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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 19 records

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NASA NTRS1988

Electrochemical stability of LiMF6 (M = P, As, Sb) in tetrahydrofuran and sulfolane

The electrochemical stability of LiSbF6 and LiPF6 in aprotic organic solvents has been investigated. Electrochemical studies, conductivity measurements, and open-circuit stability tests were conducted on LiSbF6 in tetrahydrofuran and sulfolane. Cyclic voltammetric studies of SbF6(-) were compared with those of AsF6(-) and PF6(-) anions. Sb(V) was reduced to Sb(III), and then to Sb(0). AsF6(-) was reduced to AsF3, while no reduction of PF6(-) was observed. The reduction products of AsF6(-) and SbF6(-) passivated the glassy carbon electrode, presumably due to LiF precipitation. Peak potentials were observed to shift in the positive direction as a function of concentration. This was accounted for on the basis of a follow-up chemical reaction.

Nanjundiah, C.↗

NASA NTRSDate not supplied

A materials-informatics based study of solid electrolytes and protective coatings for Li batteries

All-solid-state batteries with Li metal anode can address the safety issues surrounding traditional Li-ion batteries as well as the demand for higher energy densities. However, the development of solid electrolytes and protective coatings simultaneously possessing high ionic conductivity and wide electrochemical stability has proven to be a challenge. Here, we present a data-driven approach to explore the Li compound space for promising solid electrolytes and coatings. This is accomplished through the generation of a large database of battery-related materials properties of Li compounds by computing Li+ migration barriers using bond-valence-based pair potentials, and stability windows using density functional theory energies. Using this database, we implement machine learning models that can accurately predict migration barriers and electrochemical stability windows for any new Li compound. Through feature engineering, we ensure that our models are both accurate and interpretable. We perform feature importance analysis on our models to highlight materials properties that can be tuned for future design of coatings/electrolytes. Our database and informatics approach provide a valuable tool for the rapid discovery of new solid-state battery chemistries.

Solid state batteries↗

NASA NTRS1978

Solubility, stability, and electrochemical studies of sulfur-sulfide solutions in organic solvents

A preliminary study of the sulfur electrode in organic solvents suggests that the system warrants further investigation for use in a low temperature (100 deg to 120 C) Na-S secondary battery. A qualitative screening was undertaken at 120 C to determine the solubilities and stabilities of Na2S and Na2S2 in representatives of many classes of organic solvents. From the screening and quantitative studies, two classes of solvents were selected for work; amides and cyclic polyalcohols. Voltammetric and Na-S cell charge discharge studies of sulfide solutions in organic solvents (e.g., N, N-dimethylformamide) at 120 C suggested that the reversibilities of the reactions on Pt or high density graphite were moderately poor. However, the sulfur electrode was indeed reducible (and oxidizable) through the range of elemental sulfur to Na2S. Reactions and mechanisms are proposed for the oxidation reduction processes occurring at the sulfur electrode.

Fielder, W. L.↗

NASA NTRS1995

Nafion(TM) Coats For Electrodes In Liquid-Feed Fuel Cells

Coating or impregnation with commercially available material enables oxidation of organic liquid fuels. Nafion(TM) investigated for use in application because of known combination of desirable characteristics: It is perfluorinated, hydrophilic, proton-conducting ion-exchange polymer exhibiting relatively high thermal and electrochemical stability and not detrimental to kinetics of electrochemical processes. Available in solubilized form and used to apply stable coats to surfaces of electrodes.

Narayanan, Sekharipuram R.↗

NASA NTRS1992

Symposium on High Power, Ambient Temperature Lithium Batteries, 180th Meeting of the Electrochemical Society, Phoenix, AZ, Oct. 13-17, 1991, Proceedings

Papers presented in these proceedings are on the state of the art in high-power lithium batteries, a design analysis of high-power Li-TiS2 battery, the performance and safety features of spiral wound lithium/thionyl chloride cells, the feasibility of a superhigh energy density battery of the Li/BrF3 electrochemical system, and an enhanced redox process of disulfide compounds and their application in high energy storage. Attention is also given to the structure and charge-discharge characteristics of mesophase-pitch based carbons, a study of carbons and graphites as anodes for lithium rechargeable cells, Li metal-free rechargeable Li(1+x)Mn2O4/carbon cells, and rechargeable lithium batteries using V6O13/V5O5 as the positive electrode material. Other papers discuss the electrochemical stability of organic electrolytes in contact with solid inorganic cathode materials, the electrochemical behavior of methyl formate solutions, and the interface between a solid polymer electrolyte and lithium anode.

Clark, W. D. K.↗

NASA NTRS2008

Synthesis and Compatibility of Ionic Liquid Containing Rod-Coil Polyimide Gel Electrolytes with Lithium Metal Electrodes

A highly cross-linked polyimide-polyethylene oxide copolymer has been synthesized that is capable of holding large volumes of liquid component, simultaneously maintaining good dimensional stability. An amine end capped oligomer was made that was imidized in solution, followed by reaction with a triisocyanate in the presence of desired additives at ambient temperature. Polymer films are able to hold over 4 times their weight in room temperature ionic liquid RTIL or carbonate solvent. Electrolytes were studied that contained varying amounts of RTIL, lithium trifluoromethanesulfonimide LiTFSi, and alumina nanoparticles. Electrochemical stability of these electrolytes with lithium metal electrodes was studied by galvanic cycling and impedance spectroscopy. Improved cycling stability and decreased interfacial resistance were observed when increasing amounts of RTIL and LiTFSi were added. The addition of small amounts of alumina further decreased interfacial resistance by nearly an order of magnitude. During the course of the study, cycling stability increased from less than 3 to greater than 1000 h at 60 C and 0.25 mA/cm2 current density.

Tigelaar, Dean M.↗

NASA NTRS2016

Simulations of Li+ in Ionic Liquids: Structure, Transport, and Electrochemical Windows

Ionic liquids have been proposed as candidate electrolytes for a number of electrochemical applications. The Li+ solvation structure in these liquids is of central importance to electrolyte properties, like ionic conductivity and electrochemical stability. To this point, we employ simulations at three different size scales to better understand various aspects of the interplay between Li+ solvation structure and dynamics. The smallest systems are Li(Anion)n clusters that are treated with high-accuracy density functional theory (DFT) techniques to provide insight into solvation shell structure through energetics and comparisons to experimental IRRaman spectra. Mid-range sized liquid-phase systems (12-24 ion pairs) are treated with DFT molecular dynamics (MD) to provide temperature-dependent insight into Li+ solvation structure, diffusion, and electrochemical window. The largest systems (144-216 ion pairs) are treated with polarizable MD simulations to evaluate the influence of Li-networks on structure and provide size independent values of transport properties. We perform this procedure on three technologically important ionic liquids and comment on property correlations with solvation structure.

batteries↗

NASA NTRS1985

High-Cycle-Life Lithium Cell

Lithium-anode electrochemical cell offers increased number of charge/ discharge cycles. Cell uses components selected for compatibility with electrolyte solvent: These materials are wettable and chemically stable. Low vapor pressure and high electrochemical stability of solvent improve cell packaging, handling, and safety. Cell operates at modest temperatures - less than 100 degrees C - and is well suited to automotive, communications, and other applications.

Yen, S. P. S.↗

NASA NTRS1986

Materials characterization of phosphoric acid fuel cell system

The component materials used in the fabrication of phosphoric acid fuel cells (PAFC) must have mechanical, chemical, and electrochemical stability to withstand the moderately high temperature (200 C) and pressure (500 kPa) and highly oxidizing nature of phosphoric acid. This study discusses the chemical and structural stability, performance and corrosion data on certain catalysts, catalyst supports, and electrode support materials used in PAFC applications.

Venkatesh, Srinivasan↗

NASA NTRS1991

Oxygen electrodes for rechargeable alkaline fuel cells, 3

The investigation and development of electrocatalysts and supports for the positive electrode of moderate-temperature single unit rechargeable alkaline fuel cells is described with focus on chemical and electrochemical stability and O2 reduction/evolution activity.

L Swette↗

NASA NTRS2002

Development of Chemically and Thermally Robust Lithium Fast Ion Conducting Chalcogenide Glasses

In this project, a new research thrust into the development of an entirely new class of FIC glasses has begun that may lead to a new set of optimized thin-film lithium ion conducting materials. New chemically robust FIC glasses are being prepared that are expected to exhibit unusually high chemical and electrochemical stability. New thermally robust FIC glasses are being prepared that exhibit softening points in excess of 500 C which will dramatically expand the usable operating temperature range of batteries, fuel-cells, and sensors using such electrolytes. Glasses are being explored in the general compositional series xLi2S+ yGa2S3 + (1-x-y)GeS2. Li2S is added as the source of the conductive lithium ions. GeS2 is the base glass-forming phase and the trivalent sulfides, Ga2S3, is added to increase the "refractoniness" of the glass, that is to significantly increase the softening point of the glass as well as its chemical stability. By optimizing the composition of the glass, new glasses and glass-ceramic FIC materials have been prepared with softening points in excess of 500 C and conductivities above 10(exp -3)/Ohm cm at room temperature. These latter attributes are currently not available in any FIC glasses to date.

Martin, Steve W.↗

NASA NTRS2003

Preliminary Evaluations of Polymer-based Lithium Battery Electrolytes Under Development for the Polymer Electrolyte Rechargeable Systems Program

A component screening facility has been established at The NASA Glenn Research Center (GRC) to evaluate candidate materials for next generation, lithium-based, polymer electrolyte batteries for aerospace applications. Procedures have been implemented to provide standardized measurements of critical electrolyte properties. These include ionic conductivity, electronic resistivity, electrochemical stability window, cation transference number, salt diffusion coefficient and lithium plating efficiency. Preliminary results for poly(ethy1ene oxide)-based polymer electrolyte and commercial liquid electrolyte are presented.

Manzo, Michelle A.↗

NASA NTRS2008

LiGa(OTf)(sub 4) as an Electrolyte Salt for Li-Ion Cells

Lithium tetrakis(trifluoromethane sulfo - nato)gallate [abbreviated "LiGa(OTf)4" (wherein "OTf" signifies trifluoro - methanesulfonate)] has been found to be promising as an electrolyte salt for incorporation into both liquid and polymer electrolytes in both rechargeable and non-rechargeable lithium-ion electrochemical cells. This and other ingredients have been investigated in continuing research oriented toward im proving the performances of rechargeable lithium-ion electrochemical cells, especially at low temperatures. This research at earlier stages, and the underlying physical and chemical principles, were reported in numerous previous NASA Tech Briefs articles. As described in more detail in those articles, lithiumion cells most commonly contain nonaqueous electrolyte solutions consisting of lithium hexafluorophosphate (LiPF6) dissolved in mixtures of cyclic and linear alkyl carbonates, including ethylene carbonate (EC), propylene carbonate (PC), dimethyl carbonate (DMC), diethyl carbonate (DEC), and ethyl methyl carbonate (EMC). Although such LiPF6-based electrolyte solutions are generally highly ionically conductive and electrochemically stable, as needed for good cell performance, there is interest in identifying alternate lithium electrolyte salts that, relative to LiPF6, are more resilient at high temperature and are less expensive. Experiments have been performed on LiGa(OTf)4 as well as on several other candidate lithium salts in pursuit of this interest. As part of these experiments, LiGa(OTf)4 was synthesized by the reaction of Ga(OTf)3 with an equimolar portion of LiOTf in a solvent consisting of anhydrous acetonitrile. Evaporation of the solvent yielded LiGa(OTf)4 as a colorless crystalline solid. The LiGa(OTf)4 and the other salts were incorporated into solutions with PC and DMC. The resulting electrolyte solutions exhibited reasonably high ionic conductivities over a relatively wide temperature range down to 40 C (see figure). In cyclic voltammetry measurements, LiGa(OTf)4 and the other salts exhibited acceptably high electrochemical stability over the relatively wide potential window of 0 to 5 V versus Li+/Li. 13C nuclear-magneticresonance measurements yielded results that suggested that in comparison with the other candidate salts, LiGa(OTf)4 exhibits less ion pairing. Planned further development will include optimization of the salt and solvent contents of such electrolyte solutions and incorporation of LiGa(OTf)4 into gel and solid-state polymer electrolytes. Of the salts, LiGa(OTf)4 is expected to be especially desirable for incorporation into lithium polymer electrolytes, wherein decreased ion pairing is advantageous and the large delocalized anions can exert a plasticizing effect.

Reddy, V. Prakash↗

NASA NTRS2011

Electrochemical and mechanical polishing and shaping method and system

A method and system are provided for the shaping and polishing of the surface of a material selected from the group consisting of electrically semi-conductive materials and conductive materials. An electrically non-conductive polishing lap incorporates a conductive electrode such that, when the polishing lap is placed on the material's surface, the electrode is placed in spaced-apart juxtaposition with respect to the material's surface. A liquid electrolyte is disposed between the material's surface and the electrode. The electrolyte has an electrochemical stability constant such that cathodic material deposition on the electrode is not supported when a current flows through the electrode, the electrolyte and the material. As the polishing lap and the material surface experience relative movement, current flows through the electrode based on (i) adherence to Faraday's Law, and (ii) a pre-processing profile of the surface and a desired post-processing profile of the surface.

Engelhaupt, Darell E.↗

NASA NTRS2003

Alkaline Capacitors Based on Nitride Nanoparticles

High-energy-density alkaline electrochemical capacitors based on electrodes made of transition-metal nitride nanoparticles are undergoing development. Transition- metal nitrides (in particular, Fe3N and TiN) offer a desirable combination of high electrical conductivity and electrochemical stability in aqueous alkaline electrolytes like KOH. The high energy densities of these capacitors are attributable mainly to their high capacitance densities, which, in turn, are attributable mainly to the large specific surface areas of the electrode nanoparticles. Capacitors of this type could be useful as energy-storage components in such diverse equipment as digital communication systems, implanted medical devices, computers, portable consumer electronic devices, and electric vehicles.

Aldissi, Matt↗

NASA NTRS2018

Ionic Liquid Facilitated Recovery of Metals and Oxygen from Regolith

Regolith, being largely composed of metal oxides, has the potential to be an excellent in situ source of metals, such as iron, nickel and aluminum, as well as oxygen. There is, however, no current technology that is suited for the in space separation of metal oxides into their constituent elements. Terrestrial methods require large volumes/masses of hazardous reagents. Alternative methods, such as molten oxide electrolysis, have been investigated, but these processes generally require high temperatures to operate. Such a requirement imposes significant material compatibility restraints, necessitates high energy inputs, and may pose a threat to the health and safety of the crew. This paper discusses a novel process that uses ionic liquids (ILs) to recover high purity metals and oxygen from regolith and meteorite materials. ILs are organic salts that are molten at or near room temperature, and can have a number of attractive properties including wide liquidus ranges and high thermal and electrochemical stability. The structure of an IL can be readily modified to tune these properties, allowing the synthesis of task specific ILs. Together, these attributes give ILs great utility in a number of space related areas, such environmental control and life support, in space repair and manufacture, and in situ resource utilization.

Karr, Laurel J.↗

NASA NTRSDate not supplied

Interpretable Tree-Based and Graph Neural Network Approaches for Novel Solid State Electrolyte Design

All-solid-state batteries with Li metal anode can address the safety issues surrounding traditional Li-ion batteries as well as the demand for higher energy densities. However, the development of solid electrolytes simultaneously possessing high ionic conductivity and good chemical and electrochemical stabilities has proven to be a challenge. I will present our informatics approach to explore the Li compound space for promising solid electrolytes using high-throughput multi-property screening and interpretable machine learning. This is accomplished through the generation of a large database of battery-related materials properties of Li compounds. We use tree-based ensemble learning methods and graph neural network approaches to accurately learn relationships between crystal structures and corresponding thermodynamic and kinetic properties, with interpretability being a major focus. Our models give us the ability to enable rapid discovery and design of novel solid-state battery chemistries.

Materials discovery↗

NASA NTRSDate not supplied

Interpretable ML Approaches for Novel Solid State Electrolyte Design

All-solid-state batteries with Li metal anode can address the safety issues surrounding traditional Li-ion batteries as well as the demand for higher energy densities. However, the development of solid electrolytes simultaneously possessing high ionic conductivity and good chemical and electrochemical stabilities has proven to be a challenge. I will present our informatics approach to explore the Li compound space for promising solid electrolytes using high-throughput multi-property screening and interpretable machine learning. This is accomplished through the generation of a large database of battery-related materials properties of Li compounds. We use tree-based ensemble learning methods and graph neural network approaches to accurately learn relationships between crystal structures and corresponding thermodynamic and kinetic properties, with interpretability being a major focus. Our models give us the ability to enable rapid discovery and design of novel solid-state battery chemistries.

Shreyas J Honrao↗