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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Improved Stability of Oxysulfide Solid-State Electrolytes in Li(G3)TFSI Solvate Ionic Liquid Electrolyte

The performance of all solid-state batteries is limited by poor interfacial contact between active material and solid-state electrolyte (SSE) particles. Semi-solid batteries utilize a secondary electrolyte phase to wet the SSE/AM interface to improve cell performance. Solvate ionic liquids (SILs) are one class of liquid electrolytes under consideration for use in semi-solid batteries. This paper focuses on the Li(G3)TFSI SIL consisting of the bis(trifluoromethanesulfonyl)imide (TFSI − ) anion coupled to a [Li(G3)] + solvate cation. Sulfide SSEs are normally subject to nucleophilic attack by trigylme (G3), however, strong coordination of Li + to G3 in the [Li(G3)] + solvate cation prevents this reaction from taking place. Consequently, the stability of sulfide SSE depends on the ideal 1:1 molar ratio of G3 to TFSI, which may be difficult to maintain. We studied the chemical stability of 70Li 2 S·(30-x)P 2 S 5 ·xP 2 O 5 (x = 0, 2, 5, 10) (oxy)sulfide solid-state electrolyte in Li(G3)TFSI SIL. By physical measurement, UV–vis spectroscopy, electrochemical evaluation, X-ray photoelectron spectroscopy, and first principles calculation it is shown that increased oxygen content improves the stability of SSE in various Li(G3) x TFSI (x = 1, 2, 3, 4) liquid electrolytes. The results suggest that an oxysulfide SSE + SIL semi-solid electrolyte is a good choice for future semi-solid battery designs.

Electrochemistry↗
NASA NTRS1979

Li, Be, and B in minerals of a refractory-rich Allende inclusion

The abundances of Li, Be, and B and the isotopic ratios of Li and B have been measured by ion microprobe in melilite, pyroxene, anorthite, and spinel grains in a coarse-grained inclusion from the Allende meteorite. Based on the measurements, it is estimated that the bulk inclusion contains 200 ppb Li, 310 ppb Be, and 18 ppm B. The B is probably due to contamination. The Li-7/Li-6 ratios in spinels, pyroxene, and melilite are indistinguishable at the + or - 15% level and lie within the uncertainty (+ or - 15%) of the range of values reported for samples of the earth and meteorites. It has been determined that this inclusion contains an excess of Al-correlated Mg-26, implying that Al-26 was once present in it. The Li-Be-B effects for two solar-system proton-irradiation models which propose to account for Al-26 in Allende inclusions have been calculated. It is found that the predicted Li-Be-B abundances and isotopic ratios are grossly different from those observed in any solar-system materials.

Phinney, D.↗
NASA NTRS1989

Identification of strengthening phases in Al-Cu-Li alloy Weldalite 049

The tensile properties in the peak-strength T8 temper for Weldalite 049, a family of ultrahigh-strength weldable Al-Cu-Li-based alloys with a Li content ranging from 0 to 1.9 wt percent, are investigated, and strengthening precipitates at selected Li levels are identified. Relatively small amounts of Ag and Mg were found to be extremely effective in stimulating precipitation in Weldalite 049, resulting in a homogeneous distribution of fine, platelike precipitates with a 111-type habit plane in the peak-aged, T8 temper. The yield and tensile strengths are strongly dependent on Li content, with a peak in the range of 1.1 to 1.4 wt percent Li. At above 1.4 wt percent Li, strength decreases rapidly, which is associated with delta-prime precipitation. For high-resolution TEM, the structure of T(1)-type precipitates in Weldalite 049 is similar to that of T(1) platelets in 2090.

Langan, T. J.↗
NASA NTRS1992

Astrophysical Li-7 as a product of big bang nucleosynthesis and galactic cosmic-ray spallation

The astrophysical Li-7 abundance is considered to be largely primordial, while the Be and B abundances are thought to be due to galactic cosmic ray (GCR) spallation reactions on top of a much smaller big bang component. But GCR spallation should also produce Li-7. As a consistency check on the combination of big bang nucleosynthesis and GCR spallation, the Be and B data from a sample of hot population II stars is used to subtract from the measured Li-7 abundance an estimate of the amount generated by GCR spallation for each star in the sample, and then to add to this baseline an estimate of the metallicity-dependent augmentation of Li-7 due to spallation. The singly reduced primordial Li-7 abundance is still consistent with big bang nucleosynthesis, and a single GCR spallation model can fit the Be, B, and corrected Li-7 abundances for all the stars in the sample.

Olive, Keith A.↗
NASA NTRS1999

Evaluation of Pressurization Fatigue Life of 1441 Al-li Fuselage Panel

A study was conducted to evaluate the pressurization fatigue life of fuselage panels with skins fabricated from 1441 Al-Li, an attractive new Russian alloy. The study indicated that 1441 Al-Li has several advantages over conventional aluminum fuselage skin alloy with respect to fatigue behavior. Smooth 1441 Al-Li sheet specimens exhibited a fatigue endurance limit similar to that for 1163 Al (Russian version of 2024 Al) sheet. Notched 1441 Al-Li sheet specimens exhibited greater fatigue strength and longer fatigue life than 1163 Al. In addition, Tu-204 fuselage panels fabricated by Tupolev Design Bureau using Al-Li skin and ring frames with riveted 7000-series aluminum stiffeners had longer pressurization fatigue lives than did panels constructed from conventional aluminum alloys. Taking into account the lower density of this alloy, the results suggest that 1441 Al-Li has the potential to improve fuselage performance while decreasing structural weight.

Bird, R. Keith↗
NASA NTRS2000

Li-Ion Cell Development for Low Temperature Applications

JPL is involved in the development of rechargeable Li-ion cells for future Mars Exploration Missions. The specific objectives are to improve the Li-ion cell cycle life performance and rate capability at low temperature (<<-20 C) in order to enhance survivability of the Mars lander and rover batteries. Poor Li-ion rate capability at low temperature has been attributed to: (1) the electrolytes becoming viscous or freezing and/or (2) reduced electrode capacity that results from decreased Li diffusivity. Our efforts focus on increasing the rate capability at low temperature for Li-ion cells. In order to improve the rate capability we evaluated the following: (1) cathode performance at low temperatures, (2) electrode active material particle size on low temperature performance and (3) Li diffusivity at room temperature and low temperatures. In this paper, we will discuss the results of our study.

Huang, C.-K.↗
NASA NTRS2016

Interfacial Structure and Capacitance of Li-doped Ionic Liquid Electrolytes from Molecular Simulations

Ionic liquids have been proposed as candidate electrolytes for high-energy density, rechargeable batteries, supercapacitors, and hybrid energy storage devices. Though Li-salt is often present in these systems, its influence on interfacial properties is largely uncharacterized. We, thereby, present an extensive computational analysis, supported by experimental comparisons, of the properties of a representative set of these electrolytesat an ideal carbon interface as a function of Li-salt doping and voltage. We have performed polarizable molecular (MD) dynamics simulations, using the APPLEP force field, to evaluate electric double layer (EDL) capacitance and distribution of Li+ in the EDL. Differential capacitance exhibits the characteristic camel profile and is insensitive to Li-doping. Li+ localizes in the second molecular layer of the EDL, which is a result of confinement from free energy barriers associated with ion layering. Joint MDelectronic structure computations show the electrochemical window of the electrolytes to be a weak function of Li-doping. Estimates of supercapacitor specific energy are made using the computed window and capacitance. The magnitude and trends in specific energy are in good agreement with experiment.

batteries↗
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

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↗
DOE OSTI2022

Decreasing the Overpotential of Aprotic Li-CO 2 Batteries with the In-Plane Alloy Structure in Ultrathin 2D Ru-Based Nanosheets

We report the aprotic Li-CO 2 battery is emerging as a promising energy storage technology with the capability of CO 2 fixation and conversion. However, its practical applications are still impeded by the large overpotential. Herein, the general synthesis of a series of ultrathin 2D Ru-M (M = Co, Ni, and Cu) nanosheets by a facile one-pot solvothermal method is reported. As a proof-of-concept application, the representative RuCo nanosheets are used as the cathode catalysts for Li-CO 2 batteries, which demonstrate a low charge voltage of 3.74 V, a small overpotential of 0.94 V, and hence a high energy efficiency of 75%. Ex/in situ studies and density functional theory calculations reveal that the excellent catalytic performance of RuCo nanosheets originates from the enhanced adsorption toward Li and CO 2 during discharge as well as the elevated electron interaction with Li 2 CO 3 during charge by the in-plane RuCo alloy structure. This work indicates the feasibility of boosting the electrochemical performance of Li-CO 2 batteries by in-plane metal alloy sites of ultrathin 2D alloy nanomaterials.

25 ENERGY STORAGE↗
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 OSTI2020

Potassium Prussian blue-coated Li-rich cathode with enhanced lithium ion storage property

With high specific capacity, the layered Li-rich Mn-based oxide (LRMO) is a promising candidate cathode material for Li-ion batteries. However, the irreversible release of Li-ions during the first charging process, instability of LRMO/electrolyte interface and relatively low ion conductivity of LRMO result in low initial Coulombic efficiency (ICE), poor cycle stability and rate performance, which prohibit its further application. Furthermore, interface engineering via additive coating is expected to effectively address these issues. Herein, we rely on potassium Prussian blue (KPB), a Li + acceptor with good ion conductivity, as a new coating material on LRMO particles. The KPB coating not only forms a protective layer on the surface of LRMO against electrolyte corrosion, but also functions as a host for Li + transport and accommodation, leading to enhanced ion conductivity and ICE of LRMO cathode. Consequently, 2 wt% KPB coated LRMO cathode achieved an initial discharge capacity of up to 281.7 mA h g -1 with an ICE of 85.69% compared to an ICE of 79.52% for the LRMO cathode without coating. The cycling and rate performance are also greatly improved as evidenced by the well maintained capacity of up to 176.8 mA h g -1 after 100 cycles at a current density of 0.5 C, compared to the limited capacity of only 135.3 mA h g -1 for the LRMO cathode without coating. Overall, this work pioneers the use of potassium Prussian blue as additive coating material to enhance performance of LRMO cathode, and we expect it to inspire the battery community with new strategies of material engineering/design toward practical application in high-energy lithium-ion batteries.

25 ENERGY STORAGE↗
DOE OSTI2020

Tuning Oxygen Redox Reaction through the Inductive Effect with Proton Insertion in Li-Rich Oxides

As a parent compound of Li-rich electrodes, Li 2 MnO 3 exhibits high capacity during the initial charge; however, it suffers notoriously low Coulombic efficiency due to oxygen and surface activities. Here, we successfully optimize the oxygen activities toward reversible oxygen redox reactions by intentionally introducing protons into lithium octahedral vacancies in the Li 2 MnO 3 system with its original structural integrity maintained. Combining structural probes, theoretical calculations, and resonant inelastic X-ray scattering results, a moderate coupling between the introduced protons and lattice oxygen at the oxidized state is revealed, which stabilizes the oxygen activities during charging. Such a coupling leads to an unprecedented initial Coulombic efficiency (99.2%) with a greatly improved discharge capacity of 302 mAh g -1 in the protonated Li 2 MnO 3 electrodes. These findings directly demonstrate an effective concept for controlling oxygen activities in Li-rich systems, which is critical for developing high-energy cathodes in batteries.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Materials Data on Li(PrGe)4 by Materials Project

Li(PrGe)4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li is bonded in a T-shaped geometry to three Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.83–3.00 Å. There are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Pr–Ge bond distances ranging from 3.09–3.71 Å. In the second Pr site, Pr is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Pr–Ge bond distances ranging from 3.00–3.15 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Li, six Pr, and one Ge atom. The Ge–Ge bond length is 2.57 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to seven Pr and one Ge atom. The Ge–Ge bond length is 2.66 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to one Li, six Pr, and one Ge atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li(CeGe)4 by Materials Project

Ce4LiGe4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li is bonded in a T-shaped geometry to five Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.76–3.26 Å. There are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Ce–Ge bond distances ranging from 3.06–3.54 Å. In the second Ce site, Ce is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Ce–Ge bond distances ranging from 2.95–3.14 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Li, six Ce, and one Ge atom. The Ge–Ge bond length is 2.59 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to one Li, seven Ce, and one Ge atom. The Ge–Ge bond length is 2.67 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to one Li, six Ce, and one Ge atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li(HoGe)4 by Materials Project

Ho4LiGe4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li is bonded in a distorted T-shaped geometry to five Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.70–3.17 Å. There are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Ho–Ge bond distances ranging from 2.97–3.38 Å. In the second Ho site, Ho is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Ho–Ge bond distances ranging from 2.85–3.03 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Li, six Ho, and one Ge atom. The Ge–Ge bond length is 2.56 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to one Li, seven Ho, and one Ge atom. The Ge–Ge bond length is 2.67 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to one Li, six Ho, and one Ge atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li(TmGe)4 by Materials Project

LiTm4Ge4 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li is bonded in a 3-coordinate geometry to five Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.66–3.11 Å. There are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Tm–Ge bond distances ranging from 2.81–2.99 Å. In the second Tm site, Tm is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Tm–Ge bond distances ranging from 2.93–3.33 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to one Li, six Tm, and one Ge atom. The Ge–Ge bond length is 2.55 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Li, six Tm, and one Ge atom. In the third Ge site, Ge is bonded in a 9-coordinate geometry to one Li, seven Tm, and one Ge atom. The Ge–Ge bond length is 2.65 Å.

36 MATERIALS SCIENCE↗