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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Fine‐Tuning Li‐Ion Solvation Structure by Enhanced Solvent‐Diluent Interactions for Long‐Cycling Lithium Metal Batteries

Achieving durable lithium (Li) metal anodes in liquid electrolytes remains challenging, primarily due to the instability of the formed solid-electrolyte interphases (SEIs). Modulating the Li-ion solvation structures is pivotal in forming a stable SEI for stabilizing Li metal anodes. Here a strategy is developed to fine-tune the Li-ion solvation structures through enhanced dipole–dipole interactions between the Li-ion-coordinated solvent and the non-Li-ion-coordinating diluent, for creating a stable SEI in the developed binary salt electrolyte. The enhanced dipole–dipole interactions weaken the coordination between Li-ions and the solvents while strengthening the interaction between Li-ions and dual anions, thereby facilitating the Li-ion transport and a robust anion-derived SEI with a distinct bilayer structure. Consequently, the developed electrolyte exhibited exceptional electrochemical performance in high energy-density Li||LiNi 0.8 Mn 0.1 Co 0.1 O 2 (NMC811) cells, with long calendar life, stable cyclability at 1 C, and reliable operation between 25 and −20 °C, and it also demonstrat remarkable cycling stability for a Li||NMC811 pouch cell with projected energy density of 402 Wh kg −1 , maintaining 80% capacity retention over 606 cycles under practical conditions.

25 ENERGY STORAGE↗
DOE OSTI2020

Localized High Concentration Electrolytes for High Voltage Lithium-Metal Batteries: Correlation between the Electrolyte Composition and Its Reductive/Oxidative Stability

We demonstrate a first-principles screening methodology as an effective tool to explore electrolyte formulations for the new generation of high energy density rechargeable batteries. We study the liquid structure and electronic properties in dilute electrolytes, high concentration electrolytes (HCE), and localized high concentration electrolytes (LHCE), with focus on electrolyte formulations based on lithium bis(fluorosulfonyl)imide (LiFSI), dimethyl carbonate (DMC), and bis(2,2,2-trifluoroethyl) ether (BTFE) as a diluent. We describe the solvation complexes in the dilute electrolyte and explore structural changes triggered by the increase in lithium salt concentration for HCEs and the diluent effects in LHCEs. In HCE formulations, there is a 4-fold coordination environment of lithium-ions as in the dilute electrolyte, but the number of lithium-ion interactions with O atoms from FSI- anions dominates. In these solutions, the ability of the FSI- anions to interact with multiple lithium-ions allows complex 3D network formation and influences the reductive/oxidative behavior of the electrolyte. Interestingly, in LHCEs, the BTFE diluent molecules do not change the 3D solution structure when diluting the HCE formulation from 5.49 to 3.83 M. However, there is a composition threshold where the structural and electronic behavior may change. We show that diluting the HCE electrolyte with BTFE down to 1.77 M breaks the three-dimensional solution structure into an island-like solvation complex. We relate these structural changes to the electronic properties of the electrolytes finding a causal relationship between the reductive/oxidative behavior and the lithium-oxygen interaction mechanisms in the solvated complexes. The coordination with lithium-ions lowers the electrolyte LUMO and HOMO levels: the higher is the number of interactions with lithium-ions, the more likely the solvent molecule, FSI- anion, or diluent molecule is to be reduced and the less likely it is to become oxidized. The evolution of the solvated ion structure in HCE and LHCE suggests a close connection to a corresponding change in the lithium-ion transport mechanisms for these electrolytes.

anions, molecules, oxygen, solvents, electrolytes↗
DOE OSTI2023

Unraveling the impact of the degree of dry mixing on dry-processed lithium-ion battery electrodes

Dry processing of lithium-ion battery electrodes facilely realizes the powder-to-film manner, which is thus regarded as a highly promising strategy for lithium-ion battery manufacturing. However, a fundamental understanding of the impact of the involved dry mixing is still rarely reported. In this work, the degree of dry mixing is monitored by the dry mixing time, and a set of dry-processed electrodes with different degree of dry mixing is accordingly prepared and comprehensively studied. This work novelly reveals that the degree of dry mixing exhibits pronounced impact on the morphology, the homogeneity of electrode components and the degree of PTFE fiberization, which leads to difference in the mechanical strength and electrochemical performance of dry-processed electrodes. Accordingly, it is suggested that a moderate degree of dry mixing is preferred for high-performance dry-processed lithium-ion battery electrodes.

25 ENERGY STORAGE↗
DOE OSTI2025

High tensile alloy of copper to mitigate current collector deformation in silicon electrodes for lithium-ion batteries

The volumetric changes of silicon electrodes, along with the strong adhesive properties of certain binders, can lead to plastic deformation of the current collector and create damage in the electrode coating. Here, in this study, we report a detailed study of silicon coatings on a high-tensile alloy (HTA) foil of copper with strength over twice that of conventional copper foils. The HTA current collectors with high mechanical strength can mitigate plastic deformation upon continuous cycling. At moderate areal capacities (2.5–3 mAh cm −2 ), conventional copper foils show significant wrinkling after only a few electrochemical cycles, whereas the HTA foils remain intact. We demonstrate viability of the HTA foils in large format xx6395 pouch cells, in which the HTA current collectors remain intact even at an areal capacity of 4.5 mAh cm −2 ; in contrast, wrinkles form in conventional copper current collectors increasing the likelihood of lithium plating. Computational studies show that stresses generated during cycling of silicon electrodes are very high in the current collector and at the current collector-coating interface, explaining the wrinkling of conventional Cu foils. Our studies highlight importance of current collector to solve the electrochemical and chemo-mechanical performance challenges associated with high-loading silicon electrodes.

Chemo-mechanical degradation↗
NASA NTRS2022

Lithium-ion Battery Strain Gauge Monitoring and Depth of Discharge Estimation

Lithium-ion battery diagnostics and prognostics rely on measurements of electrical impedance, capacity, and voltage to infer the internal state of the battery. Mechanical changes to the cell structure represent an additional measure of the battery’s state because these changes are related to the overall battery health. As lithium-ion batteries are charged and discharged, lithium ions are inserted or removed from the anode and cathode, a process called intercalation and de-intercalation. As lithium ions intercalate and de-intercalate, they can cause changes to the lattice of the electrode particles, resulting in volumetric changes. These volumetric changes cause mechanical stresses and strains on the lithium-ion battery electrodes, and subsequently, the whole cell’s thickness varies as it is charged and discharged. This paper presents a study on the use of surface-mounted strain gauges for in-situ measurement of structural changes to lithium-ion batteries, along with a characterization of the unit-to-unit differences in strain response. A neural network modeling structure is then used to predict the battery’s depth of discharge under dynamic discharge conditions.

Lithium-ion batteries, depth of discharge, strain ↗
DOE OSTI2023

Calendar life of lithium metal batteries: Accelerated aging and failure analysis

Lithium metal batteries (LMBs) are prime candidates for next-generation energy storage devices characterized by their remarkable energy storage capabilities. Despite the importance of understating the calendar aging impacts in LMBs, cycle life and calendar life have received inconsistent attention across various research and development stages. For acceptance into an application, especially electric vehicles, batteries are required to have sufficient calendar life to ensure performance over the life of vehicles which often experience extended periods of inactivity. In this study, an in-depth exploration into the calendar aging of LMB (Li/ Li[Ni 0.8 Mn 0.1 Co 0.1 ]O 2 in pouch cell format) is conducted. Specifically, the impact of calendar aging factors, state-of-charge (SOC), temperature, pressure, and operating conditions (open-circuit voltage, OCV and constant voltage, CV) on the surface morphology and thickness change rate in lithium metal anode is investigated. Notably, the results show that storing LMB pouch cells at an OCV, 80 % SOC, 25 °C, and 10 psi external pressure leads to a <1% reduction in capacity over 18 months. The results also suggest routes which can be utilized in the future for accelerated aging without altering the primary degradation modes. The results also show an accelerated calendar aging at high temperatures (45 °C), 100 % SOC, and CV suggesting they may serve as key accelerated aging methods for future studies. During calendar aging, pressure mitigates dendrite growth and extends calendar life. In conclusion, the insights from this study reinforce the viability of LMBs as a compelling solution for addressing increased energy storage needs in real-world applications.

25 ENERGY STORAGE↗
DOE OSTI2023

Safety perceptions of solid-state lithium metal batteries

Safety concerns hamper the wide application of lithium-ion batteries (LIBs) in the fields of electric vehicles and stationary energy storage. As the blame of the battery thermal runway was widely cast on the flowable, volatile, and flammable nature of liquid organic electrolytes, solid-state lithium batteries with solid and nonflammable electrolytes are highly praised for potentially better safety characteristics. Furthermore, solid-state lithium metal batteries (SS-LMBs) may become an ultimate solution for safe, high-energy density batteries. Whether SS-LMBs are safe enough to meet emerging demands remains unclear, as recent publications have presented serious safety concerns at both the material and device levels. In conclusion, this review summarizes recent investigations into SS-LMB safety, and systematic analysis and discussion are provided in this discussion of the safety concerns of SS-LMBs.

25 ENERGY STORAGE↗
DOE OSTI2019

Theoretical Calculation Guided Design of Single-Atom Catalysts toward Fast Kinetic and Long-Life Li–S Batteries

Lithium–sulfur (Li–S) batteries are enticing next-generation energy storage technologies due to their high theoretical energy density, environmental friendliness, and low cost. Yet, low conductivity of sulfur species, dissolution of polysulfides, poor conversion from sulfur reduction, and lithium sulfide (Li 2 S) oxidation reactions during discharge–charge processes hinder their practical applications. Herein, under the guidance of density functional theory calculations, we have successfully synthesized large-scale single atom vanadium catalysts seeded on graphene to achieve high sulfur content (80 wt % sulfur), fast kinetic (a capacity of 645 mAh g –1 at 3 C rate), and long-life Li–S batteries. Both forward (sulfur reduction) and reverse reactions (Li 2 S oxidation) are significantly improved by the single atom catalysts. This finding is confirmed by experimental results and consistent with theoretical calculations. The ability of single metal atoms to effectively trap the dissolved lithium polysulfides (LiPSs) and catalytically convert the LiPSs/Li 2 S during cycling significantly improved sulfur utilization, rate capability, and cycling life. Our work demonstrates an efficient design pathway for single atom catalysts and offers solutions for the development of high energy/power density Li–S batteries.

25 ENERGY STORAGE↗
DOE OSTI2023

Electrospinning of PVdF-HFP: novel composite polymer electrolytes (CPES) with enhanced ionic conductivities for lithium-sulfur batteries

The invention relates to lithium ion batteries and, more particularly, to lithium ion conducting composite polymer electrolyte separators. The separators include a nanofiber mat composed of electrospun nanofibers. The nanofibers include a polymer having one or more polar halogen groups, a lithium-containing solid or liquid electrolyte and nanoparticle filler. The polymer, electrolyte and filler are combined to form a solution that is subjected to the electro-spinning process to produce electrospun nanofibers in the form of the mat.

Kumta, Prashant N.↗
DOE OSTI2020

Correlating capacity fade with film resistance loss in fast charging of lithium-ion battery

Fast charging of lithium-ion (Li-ion) batteries makes it susceptible to lithium plating. Here, we report the correlation between capacity loss and cell impedance changes in the battery due to lithium electrodeposition. Li-ion pouch cells with nickel-manganese-cobalt cathode and graphite anode were charged at rates varying from 0.5C to 6C. The cell voltage evolution immediately after charging was monitored to identify the C-rates that result in lithium plating. Electrochemical impedance spectroscopy (EIS) was used to monitor the cell impedance evolution. The impedance of battery cells at C-rates lower than 1C and no lithium plating showed minimal changes from their baseline values in the period immediately after charging. However, the impedance of battery cells undergoing lithium plating and C-rates higher than 3C showed a substantial reduction immediately after charging, with recovery back to baseline values after 30 min of relaxation. These observations suggest that lithium plating causes damage to the solid electrolyte interface (SEI) layer on the anode particles during the charging period, followed by the reformation of the SEI during the relaxation period. The measured capacity loss has a linear correlation with observed impedance change. The linear relationship suggests that impedance monitoring may be used for prognostication of the state-of-health of Li-ion batteries.

25 ENERGY STORAGE↗
DOE OSTI2024

Efficient recovery processes for the black mass from spent lithium-ion batteries

A method of recycling lithium-ion batteries is disclosed. The method includes isolating a composite electrode that comprises an electrode material adhered to a current collector with a polyvinylidene difluoride (PVDF) binder from a spent lithium-ion battery. The method also includes contacting the composite electrode in a polyol fluid capable of releasing the PVDF binder from the current collector without substantially altering either component. The composite electrode may be a cathode or an anode. The method also includes rapidly delaminating the electrode material from the current collector to give a free electrode material and a free current collector, and recovering each of the free electrode material and the free current collector from the mixture. The free electrode material may be reused to prepare another composite electrode, as well as a lithium-ion battery comprising the same, which are also disclosed.

Belharouak, Ilias↗
DOE OSTI2023

The Relationship between Ionic Conductivity and Solvation Structures of Localized High-Concentration Fluorinated Electrolytes for Lithium-Ion Batteries

Localized high concentration electrolyte (LHCE) combines a diluent with high concentration electrolyte (HCE), offering promising properties. The ions, solvent, and diluent interact to form a complex heterogenous liquid structure, where high salt concentration clusters are embedded in diluent. Optimizing LHCE for desired electrolyte properties like high ionic conductivity, low viscosity, effective solid electrolyte interphase (SEI) formability, within the vast chemical and compositional design space requires deeper understanding and theoretical guidance. For this work, we investigated the structures and conductivity of LHCEs based on a fluorinated solvent with two different diluents at varying concentrations. The 2,2,3,3-tetrafluoropropyl trifluoroacetate (TFPTFA) enters the solvation cluster due to its stronger Li-ion interactions, whereas 1,1,2,2-tetrafuoroethyl 2,2,2-trifuoroethyl ether (TFETFE) enters only at extremely high diluent concentrations. The ionic conductivity increases with decreasing diluent concentrations, with a slope change during cluster percolation. Overall, TFETFE demonstrates higher effectiveness than TFPTFA, forming higher local salt concentration clusters, and resulting in higher ionic conductivity.

cluster chemistry↗
DOE OSTI2020

A practical phosphorus-based anode material for high-energy lithium-ion batteries

State-of-the-art lithium-ion batteries cannot satisfy the increasing energy demand worldwide because of the low specific capacity of the graphite anode. Silicon and phosphorus both show much higher specific capacity; however, their practical use is significantly hindered by their large volume changes during charge/discharge. Although significant efforts have been made to improve their cycle life, the initial coulombic efficiencies of the reported Si-based and P-based anodes are still unsatisfactory (<90%). In this study, by using a scalable high-energy ball milling approach, we report a practical hierarchical micro/nanostructured P-based anode material for high-energy lithium-ion batteries, which possesses a high initial coulombic efficiency of 91% and high specific capacity of ~2500 mAh g –1 together with long cycle life and fast charging capability. In situ high-energy X-ray diffraction and in situ single-particle charging/discharging were used to understand its superior lithium storage performance. Moreover, proof-of-concept full-cell lithium-ion batteries using such an anode and a LiNi 0.6 Co 0.2 Mn 0.2 O 2 cathode were assembled to show their practical use. The findings presented here can serve as a good guideline for the future design of high-performance anode materials for lithium-ion batteries.

25 ENERGY STORAGE↗
DOE OSTI2023

Fire Protection Engineering Technical Report for Electric Vehicles and Lithium-Ion Batteries

This fire protection engineering technical report discusses and presents the properties, data, and safety of select lithium-ion batteries. Lithium-ion batteries have increased in usage and a fire scenario analysis must be created for each situation where they may be introduced in buildings to determine the risk associated if a battery failure were to occur.

25 ENERGY STORAGE↗