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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
All sourcesNASA NTRSDOE OSTI
NASA NTRS1986

Safety considerations for fabricating lithium battery packs

Lithium cell safety is a major issue with both manufacturers and end users. Most manufacturers have taken great strides to develop the safest cells possible while still maintaining performance characteristics. The combining of lithium cells for higher voltages, currents, and capacities requires the fabricator of lithium battery packs to be knowledgable about the specific electrochemical system being used. Relatively high rate, spirally wound (large surface area) sulfur oxychloride cells systems, such as Li/Thionyl or Sulfuryl chloride are considered. Prior to the start of a design of a battery pack, a review of the characterization studies for the cells should be conducted. The approach for fabricating a battery pack might vary with cell size.

Ciesla, J. J.↗
NASA NTRS1993

Determination of trace elements in triglycine sulfate solutions

Ten elements were divided into 2 groups. The elements in the first group included iron, nickel, chromium, manganese, copper, and gold. The elements in the second group included zinc, cobalt, lead, cadmium, and gold. Five ppm of each element in each group was spiked in a 1 percent triglycine sulfate (TGS) solution. Glycine was removed with 1-naphthyl isocyanate in ether medium. The glycine derivative 1-naphthyl isocyanate glycine was removed by filtration, and the filtrates were analyzed for the different elements. Analysis of these elements was performed by using the 5100 Perkin-Elmer Atomic Absorption Spectrophotometer. The result of these experiments was the observation that there was a decrease in the concentration of chromium and gold, which was interpreted to be due to the chelation of these elements by the derivative 1-naphthyl isocyanate glycine. Further research is needed to determine the concentration of other elements in triglycine sulfate (TGS) solutions. These elements will include lithium, sodium, rubidium, magnesium, calcium, strontium, barium, aluminum, and silicon. These are the most likely elements to be found in the sulfuric acid used in manufacturing the TGS crystal. Moreover, we will extend our research to investigate the structural formula of the violet colored chelated compounds, which had been formed by interaction of the derivative 1-naphthyl isocyanate glycine with the different elements, such as gold, chromium.

Tadros, Shawky H.↗
DOE OSTI2020

Highly Active Rhenium-, Ruthenium-, and Iridium-Based Dichalcogenide Electrocatalysts for Oxygen Reduction and Oxygen Evolution Reactions in Aprotic Media

Transition metal dichalcogenides (TMDCs) have garnered much attention recently due to their remarkable performance for different electrochemical systems. In this study, we report on the synthesis and catalysis of less studied TMDC nanoflakes (NFs) with a design space comprised of three transition metals (rhenium, ruthenium, and iridium) and three chalcogens (sulfur, selenium, and tellurium) for the oxygen reduction and evolution reactions (ORR and OER) in an aprotic hybrid electrolyte containing 0.1 M lithium bis(trifluoromethanesulfonypimide salt in 1-ethyl-3-methylimidazolium tetrafluoroborate ionic liquid and dimethyl sulfoxide. Our results indicate that among the tested catalysts, ReS2 exhibits the highest current density for both ORR and OER, beyond those of the state-of-the-art catalysts used in aprotic media with Li salts. We performed density functional calculations to provide a mechanistic understanding of the reactions in the ReS2 NFs/ionic liquid system. These novel bifunctional catalyst results could open a way for exploiting the unique properties of these materials in Li-O-2 batteries as well as other important electrochemical systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Tailorable Cellulose II Nanocrystals (CNC II) Prepared in Mildly Acidic Lithium Bromide Trihydrate (MALBTH)

Preparing cellulose II nanocrystals (CNC II) requires a polymorph transformation of natural cellulose I feedstocks. The transformation is usually achieved via a process such as mercerization or dissolution–regeneration. This study demonstrated a new method to prepare CNC II directly from bleached kraft pulp (BKP, a commercially available cellulose I feedstock) in a mildly acidic lithium bromide trihydrate (MALBTH) system, a concentrated (~61 wt%) solution of LiBr in water with a very low concentration (2.5 mM) of sulfuric acid. First, the BKP was treated in the MALBTH system to generate a cellulose II hydrolysis solid residue (CHR) with a yield of 64–86%, during which the selective hydrolysis of disordered cellulose and the polymorph transformation were completed simultaneously. Then, subsequent oxidation of the CHR by ammonium persulfate (APS, 0.1–0.6 M) resulted in the CNC II with high yield (up to 62%), high crystallinity (over 90%), rich surface carboxyl group (0.3–1.2 mmol g-1 cellulose), excellent colloidal stability (up to -59 mV zeta potential), and high thermal stability. The CNC II had a tunable length (26–57 nm), determined by the conditions of the MALBTH hydrolysis and the APS oxidation, but similar lateral dimension (8–10 nm). The characterization of the CHR by wide-angle X-ray diffraction and Fourier transform infrared spectroscopy verified the polymorphic transformation from cellulose I to II during the MALBTH treatment. The swelling of the BKP in the MALBTH enabled cellulose crystallites to slide and reassemble, which completed the rearrangement of cellulose chains from parallel to anti-parallel conformation (polymorph transformation from cellulose I to II). This study provided an efficient and green method to produce cellulose II nanocrystals with controllable aspect ratios via the simultaneous hydrolysis and polymorph transformation of cellulose I feedstocks.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2025

Deciphering volume changes in Li-S solid-state battery components during cycling: Implication for advanced battery design

Here, in this work, we developed custom fixtures to investigate the mechanical and electrochemical behavior of all-solid-state lithium batteries during cycling under constant pressure and constant volume conditions. We successfully monitored vertical displacements during constant pressure cycling and pressure variations during constant volume cycling, allowing us decouple volume changes in the sulfur, Li 2 S cathodes, LixIn anode, and solid-state electrolyte. Scanning electron microscopy and electrochemical impedance spectroscopy confirmed that two structural changes occur during ASSLB cycling: (1) irreversible fractures in the active material particles, and (2) void formation within the electrode matrix. While the fractures in primary particles are permanent, void formation can be mitigated through stack pressure, which promotes particle rearrangement in the electrode matrix. Our findings emphasize the importance of stack pressure in maintaining the microscale integrity of all-solid-state lithium batteries, preventing void formation and enhance battery performance and durability.

Cell Design↗
DOE OSTI2023

Suppressing Universal Cathode Crossover in High‐Energy Lithium Metal Batteries via a Versatile Interlayer Design**

Abstract The universal cathode crossover such as chemical and oxygen has been significantly overlooked in lithium metal batteries using high‐energy cathodes which leads to severe capacity degradation and raises serious safety concerns. Herein, a versatile and thin (≈25 μm) interlayer composed of multifunctional active sites was developed to simultaneously regulate the Li deposition process and suppress the cathode crossover. The as‐induced dual‐gradient solid‐electrolyte interphase combined with abundant lithiophilic sites enable stable Li stripping/plating process even under high current density of 10 mA cm −2 . Moreover, X‐ray photoelectron spectroscopy and synchrotron X‐ray experiments revealed that N‐rich framework and CoZn dual active sites can effectively mitigate the undesired cathode crossover, hence significantly minimizing Li corrosion. Therefore, assembled lithium metal cells using various high‐energy cathode materials including LiNi 0.7 Mn 0.2 Co 0.1 O 2 , Li 1.2 Co 0.1 Mn 0.55 Ni 0.15 O 2 , and sulfur demonstrate significantly improved cycling stability with high cathode loading.

Xie, Chuyi↗
DOE OSTI2023

Suppressing Universal Cathode Crossover in High‐Energy Lithium Metal Batteries via a Versatile Interlayer Design**

Abstract The universal cathode crossover such as chemical and oxygen has been significantly overlooked in lithium metal batteries using high‐energy cathodes which leads to severe capacity degradation and raises serious safety concerns. Herein, a versatile and thin (≈25 μm) interlayer composed of multifunctional active sites was developed to simultaneously regulate the Li deposition process and suppress the cathode crossover. The as‐induced dual‐gradient solid‐electrolyte interphase combined with abundant lithiophilic sites enable stable Li stripping/plating process even under high current density of 10 mA cm −2 . Moreover, X‐ray photoelectron spectroscopy and synchrotron X‐ray experiments revealed that N‐rich framework and CoZn dual active sites can effectively mitigate the undesired cathode crossover, hence significantly minimizing Li corrosion. Therefore, assembled lithium metal cells using various high‐energy cathode materials including LiNi 0.7 Mn 0.2 Co 0.1 O 2 , Li 1.2 Co 0.1 Mn 0.55 Ni 0.15 O 2 , and sulfur demonstrate significantly improved cycling stability with high cathode loading.

25 ENERGY STORAGE↗
DOE OSTI2026

Liquified SO 2 induced solid/cathode electrolyte interphase for lithium ion batteries

Formation of robust solid/cathode electrolyte interphases (S/CEI) is vital for long-term stability and high-performance operation of lithium-ion batteries (LIBs), particularly under high voltage regimes. However, engineering electrochemically stable S/CEIs that effectively suppress interfacial side reactions remains a key challenge. Herein, we introduce a liquefied sulfur dioxide (SO 2 )– ionic liquid complex as a fluorine-free multifunctional electrolyte additive for the first time that significantly improves the formation of sulfate/sulfite-rich S/CEI layers at both graphite and NMC811 interfaces. The unique SO 2 -N coordination with a 1,2,4-triazolide-based ionic liquid enables homogeneous SO 2 dissolution, resulting in controlled SO 2 decomposition during the initial electrochemical cycle. This decomposition yields sulfur-rich interphase species that stabilize the electrolyte-electrode interface, reduce impedance growth, and lessen electrolyte decomposition. Electrochemical tests show significantly improved cycle life, reduced polarization, and increased Coulombic efficiency for both anodes and cathodes. XPS confirms the presence of SO 2 -derived surface species that contribute to interfacial stability. In conclusion, this approach highlights a new direction for interphase engineering using liquefied gas additives and opens pathways for sulfur-based S/CEI chemistry in advanced battery systems.

Graphite↗
DOE OSTI2025

Addressing the Safety of Next-Generation Batteries

Owing to increasing demand for low-cost energy storage with secure material supply chains, the battery community is approaching a pivotal shift beyond conventional lithium-ion (Li-ion) towards next-generation cells. Technologies that include alkali-metal anodes, solid electrolytes and earth-abundant materials such as sodium (Na) and sulfur (S) are reaching commercialization in cells. The abuse tolerance and thermal runaway hazards of such technologies diverge from conventional Li-ion cells. Consequently, designing safe batteries with next-generation materials requires a holistic approach to characterize cells and to understand their responses to abuse conditions from the beginning to the end of life. Here we provide a Perspective on how the safety and abuse tolerance of cells are likely to change for up-and-coming technologies; challenges and opportunities for reimagining safe cell and battery designs; gaps in our knowledge; capabilities for understanding the hazards of thermal runaway and how to address them; how standard abuse tests may need to adapt to new challenges; and how research needs to support affected professionals, from pack designers to first responders, to manage hazards and ensure safe roll-out of next-generation cells into applications like electric vehicles (EVs). Finally, given the large number of next-generation technologies being explored, we encourage giving priority to safety-focused research in proportion to the rate of manufacturing scale-up of each specific technology.

25 ENERGY STORAGE↗
DOE OSTI2021

Mixed Cationic and Anionic Redox in Ni and Co Free Chalcogen-Based Cathode Chemistry for Li-Ion Batteries

Mixed cationic and anionic redox cathode chemistry is emerging as conventional cationic-redox of transition metal based layered oxides are reaching their theoretical capacity limit. However, these anionic redox in transition metal oxide-based cathodes attained by taking excess lithium has resulted in stability issues due to weak metal - oxygen ligand covalency. Here, we present an alternative approach of improving metal - ligand covalency by introducing less electronegative chalcogen ligand (sulfur) in the cathode structural framework where the metal dband penetration into ligand p-band thereby utilizing reversible mixed anionic and cationic redox chemistry. Through this design strategy, we report possibility of developing a new family of layered cathode materials when partially filled d orbital redox couples like Fe 2+/3+ are introduced in the Li-ion conducting phase (Li 2 SnS 3 ). Further, the electron energy loss spectroscopy (EELS) and X-ray absorption near-edge structure (XANES) analysis are used to qualitatively identify the charge contributors at the metal and ligand sites during Li + extraction. The detailed high-resolution transmission electron microscopy (HR-TEM) and high annular dark field-scanning transmission electron microscopy (HAADF-STEM) investigation reveal the multi redox induced structural modifications and its surface amorphization with nanopore formation during cycling. Findings from this study will shed light on designing Ni and Co free chalcogen cathodes and various functional materials in the chalcogen based dual anionic and cationic redox cathode avenue.

25 ENERGY STORAGE↗
DOE OSTI2021

Method of protecting sulfur cathode materials for alkali metal-sulfur secondary battery

Provided is a method of producing a rechargeable alkali metal-sulfur cell, comprising: (a) providing an anode layer; (b) providing particulates comprising primary particles of a sulfur-containing material encapsulated or embraced by a thin layer of a conductive sulfonated elastomer composite, wherein the conductive sulfonated elastomer composite comprises from 0% to 50% by weight of a conductive reinforcement material dispersed in a sulfonated elastomeric matrix material, and the conductive sulfonated elastomer composite has a thickness from 1 nm to 10 μm, a fully recoverable tensile strain from 2% to 500%, a lithium ion conductivity from 10−7 S/cm to 5×10−2 S/cm, and an electrical conductivity from 10−7 S/cm to 100 S/cm; (c) forming the particulates, a resin binder, and an optional conductive additive into a cathode layer; and (d) combining the anode layer, the cathode layer, an optional porous separator, and an electrolyte to form the alkali metal-sulfur cell.

Zhamu, Aruna↗
DOE OSTI2026

Ionic-Based Electrochemical Gas Sensors for Low-Cost, High-Sensitivity SO2 Detection

Sulfur dioxide (SO2) is a toxic gas associated with adverse health and environmental effects that necessitate reliable monitoring techniques. Here, we report the development of an all-solid-state electrochemical sensor utilizing a lithium borate (Li3BO3) solid electrolyte capable of subppm of SO2 detection. While subppm of SO2 sensing has been previously demonstrated in other solid-state electrolyte systems─such as stabilized zirconia, natrium super ionic conductors (NASICON) under mixed-potential conditions─here we establish Li3BO3 as an alternative solid electrolyte enabling equilibrium potentiometric sensing in an all-solid architecture. This sensor demonstrates a detection limit of at least 0.25 ppm, surpassing the human-olfactory threshold and meeting the rigorous requirements for industrial and personal monitoring applications. The sensing mechanism relies on the formation of Li2SO4 on the electrode surface, as evidenced by multimodal characterization techniques, including Raman spectroscopy, scanning electron microscopy (SEM), and scanning transmission electron microscopy (STEM). The strong linear correlation between the open-circuit potential (OCV) and the logarithm of SO2 concentration between 0.25 and 2 ppm indicates that the response is Nernstian in nature.

Lagunas, Francisco (ORCID:000000026377683X)↗
DOE OSTI2023

Li 2 GeS 3 : Lithium Ionic Conductor with an Unprecedented Structural Type

Lithium-ion batteries (LIBs) are widely used in electric vehicles, mobile electronic devices, and large-scale stationary energy storage systems. However, their liquid electrolytes present significant safety concerns due to their inherent flammability. To address this, the focus has shifted toward all-solid-state batteries (ASSBs) utilizing inorganic solid electrolytes that promise enhanced safety. In this work, we report the discovery of a new crystal structural type of Li-ion conductor, Li 2 GeS 3 , with a unique structure, synthesized by a solid-state reaction from Li 2 S and GeS 2 . It was first reported in 2000 with an orthorhombic unit cell, but its detailed crystal structure remains veiled. Here, we have unveiled its structure for the first time, employing an ab initio structure determination technique from powder X-ray and time-of-flight neutron diffraction data. The compound has an unprecedented crystal structural type with a hexagonal $P6_1$ symmetry and a unit cell of α = 6.79364(4) Å and c = 17.90724(14) Å. Its structure is comprised of a distorted hexagonal close-packed arrangement of sulfur anions with three asymmetric metal atoms: Li1, Li2, and Ge are in tetrahedral cavities surrounded by sulfur atoms. The ionic conductivity of Li 2 GeS 3 was measured to be 1.63 × 10 –8 S cm –1 at 303 K and 2.45 × 10 –7 S cm –1 at 383 K. Bond valence energy landscape calculations revealed three-dimensional lithium diffusion pathways within the structure. This novel crystal structure in Li 2 GeS 3 holds the potential for developing high-performance ionic conductors through suitable chemical substitution and offers valuable insights into designing new ionic conductors for ASSBs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1992

High-Quality TiS2 For Li/TiS2 Cells

Modified process for synthesis of battery-grade titanium sulfide (TiS2) yields substantially improved material for Li/TiS2 electrochemical cells. Includes all-vapor-phase reaction between sulfur and titanium. Product less dense and more homogeneous, consists of smaller particles of higher crystalline quality, and purer. Cells have high cathode utilization and long cycle life performance. Expected to find applications in rechargeable lithium batteries for spacecraft, military equipment, telecommunication systems, automobiles, and consumer products.

Huang, Chen-Kuo↗
DOE OSTI2024

Enabling High Stability of Co-Free LiNiO 2 Cathode via a Sulfide-Enriched Cathode Electrolyte Interface

Cobalt-free lithium nickel oxide (LNO) has garnered significant interest as the end member of high-nickel layered oxide cathodes for next-generation batteries. However, its practical performance notably underperforms expectations because of the structural degradation and unstable interfacial chemistry with electrolytes during cycling. Here, in this study, we report that a durable cathode-electrolyte interface (CEI), enriched by in situ formed sulfides and borides, can inhibit LNO structural degradation and suppress Ni ion dissolution. With the CEI protection, the stability of LNO can be remarkably extended, and batteries demonstrate a capacity retention rate of 84% (30 °C) and 79% (50 °C) after 200 cycles at 1C, respectively. These results demonstrate that enriching CEI with sulfur-containing species can effectively stabilize the interfacial chemistry of LNO, particularly at an elevated temperature of 50 °C. This finding provides valuable perspectives on designing electrolytes for cobalt-free LNO and other high-Ni cathodes toward the development of next-generation high-energy-density lithium-ion batteries.

25 ENERGY STORAGE↗
DOE OSTI2019

Improved Oxygen Reduction Reaction Activity of Nanostructured CoS 2 through Electrochemical Tuning

Searching for efficient Pt-free oxygen reduction reaction (ORR) electrocatalysts has been actively pursued among the current electrocatalyst research community. The family of transition-metal chalcogenides, especially cobalt disulfide (CoS 2 ), has been reported as competitive ORR catalysts. In this work, we perform a detailed analysis of the intrinsic activity in terms of onset potentials and selectivity toward hydrogen peroxide of CoS 2 in both acid and alkaline medium. Our detailed characterizations of this system via X-ray powder diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and calculated bulk and surface thermodynamics and ORR mechanism reveal pH-dependent electrochemical evolution of the CoS 2 surfaces. Using XPS results before and after ORR in combination with density functional theory (DFT) calculations for individual surfaces reveals sulfur to oxygen substitution, and partial dissolution occurs in acidic media, while thin cobalt oxide films supported by CoS 2 are formed in alkaline media. The comprehensive DFT calculations of the ORR activities on these systems reveal that sulfur is an unlikely ORR active site, while undercoordinated Co metal site in the CoS 2 is less active than very active undercoordinated Co metal site in the Co oxide film. Using these guiding principles, we then demonstrate that electrochemical lithium (Li) tuning of CoS 2 in organic electrolyte increases its ORR performance in both acid and alkaline medium. Detailed characterizations demonstrate that the grain size of CoS 2 particle is considerably reduced and has a much richer surface oxygen content after electrochemical Li tuning (LiET-CoS 2 ) as the direct consequence of the Li galvanostatic cycling. The general efficacy of this method toward transition-metal chalcogenides (T-M-X) is further demonstrated by enhanced ORR activities of CoS and Ni 3 S 2 in alkaline and neutral medium, respectively. This work opens up an opportunity for probing more advanced T-M-X-based catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗