored in cells with a high–nickel cathode, lithium–metal anode, and a localized high–concentration electrolyte (LHCE). Dramatic differences are found among cells; a lithium–metal anode paired with a high–nickel cathode has three times less solid–electrolyte interphase growth than a lithium–metal anode paired with lithium metal. Meanwhile, the cathode paired with lithium metal has 2–3 times higher capacity fade than the same cathode paired with graphite. Decomposition and crossover of the FSI salt is identified as the main source of these changes. The fluorine in the salt is first stripped off at the lithium–metal anode, and the remaining sulfur and nitrogen cross over to the cathode. Although the reduction in fluorine content harms the surface stability of the cathode, the lithium–metal anode benefits from the increased fluorine content. Furthermore, because the lithium–metal anode is typically the bottleneck for cells with thin lithium, crossover is a major factor in the enhanced performance of lithium–metal batteries with LHCE.

25 ENERGY STORAGE↗
DOE OSTI2025

Advanced All-Fluorinated Electrolytes for Extended Cycle Life and Stability of Li||SPAN Batteries

Achieving long-term stability and consistent capacity in lithium (Li) metal batteries with sulfurized polyacrylonitrile (SPAN) cathodes requires precisely engineered electrolytes to optimize interphase formation and redox reversibility. Here, this study presents 1,1-difluoro-2-(2-methoxyethoxy)ethane (DFE)-based localized high-concentration electrolytes (LHCEs), incorporating fluorinated components such as salt, solvating solvent, and diluent for improved electrode stability. Molecular dynamics simulations and surface analyses reveal that the DFE-LHCE with 1,2-bis(1,1,2,2-tetrafluoroethoxy)ethane (BTFEE) diluent produces uniform and robust interphase layers on both cathode and anode, enriched with inorganic species like LiF and Li 2 O. These properties lead to prolonged redox reversibility of the SPAN cathode, suppressed side reactions, and extended cycle life for Li||SPAN cells. Remarkably, DFE-BTFEE-LHCE enables Li||SPAN coin cells with an areal capacity of ∼7 mAh cm -2 for SPAN to retain 81.3% capacity after 200 cycles and pouch cells of 0.12 Ah with 8 mAh cm -2 of SPAN and lean electrolyte to maintain 96.4% capacity over 80 cycles. These findings pave the way for advancing Li||SPAN battery technologies.

25 ENERGY STORAGE↗
NASA NTRS1990

Performance of a hybrid chemical/mechanical heat pump

The authors present the design and preliminary results of the performance of a hybrid chemical/mechanical, low-lift (20 C) heat pump. Studies have indicated that this heat pump has several advantages over the traditional single fluid vapor compression (reverse Rankine) heat pump. Included in these benefits are: 1) increased COPc due to the approximation of the cycle to the Lorenz cycle and due to the availability of the heat of solution, along with the heat of vaporization, to provide cooling; and 2) ease of variation in system cooling capacity by changing the fluid composition. The system performance is predicted for a variety of refrigerant-absorbent pairs. Cooling capacity is determined for systems operating with ammonia as the refrigerant and lithium nitrate and sodium thiocyanate as the absorbents and also with water as the refrigerant and magnesium chloride, potassium hydroxide, lithium bromide, sodium hydroxide, and sulfuric acid as the absorbents. Early indications have shown that the systems operating with water as the refrigerant operate at 2-4 times the capacity of the ammonia-refrigerant-based systems. Using existing working fluids in the proposed innovative design, a coefficient-of-performance improvement of 21 percent is possible when compared to the best vapor compression systems analyzed.

Silvestri, John J.↗
DOE OSTI2020

Yolk-shell nanoparticle, method and applications

A nanoparticle and a method for fabricating the nanoparticle utilize a decomposable material yoke located within permeable organic polymer material shell and separated from the permeable organic polymer material shell by a void space. When the decomposable material yoke comprises a sulfur material and the permeable organic polymer material shell comprises a material permeable to both a sulfur material vapor and a lithium ion within a battery electrolyte the nanoparticle may be used within an electrode for a Li/S battery absent the negative effects of battery electrode materials expansion.

25 ENERGY STORAGE↗
DOE OSTI2021

Yolk-shell nanoparticle, method and applications

A nanoparticle and a method for fabricating the nanoparticle utilize a decomposable material yoke located within permeable organic polymer material shell and separated from the permeable organic polymer material shell by a void space. When the decomposable material yoke comprises a sulfur material and the permeable organic polymer material shell comprises a material permeable to both a sulfur material vapor and a lithium ion within a battery electrolyte the nanoparticle may be used within an electrode for a Li/S battery absent the negative effects of battery electrode materials expansion.

Yu, Yu↗
DOE OSTI2022

Yolk-shell nanoparticle, method and applications

A nanoparticle and a method for fabricating the nanoparticle utilize a decomposable material yoke located within permeable organic polymer material shell and separated from the permeable organic polymer material shell by a void space. When the decomposable material yoke comprises a sulfur material and the permeable organic polymer material shell comprises a material permeable to both a sulfur material vapor and a lithium ion within a battery electrolyte the nanoparticle may be used within an electrode for a Li/S battery absent the negative effects of battery electrode materials expansion.

25 ENERGY STORAGE↗