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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
All sourcesNASA NTRSDOE OSTI
NASA NTRS2011

Li Anode Technology for Improved Performance

A novel, low-cost approach to stabilization of Li metal anodes for high-performance rechargeable batteries was developed. Electrolyte additives are selected and used in Li cell electrolyte systems, promoting formation of a protective coating on Li metal anodes for improved cycle and safety performance. Li batteries developed from the new system will show significantly improved battery performance characteristics, including energy/power density, cycle/ calendar life, cost, and safety.

Chen, Tuqiang↗
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 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↗
NASA NTRS2018

Ionic Liquids at Electrified Interfaces: From Double Layers to Decomposition

Ionic liquids are versatile electrolytes whose properties at electrified interfaces have the potential to enable technologies such as supercapacitors and Li-metal battery anodes. At electrified carbon surfaces, ionic liquids form an electric double layer that stores energy and provides the foundation for supercapacitors. At electrified lithium surfaces, ionic liquids decompose to form a solid electrolyte interphase that has the potential to stabilize Li-metal anodes in rechargable batteries. The behavior of two ionic liquids of technological importance, [pyr14][TFSI] and [EMIM][BF4], are examined at these electrified interfaces through molecular dynamics and ab initio techniques.

Haskins, Justin B.↗
NASA NTRS2018

Ionic Liquids at Electrified Interfaces: from Double Layers to Decomposition

Ionic liquids are versatile electrolytes whose properties at electrified interfaces have the potential to enable technologies such as supercapacitors and Li-metal battery anodes. At electrified carbon surfaces, ionic liquids form an electric double layer that stores energy and provides the foundation for supercapacitors. At electrified lithium surfaces, ionic liquids decompose to form a solid electrolyte interphase that has the potential to stabilize Li-metal anodes in rechargable batteries. The behavior of two ionic liquids of technological importance, [pyr14][TFSI] and [EMIM][BF4], are examined at these electrified interfaces through molecular dynamics and ab initio techniques.

Haskins, Justin B.↗
NASA NTRS2018

Ionic Liquids at Electrified Interfaces: from Double Layers to Decomposition

Ionic liquids are versatile electrolytes whose properties at electrified interfaces have the potential to enable technologies such as supercapacitors and Li-metal battery anodes. At electrified carbon surfaces, ionic liquids form an electric double layer that stores energy and provides the foundation for supercapacitors. At electrified lithium surfaces, ionic liquids decompose to form a solid electrolyte interphase that has the potential to stabilize Li-metal anodes in rechargable batteries. The behavior of two ionic liquids of technological importance, [pyr14][TFSI] and [EMIM][BF4], are examined at these electrified interfaces through molecular dynamics and ab initio techniques.

Haskins, Justin B.↗
NASA NTRS2019

Development of Solid State Electrolytes for Li-Metal Based High Capacity Battery

NASA future missions demand safe, high specific energy (>400 Wh/kg) batteries. Current state-of-the-art (SOA) lithium-ion batteries (LIBs) can only provide ~150-200 Wh/kg in energy capacity, which is unable to meet NASA's future energy goals, and also pose safety issues due to the use of liquid flammable electrolyte. There are intense on-going development activities to increase battery energy density. The use of Li metal as an anode material has emerged as one highly attractive option for achieving high-energy, next generation batteries. This is because Li has many advantages. It is the lightest metal, but also has the highest theoretical capacity. It also has the lowest potential, which boosts whole cell voltage, and Li metal is 100% active material and requires no binder. Thus, Li metal is an ideal anode material for high energy battery chemistries. Lithium metal based advanced battery chemistries are envisioned to be mission enhancing and, in many cases, mission enabling for future space and aeronautic applications. However, the reliable use of this exceptionally high capacity anode in a commercial rechargeable battery has not been achieved due to safety and reliability concerns resulting from thermal runaway and short-circuit issues due to dendritic growth on the Li metal anode from lithium plating during charge-discharge cycles. A solid state electrolyte, such as garnet/ceramic or solid polymer nanocomposite electrolyte, is a promising approach to make Li metal safely cycling. The solid state electrolyte is non-flammable and eliminates leakage and fire hazard by replacing the liquid flammable electrolyte. However, the low-ionic conductivity and high interfacial impedance are the key issues to be overcome. In this presentation, the research activities on solid state electrolyte development funded by the NASA Advanced Energy Storage System program and by the NASA Center Innovative Fund will be presented, and the progress and results will be also discussed.

Wu, James J.↗
NASA NTRSDate not supplied

Molten Salt Electrolytes: Computational Analysis of Transport, Electrochemical Properties and Designing New Mixtures

Electric aircraft propulsion has gained a traction over the last decade due to possible high-energy density electrochemistries with reasonable cycle life and identification of non-flammable chemistries that can guarantee much better safety. Commercial Li-ion batteries cannot reach such high capacities because of weight limitations that arise from the widely used intercalation electrodes. Also, use of organic electrolytes make them highly susceptible to fire on exposure to air and humidity. Currently, use of Lithium metal anode along with conversion electrochemistries such as Li-O2 and Li-S are being pursued to achieve such high energy densities. Safer inorganic solid-state electrolytes, recently discovered Water-in-Salt electrolytes, molten salt electrolytes are some of the alternatives being pursued for a safer/non-flammable battery. Of these safer alternatives, molten-salt electrolytes offer some attractive properties: liquid at operating temperatures resulting in better electrode-wetting, stable interface with Li-metal anodes and good ionic conductivity; their only drawback being high operating temperatures. In this talk, we will discuss some of the computational studies, driven via atomistic simulations, of the properties of molten-salt electrolytes including transport mechanism and interface stability. We will also discuss predicting electrochemical properties of these high-temperature electrolytes. Further, we will discuss a thermodynamic approach to predicting new molten-salt eutectics with lower melting points.

Molten Salt Electrolytes↗
NASA NTRS2015

Development of Li-Metal Battery Cell Chemistries at NASA Glenn Research Center

State-of-the-Art lithium-ion battery technology is limited by specific energy and thus not sufficiently advanced to support the energy storage necessary for aerospace needs, such as all-electric aircraft and many deep space NASA exploration missions. In response to this technological gap, our research team at NASA Glenn Research Center has been active in formulating concepts and developing testing hardware and components for Li-metal battery cell chemistries. Lithium metal anodes combined with advanced cathode materials could provide up to five times the specific energy versus state-of-the-art lithium-ion cells (1000 Whkg versus 200 Whkg). Although Lithium metal anodes offer very high theoretical capacity, they have not been shown to successfully operate reversibly.

battery↗
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 NTRS2013

Li-Ion Battery and Supercapacitor Hybrid Design for Long Extravehicular Activities

With the need for long periods of extravehicular activities (EVAs) on the Moon or Mars or a near-asteroid, the need for long-performance batteries has increased significantly. The energy requirements for the EVA suit, as well as surface systems such as rovers, have increased significantly due to the number of applications they need to power at the same time. However, even with the best state-of-the-art Li-ion batteries, it is not possible to power the suit or the rovers for the extended period of performance. Carrying a charging system along with the batteries makes it cumbersome and requires a self-contained power source for the charging system that is usually not possible. An innovative method to charge and use the Li-ion batteries for long periods seems to be necessary and hence, with the advent of the Li-ion supercapacitors, a method has been developed to extend the performance period of the Li-ion power system for future exploration applications. The Li-ion supercapacitors have a working voltage range of 3.8 to 2.5 V, and are different from a traditional supercapacitor that typically has a working voltage of 1 V. The innovation is to use this Li-ion supercapacitor to charge Liion battery systems on an as-needed basis. The supercapacitors are charged using solar arrays and have battery systems of low capacity in parallel to be able to charge any one battery system while they provide power to the application. Supercapacitors can safely take up fast charge since the electrochemical process involved is still based on charge separation rather than the intercalation process seen in Li-ion batteries, thus preventing lithium metal deposition on the anodes. The lack of intercalation and eliminating wear of the supercapacitors allows for them to be charged and discharged safely for a few tens of thousands of cycles. The Li-ion supercapacitors can be charged from the solar cells during the day during an extended EVA. The Liion battery used can be half the capacity required for a nominal EVA. The small Li-ion battery can be divided into two parallel modules with independent charging ports that would allow the supercapacitors to charge one battery while the other is providing power to the rover or suit.

Jeevarajan, Judith↗
NASA NTRS2015

Study of Stable Cathodes and Electrolytes for High Specific Density Lithium-Air Battery

Future NASA missions require high specific energy battery technologies, greater than 400 Wh/kg. Current NASA missions are using "state-of-the-art" (SOA) Li-ion batteries (LIB), which consist of a metal oxide cathode, a graphite anode and an organic electrolyte. NASA Glenn Research Center is currently studying the physical and electrochemical properties of the anode-electrolyte interface for ionic liquid based Li-air batteries. The voltage-time profiles for Pyr13FSI and Pyr14TFSI ionic liquids electrolytes studies on symmetric cells show low over-potentials and no dendritic lithium morphology. Cyclic voltammetry measurements indicate that these ionic liquids have a wide electrochemical window. As a continuation of this work, sp2 carbon cathode and these low flammability electrolytes were paired and the physical and electrochemical properties were studied in a Li-air battery system under an oxygen environment.

cathodes↗
NASA NTRS2008

Chemical Passivation of Li(exp +)-Conducting Solid Electrolytes

Plates of a solid electrolyte that exhibits high conductivity for positive lithium ions can now be passivated to prevent them from reacting with metallic lithium. Such passivation could enable the construction and operation of high-performance, long-life lithium-based rechargeable electrochemical cells containing metallic lithium anodes. The advantage of this approach, in comparison with a possible alternative approach utilizing lithium-ion graphitic anodes, is that metallic lithium anodes could afford significantly greater energy-storage densities. A major impediment to the development of such cells has been the fact that the available solid electrolytes having the requisite high Li(exp +)-ion conductivity are too highly chemically reactive with metallic lithium to be useful, while those solid electrolytes that do not react excessively with metallic lithium have conductivities too low to be useful. The present passivation method exploits the best features of both extremes of the solid-electrolyte spectrum. The basic idea is to coat a higher-conductivity, higher-reactivity solid electrolyte with a lower-conductivity, lower-reactivity solid electrolyte. One can then safely deposit metallic lithium in contact with the lower-reactivity solid electrolyte without incurring the undesired chemical reactions. The thickness of the lower-reactivity electrolyte must be great enough to afford the desired passivation but not so great as to contribute excessively to the electrical resistance of the cell. The feasibility of this method was demonstrated in experiments on plates of a commercial high-performance solid Li(exp +)- conducting electrolyte. Lithium phosphorous oxynitride (LiPON) was the solid electrolyte used for passivation. LiPON-coated solid-electrolyte plates were found to support electrochemical plating and stripping of Li metal. The electrical resistance contributed by the LiPON layers were found to be small relative to overall cell impedances.

West, William↗
NASA NTRS2005

Nickel-Tin Electrode Materials for Nonaqueous Li-Ion Cells

Experimental materials made from mixtures of nickel and tin powders have shown promise for use as the negative electrodes of rechargeable lithium-ion electrochemical power cells. During charging (or discharging) of a lithium-ion cell, lithium ions are absorbed into (or desorbed from, respectively) the negative electrode, typically through an intercalation or alloying process. The negative electrodes (for this purpose, designated as anodes) in state-of-the-art Li-ion cells are made of graphite, in which intercalation occurs. Alternatively, the anodes can be made from metals, in which alloying can occur. For reasons having to do with the electrochemical potential of intercalated lithium, metallic anode materials (especially materials containing tin) are regarded as safer than graphite ones; in addition, such metallic anode materials have been investigated in the hope of obtaining reversible charge/discharge capacities greater than those of graphite anodes. However, until now, each of the tin-containing metallic anode formulations tested has been found to be inadequate in some respect.

Ehrlich, Grant M.↗