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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 NTRS2014

Lithium Ion Electrolytes and Lithium Ion Cells With Good Low Temperature Performance

There is provided in one embodiment of the invention an electrolyte for use in a lithium ion electrochemical cell. The electrolyte comprises a mixture of an ethylene carbonate (EC), an ethyl methyl carbonate (EMC), an ester cosolvent, and a lithium salt. The ester cosolvent comprises methyl propionate (MP), ethyl propionate (EP), methyl butyrate (MB), ethyl butyrate (EB), propyl butyrate (PB), or butyl butyrate (BB). The electrochemical cell operates in a temperature range of from about -60 C to about 60 C. In another embodiment there is provided a lithium ion electrochemical cell using the electrolyte of the invention.

Smart, Marshall C.↗
NASA NTRS2023

3D Printed TiO 2 Negative Electrodes for Sodium-Ion and Lithium-ion Batteries using Vat Photopolymerization

Additive manufacturing, also called 3D printing, represents a unique approach to develop three dimensional shape-conformable batteries with enhanced electrodes, specific surface area, improved ion diffusion, and power. For the first time, the formulation of a composite photocurable resin loaded with battery electrochemically active components was designed to feed a vat photopolymerization (VPP) 3D printer. In direct alignment with NASA’s Artemis mission goals to develop sustainable lunar energy storage infrastructure necessary to support long-term human operations, TiO 2 was here selected as an active material for the negative electrode for sodium-ion and lithium-ion batteries due to its abundance on the lunar surface. The TiO 2 loading in the composite photocurable resin and in the resulting VPP-printed negative electrode was increased as high as possible to enhance the electrochemical performance, while simultaneously ensuring the printability and acceptable mechanical strength for sample handling. The effect of thermal post-processing on the electrical, electrochemical and mechanical performance is reported. Finally, a configurational study is implemented to identify the impact of two different electrode designs (cubic and gyroid lattice unit cells) on the electrochemical performance. This work addresses the difficulties related to the introduction of solid particles within a VPP photocurable resin and the need for a compromise between the electrochemical performances and printability to obtain fully functional VPP-printed electrodes.

sodium-ion battery↗
DOE OSTI2025

Lithium-Ion Batteries with Lithium Manganese Iron Phosphate Cathodes and Lithium Titanate Anodes: Linking Electrode Dynamics to Cell Performance

This study examines the electrochemical performance, impedance behavior, and aging mechanisms of lithium-ion cells pairing lithium manganese iron phosphate (LiMn 0.6 Fe 0.4 PO 4 , LMFP64) cathodes with lithium titanate (Li 4 Ti 5 O 12 , LTO) anodes. LMFP64 half-cells display distinct Fe and Mn redox plateaus at ∼3.5 and ∼4.1 V, respectively, and deliver excellent rate capability. Three-electrode measurements show that LMFP64 dominates cell impedance, which changes sharply across the Fe–Mn redox transition and decreases with increasing temperature (30 °C–50 °C). Voltage hysteresis arises mainly from the cathode, with higher C-rates shortening redox plateaus and broadening the transition region. Elevated temperature lowers impedance, especially near the Mn-redox and transition regions, but accelerates capacity fade. Post-cycling analyses of electrodes confirm structural stability of LMFP64 and indicate loss of lithium inventory (LLI) as the source of capacity fade. This LLI causes potential slippage between the LMFP64 and LTO electrodes, which decreases the Fe-redox plateau width. Long-term cycling highlights the critical role of electrode overhang: cathode overhang mitigates capacity fade by buffering lithium loss, whereas anode overhang cells experience faster capacity decline due to uncompensated lithium depletion. These results clarify LMFP64/LTO battery impedance evolution, thermal effects, and degradation pathways and provide insights for their applications in electric vehicles.

Area Specific Impedance↗
NASA NTRS2010

NASA Aerospace Flight Battery Program: Generic Safety, Handling and Qualification Guidelines for Lithium-Ion (Li-Ion) Batteries; Availability of Source Materials for Lithium-Ion (Li-Ion) Batteries; Maintaining Technical Communications Related to Aerospace Batteries (NASA Aerospace Battery Workshop)

This NASA Aerospace Flight Battery Systems Working Group was chartered within the NASA Engineering and Safety Center (NESC). The Battery Working Group was tasked to complete tasks and to propose proactive work to address battery related, agency-wide issues on an annual basis. In its first year of operation, this proactive program addressed various aspects of the validation and verification of aerospace battery systems for NASA missions. Studies were performed, issues were discussed and in many cases, test programs were executed to generate recommendations and guidelines to reduce risk associated with various aspects of implementing battery technology in the aerospace industry. This document contains Part 1 - Volume I: Generic Safety, Handling and Qualification Guidelines for Lithium-Ion (Li-Ion) Batteries, Availability of Source Materials for Lithium-Ion (Li-Ion) Batteries, and Maintaining Technical Communications Related to Aerospace Batteries (NASA Aerospace Battery Workshop).

Manzo, Michelle A.↗
DOE OSTI2024

Uncovering the binding nature of thiocyanate in contact ion pairs with lithium ions

Ion pair formation is a fundamental molecular process that occurs in a wide variety of systems, including electrolytes, biological systems, and materials. In solution, the thiocyanate (SCN–) anion interacts with cations to form contact ion pairs (CIPs). Due to its ambidentate nature, thiocyanate can bind through either its sulfur or nitrogen atoms, depending on the solvent. This study focuses on the binding nature of thiocyanate with lithium ions as a function of the solvents using FTIR, 2D infrared spectroscopy (2DIR) spectroscopies, and theoretical calculations. The study reveals that the SCN– binding mode (S or N end) in CIPs can be identified through 2DIR spectroscopy but not by linear IR spectroscopy. Linear IR spectroscopy shows that the CN stretch frequencies are too close to one another to separate N- and S-bound CIPs. Moreover, the IR spectrum shows that the S–C stretch presents different frequencies for the salt in different solvents, but it is related to the anion speciation rather than to its binding mode. A similar trend is observed for the anion bend. 2DIR spectra show different dynamics for N-bound and S-bound thiocyanate. In particular, the frequency–frequency correlation function (FFCF) dynamics extracted from the 2DIR spectra have a single picosecond exponential decay for N-bound thiocyanate and a biexponential decay for S-bound thiocyanate, consistent with the binding mode of the anion. Lastly, it is also observed that the binding mode also affects the line shape parameters, probably due to the different molecular mechanisms of the FFCF for N- and S-bound CIPs.

25 ENERGY STORAGE↗
NASA NTRS2000

Storage Characteristics of Lithium Ion Cells

Lithium ion cells are being developed under the NASA/Air Force Consortium for the upcoming aerospace missions. First among these missions are the Mars 2001 Lander and Mars 2003 Lander and Rover missions. Apart from the usual needs of high specific energy, energy density and long cycle life, a critical performance characteristic for the Mars missions is low temperature performance. The batteries need to perform well at -20 C, with at least 70% of the rated capacity realizable at moderate discharge rates (C/5). Several modifications have been made to the lithium ion chemistry, mainly with respect to the electrolyte, both at JPL' and elsewhere to achieve this. Another key requirement for the battery is its storageability during pre-cruise and cruise periods. For the Mars programs, the cruise period is relatively short, about 12 months, compared to the Outer Planets missions (3-8 years). Yet, the initial results of our storage studies reveal that the cells do sustain noticeable permanent degradation under certain storage conditions, typically of 10% over two months duration at ambient temperatures, attributed to impedance buildup. The build up of the cell impedance or the decay in the cell capacity is affected by various storage parameters, i.e., storage temperature, storage duration, storage mode (open circuit, on buss or cycling at low rates) and state of charge. Our preliminary studies indicate that low storage temperatures and states of charge are preferable. In some cases, we have observed permanent capacity losses of approx. 10% over eight-week storage at 40 C, compared to approx. 0-2% at O C. Also, we are attempting to determine the impact of cell chemistry and design upon the storageability of Li ion cells.

Ratnakumar, B. V.↗
NASA NTRS1997

Lithium Ion Batteries

Lithium ion batteries, which use a new battery chemistry, are being developed under cooperative agreements between Lockheed Martin, Ultralife Battery, and the NASA Lewis Research Center. The unit cells are made in flat (prismatic) shapes that can be connected in series and parallel to achieve desired voltages and capacities. These batteries will soon be marketed to commercial original-equipment manufacturers and thereafter will be available for military and space use. Current NiCd batteries offer about 35 W-hr/kg compared with 110 W-hr/kg for current lithium ion batteries. Our ultimate target for these batteries is 200 W-hr/kg.

Source record↗
DOE OSTI2025

Semiconducting Zn x Mo 3 S 13 -GO Chalcocarbogel: A High-Capacity and Stable Sulfur-Equivalent Conversion-Based Electrode for Lithium-Ion Batteries

Lithium–sulfur batteries with a sulfur electrode offer a theoretical capacity of ∼1672 mAh g –1 , but rapid capacity loss mainly constrains their practical application. This work introduces a semiconducting and amorphous Zn x Mo 3 S 13 -GO (x = 0.5) chalcocarbogel sulfur-equivalent electrode with superior capacity and stability for lithium-ion batteries (LIBs). The Zn x Mo 3 S 13 -GO is synthesized in solution under ambient conditions, and its local structure contains S–S, M-Q (M = Mo, Zn; Q = S, O), C–S, and Mo–Mo bonding motifs with Mo coordination environment closely related to Mo 3 S 13 anions, as determined by X-ray photoelectron spectroscopy, synchrotron X-ray scattering, X-ray absorption spectroscopy, and ab initio molecular dynamics simulations. The Li/Zn x Mo 3 S 13 -GO cell offers an initial discharge capacity of 1019 mAh g –1 at a rate of C/3. After the activation cycles, the Li/Zn x Mo 3 S 13 -GO cell demonstrates good cycling stability, retaining a discharge capacity of 519.4 mAh g –1 after 250 cycles with ∼99.98% Coulombic efficiency and excellent rate capabilities. Moreover, it provides an initial discharge capacity of ∼574 mAh g –1 and maintains a retention capacity of 279 mAh g –1 at 1C after 625 cycles. The Lewis acidic Zn 2+ ion enhances the Lewis basic polysulfide anchoring ability and reduces the dissolution of polysulfides produced during the redox process through Zn–S covalent interaction, while the semiconducting and amorphous structure of the chalcocarbogel increases the electrical and ionic conductivity. Furthermore, this work highlights chalcocarbogels’ potential for developing high-capacity and stable electrodes for LIBs.

25 ENERGY STORAGE↗
DOE OSTI2025

Cycling Performance and Structure Evolution of Co-Free Lithium- and Manganese-Rich Layered Oxides in Lithium-Ion Batteries

Lithium- and manganese-rich (LMR) layered oxides are high-capacity cathode materials that are being considered for electric vehicle (EV) lithium-ion batteries (LIBs). Here, we investigate the electrochemical cycling behavior of cells containing a cobalt-free LMR oxide, 0.3Li 2 MnO 3 ·0.7LiMn 0.5 Ni 0.5 O 2 , paired with either Li or graphite anodes. Two- and three-electrode cells are cycled under varying conditions to examine the effects of oxide activation, upper cutoff voltage, separator type, and electrolyte composition. Post-cycling characterization of harvested electrodes, with electrochemical, X-ray absorption spectroscopy, and solid-state 6 Li nuclear magnetic resonance spectroscopy techniques, are used to correlate cell performance changes with redox state evolution in the oxide and Li inventory shifts in the cell. Our results show that capacity fade and impedance rise primarily originate at the graphite anode and LMR cathode, respectively. Notably, while Ni undergoes reversible redox, Mn shows no evidence of bulk redox activity even in highly-aged electrodes: only relithiated LMR electrodes show some reduction of Mn. Graphite electrodes degrade due to particle isolation and SEI growth, exacerbated by Mn dissolution and deposition on graphite anodes. These findings highlight the coupled structural and electrochemical degradation mechanisms in LMR/graphite cells and underscore lithium inventory retention and electrode interfacial stability as critical factors for enhancing long-term performance.

Badami, Pavan P. [Argonne National Laboratory (ANL↗
NASA NTRS2004

Thermal characteristics of Lithium-ion batteries

Lithium-ion batteries have a very promising future for space applications. Currently they are being used on a few GEO satellites, and were used on the two recent Mars rovers Spirit and Opportunity. There are still problem that exist that need to be addressed before these batteries can fully take flight. One of the problems is that the cycle life of these batteries needs to be increased. battery. Research is being focused on the chemistry of the materials inside the battery. This includes the anode, cathode, and the cell electrolyte solution. These components can undergo unwanted chemical reactions inside the cell that deteriorate the materials of the battery. During discharge/ charge cycles there is heat dissipated in the cell, and the battery heats up and its temperature increases. An increase in temperature can speed up any unwanted reactions in the cell. Exothermic reactions cause the temperature to increase; therefore increasing the reaction rate will cause the increase of the temperature inside the cell to occur at a faster rate. If the temperature gets too high thermal runaway will occur, and the cell can explode. The material that separates the electrode from the electrolyte is a non-conducting polymer. At high temperatures the separator will melt and the battery will be destroyed. The separator also contains small pores that allow lithium ions to diffuse through during charge and discharge. High temperatures can cause these pores to close up, permanently damaging the cell. My job at NASA Glenn research center this summer will be to perform thermal characterization tests on an 18650 type lithium-ion battery. High temperatures cause the chemicals inside lithium ion batteries to spontaneously react with each other. My task is to conduct experiments to determine the temperature that the reaction takes place at, what components in the cell are reacting and the mechanism of the reaction. The experiments will be conducted using an accelerating rate calorimeter (ARC), which uses a heat-wait-search mode until an exothermic reaction is detected. After an exotherm is found the calorimeter maintains an adiabatic environment around a bomb which holds the test sample. The ARC will help identify important reactions and what temperature these exothermic reactions take place at. In order fully understand the battery, we are first going to take apart the battery and test the individual components of the battery using the ARC. I will first conduct a test on the electrolyte solution by itself. We will then test the electrolyte solution with the anode. We would like to see how the electrolyte solution reacts with the anode and its binder material. The next would be the same test using the cathode instead of the anode. By comparing the results of the electrolyte, electrolyte with anode, and the electrolyte with the cathode we can determine the reactions that are taking place due to each component. Using the heat capacity of the each individual sample and the temperature by which the sample increases, kinetic and thermo-dynamical information can then be found. A Gas chromatograph could be used to help with the task of identifying the by-products at the end of each test. One way of increasing the cycle life is to increase the stability of the materials inside the

Hauser, Dan↗
NASA NTRS2010

NASA Aerospace Flight Battery Program: Generic Safety, Handling and Qualification Guidelines for Lithium-Ion (Li-Ion) Batteries; Availability of Source Materials for Lithium-Ion (Li-Ion) Batteries; Maintaining Technical Communications Related to Aerospace Batteries (NASA Aerospace Battery Workshop)

This NASA Aerospace Flight Battery Systems Working Group was chartered within the NASA Engineering and Safety Center (NESC). The Battery Working Group was tasked to complete tasks and to propose proactive work to address battery related, agency-wide issues on an annual basis. In its first year of operation, this proactive program addressed various aspects of the validation and verification of aerospace battery systems for NASA missions. Studies were performed, issues were discussed and in many cases, test programs were executed to generate recommendations and guidelines to reduce risk associated with various aspects of implementing battery technology in the aerospace industry. This report contains the Appendices to the findings from the first year of the program's operations.

Manzo, Michelle A.↗
DOE OSTI2024

Novel One-Step Production of Carbon-Coated Sn Nanoparticles for High-Capacity Anodes in Lithium-Ion Batteries

Lithium-ion batteries offer the highest energy density of any currently available portable energy storage technology. By using different anode materials, these batteries could have an even greater energy density. One material, tin, has a theoretical lithium capacity (994 mAh/g) over three-times higher than commercial carbon anode materials. Unfortunately, to achieve this high capacity, bulk tin undergoes a large volume expansion, and the material pulverizes during cycling, giving a rapid capacity fade. To mitigate this issue, tin must be scaled down to the nano-level to take advantage of unique micromechanics at the nanoscale. Synthesis techniques for Sn nanoparticle anodes are costly and overly complicated for commercial production. A novel one-step process for producing carbon-coated Sn nanoparticles via spark plasma erosion (SPE) shows great promise as a simple, inexpensive production method. The SPE method, characterization of the resulting particles, and their high-capacity reversible electrochemical performance as anodes are described. With only a 10% addition of these novel SPE carbon-coated Sn particles, one anode composition demonstrated a reversible capacity of ~460 mAh/g, achieving the theoretical capacity of that particular electrode formulation. These SPE carbon-coated Sn nanoparticles are drop-in ready for present commercial lithium-ion anode processing and would provide a ~10% increase in the total capacity of current commercial lithium-ion cells.

25 ENERGY STORAGE↗
DOE OSTI2024

Hyperconjugation-controlled molecular conformation weakens lithium-ion solvation and stabilizes lithium metal anodes

Tuning the solvation structure of lithium ions via electrolyte engineering has proven effective for lithium metal (Li) anodes. Further advancement that bypasses the trial-and-error practice relies on the establishment of molecular design principles. Expanding the scope of our previous work on solvent fluorination, we report here an alternative design principle for non-fluorinated solvents, which potentially have reduced cost, environmental impact, and toxicity. By studying non-fluorinated ethers systematically, we found that the short-chain acetals favor the [gauche, gauche] molecular conformation due to hyperconjugation, which leads to weakened monodentate coordination with Li + . The dimethoxymethane electrolyte showed fast activation to >99% coulombic efficiency (CE) and high ionic conductivity of 8.03 mS cm -1 . The electrolyte performance was demonstrated in anode-free Cu$∥$LFP pouch cells at current densities up to 4 mA cm -2 (70 to 100 cycles) and thin-Li$∥$high-loading-LFP coin cells (200–300 cycles). Overall, we demonstrated and rationalized the improvement in Li metal cyclability by the acetal structure compared to ethylene glycol ethers. We expect further improvement in performance by tuning the acetal structure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

The Influence of Mesoscale Particle Structure on the Electrode Degradation and Resultant Electrochemistry of Lithium Ion Cells With Nickel Rich Lithium Nickel Manganese Cobalt Oxide Positive Electrodes

Nickel-rich lithium nickel manganese cobalt oxide, NMC (LiNi x Mn y Co z O 2 ), materials are desirable positive electrodes in lithium ion batteries, providing high capacity and energy density. The mesoscale structure of NMC materials is commonly a polycrystalline aggregate, providing opportunity for short lithium ion transport distance of the small primary particles, yet facile material handling due to the larger secondary particles. On (de)lithiation the NMC unit cell changes volume, where the anisotropic strain can result in secondary particle fracture. This secondary particle fracture process during cycling has been associated with several degradation modes of NMC materials in LIBs. In this work, a milling process was determined whereby the secondary particles could be pre-fractured with retention of the parent primary particle crystallographic structure, crystallite size, and morphology, providing the ability to unambiguously determine the influence of NMC secondary particle size and mesostructure on resultant functional behavior. The bulk and interfacial properties and electrochemistry of as-received commercially obtained polycrystal NMC811 (LiNi 0.8 Mn 0.1 Co 0.1 O 2 , PC NMC) and its milled MPC NMC counterpart were compared. The smaller secondary particle size, higher surface area MPC NMC was found to result in 1) greater cathode tortuosity, 2) reduced surface Ni on the cycled MPC cathodes consistent with surface reconstruction, and 3) increased Ni deposition on the anodes from cathode-anode crosstalk. These factors manifested in unfavorable electrochemical behavior of MPC with lower functional capacity at both 1C and C/10 rates and higher impedance over extended moderate voltage (dis)charge cycling.

36 MATERIALS SCIENCE↗
DOE OSTI2025

High spatial resolution neutron imaging of lithium-ion batteries: Correlating microstructure and lithium transport

Thick electrodes for lithium-ion batteries can increase the overall energy density, but increasing the electrode thickness introduces charge transport limitations. These limitations may be mitigated through proper electrode structuring. Here, high spatial resolution neutron imaging was used to understand the correlation between microstructure and lithium transport in lithium-ion anodes. Batteries with distinct graphite anode microstructures were produced and studied with high spatial resolution in operando neutron radiography to observe the effects of structure on transport. High spatial resolution neutron computed tomography was performed following in operando neutron radiography. X-ray computed tomography and scanning electron microscopy were used to observe the finer scale anode structure to complement neutron imaging. Solvent-free anodes containing a tightly-packed layered structure confined lithium movement close to the separator. This structure limited capacity, but supported better rate capability. Conversely, a more open pore structure in the wet cast anodes yielded higher capacity with reduced rate capability. Together, these results show that lithium distributions can be controlled by the macroscopic structure of the electrodes, the microstructural pore network, and the microscale active areas that support electrochemical reactions. Furthermore, multimodal imaging applying the complementary strengths of neutron and X-ray methods is shown as a tool for advancing battery design.

25 ENERGY STORAGE↗
DOE OSTI2024

SEI Formation and Lithium-Ion Electrodeposition Dynamics in Lithium Metal Batteries via First-Principles Kinetic Monte Carlo Modeling

The stabilization and enhanced performance of lithium metal batteries (LMBs) depend on the formation and evolution of the Solid Electrolyte Interphase (SEI) layer as a critical component for regulating the Li metal electrodeposition processes. This study employs a first-principles kinetic Monte Carlo (kMC) model to simulate the SEI formation and Li + electrodeposition processes on a lithium metal anode, integrating both the electrochemical electrolyte reduction reactions and the diffusion events giving place to the SEI aggregation processes during battery charge and discharge processes. The model replicates the competitive interactions between organic and inorganic SEI components, emphasizing the influence of the cycling regime. Results indicate that grain boundaries within the SEI facilitate faster lithium-ion transport compared to crystalline regions, crucial for improving the performance and stability of LMBs. The findings underscore the importance of dynamic SEI modeling for further development of next-generation high-energy-density batteries.

25 ENERGY STORAGE↗
NASA NTRS2014

Performance and Safety of Lithium-ion Capacitors

Lithium-ion capacitors (LIC) are a recent innovation in the area of supercapacitors and ultracapacitors. With an operating voltage range similar to that of lithium-ion batteries and a very low selfdischarge rate, these can be readily used in the place of batteries especially when large currents are required to be stored safely for use at a later time.

Jeevarajan, Judith A.↗