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Results for “Lithium Anode”

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 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Upcycling Polyethylene Waste to Advanced Carbon Materials for Energy Storage Applications

Polyethylene is notoriously difficult to upcycle because it decomposes into light gases at approximately 350-400 °C which prevents processing it at higher temperatures to convert it into high-value carbon materials, such as graphene or graphite. We address this challenge by using an air-based, thermo-oxidation process, which heats polyethylene (PE) just below the decomposition point to initiate oxidation and cross-linking of PE alkyl chains. These molecular transformations allow PE to be further graphenized or graphitized at higher temperatures without decomposing. The PE-derived graphene has a specific surface area up to 1,800 m 2/g and Raman ID/IG ratio of 0.85, which enables it to be used as an electrode material for a symmetric supercapacitor with the 1 M H2SO4 electrolyte. The PE-derived graphene material has a comparable electrochemical capacitive performance, such as power density, specific capacitance, and long cycle stability, to the commercial state of art porous carbon electrode. The stabilized PE could also be converted into highly crystalline flake graphite via low-temperature catalytic graphitization. The PE-derived graphite is used for the lithium-ion battery anode, which showed comparable electrochemical battery performance, such as reversible rate performance and long-term cyclic stability, to the current use battery-grade graphite, thus providing a scalable method to upcycle PE plastic waste into high-value carbon material.

Gao, Yuan↗
NASA NTRS1992

Long cycle life rechargeable lithium batteries

Cycle life and safety of delta-LiAl/TiS2 cells were evaluated using laboratory and AA-size cells. Analysis of the alloys (which contained 60, 70, 80, or 85 wt-pct. lithium and are designated 60 LiAl etc.) showed them to contain a mixture of elemental Li and Al4Li9. Cycling efficiencies correlated with the amount of free lithium in the anode. Using an electrolyte with the composition 48 v/o THF:48 v/o 2-MeTHF:4 v/o 2-MeF/LiAsF6(1.5M), a 70 LiAl/TiS2 laboratory cell yielded a cycling efficiency of 96.4 pct. when cycled at a 100 pct. discharge depth which compares well with Li anode cycling efficiencies of 96 to 97.5 pct. obtained previously in this electrolyte. The highest cycling efficiency of any delta-LiAl/TiS2 laboratory cell was 96.7 pct. when the 60 LiAl alloy was used with the 35 v/o PC:35 v/o EC:30 v/o triglyme/LiAsF6(1.0M) electrolyte. The 70 LiAl alloy was selected for further testing in AA cells since it was malleable for the fabrication of spirally wound electrodes, and its overall cycling performance was sufficiently good. AA-size 70 LiAl/TiS2 cells appear to have capacity/rate properties similar to those for identical Li/TiS2 cells. The use of the delta-LiAl alloy anodes does not appear to offer any safety advantage when cycled cells are shorted or heated.

Pasquariello, D. M.↗
NASA NTRS1993

Alkali metal carbon dioxide electrochemical system for energy storage and/or conversion of carbon dioxide to oxygen

An alkali metal, such as lithium, is the anodic reactant; carbon dioxide or a mixture of carbon dioxide and carbon monoxide is the cathodic reactant; and carbonate of the alkali metal is the electrolyte in an electrochemical cell for the storage and delivery of electrical energy. Additionally, alkali metal-carbon dioxide battery systems include a plurality of such electrochemical cells. Gold is a preferred catalyst for reducing the carbon dioxide at the cathode. The fuel cell of the invention produces electrochemical energy through the use of an anodic reactant which is extremely energetic and light, and a cathodic reactant which can be extracted from its environment and therefore exacts no transportation penalty. The invention is, therefore, especially useful in extraterrestrial environments.

Hagedorn, Norman H.↗
NASA NTRS2003

Attachment of Single-wall Carbon Nanotubes (SWNTs) on Platinum Surfaces by Self-Assembling Techniques

Single-wall carbon nanotubes (SWNTs) are very interesting materials because of their morphology, electronic and mechanical properties. Its morphology (high length-to-diameter ratio) and electronic properties suggest potential application of SWNTs as anode material for lithium ion secondary batteries. The introduction of SWNTs on these types of sources systems will improve their performance, efficiency, and capacity to store energy. A purification method has been applied for the removal of iron and amorphous carbon from the nanotubes. Unpurified and purified SWNTs were characterized by transmission electron microscopy (TEM), and thermogravimetric analysis (TGA). In order to attach carbon nanotubes on platinum electrode surfaces, a self-assembled monolayer (SAM) of 4-aminothiophenol (4-ATP) was deposited over the electrodes. The amino-terminated SAM obtained was characterized by cyclic voltammetry, X-ray photoelectron spectroscopy (XPS), and Fourier-transforms infrared (FTIR) spectroscopy. Carbon nanotubes were deposited over the amino-terminated SAM by an amide bond formed between SAM amino groups and carboxylic acid groups at the open ends of the carbon nanotubes.This deposition was characterized using Raman spectroscopy and Scanning Electron microscopy (SEM).

Rosario-Castro, Belinda I.↗
NASA NTRS2007

High-Energy-Density, Low-Temperature Li/CFx Primary Cells

High-energy-density primary (nonrechargeable) electrochemical cells capable of relatively high discharge currents at temperatures as low as -40 C have been developed through modification of the chemistry of commercial Li/CFx cells and batteries. The commercial Li/CFx units are not suitable for high-current and low-temperature applications because they are current limited and their maximum discharge rates decrease with decreasing temperature. The term "Li/CFx" refers to an anode made of lithium and a cathode made of a fluorinated carbonaceous material (typically graphite). In commercial cells, x typically ranges from 1.05 to 1.1. This cell composition makes it possible to attain specific energies up to 800 Wh/kg, but in order to prevent cell polarization and the consequent large loss of cell capacity, it is typically necessary to keep discharge currents below C/50 (where C is numerically equal to the current that, flowing during a charge or discharge time of one hour, would integrate to the nominal charge or discharge capacity of a cell). This limitation has been attributed to the low electronic conductivity of CFx for x approx. 1. To some extent, the limitation might be overcome by making cathodes thinner, and some battery manufacturers have obtained promising results using thin cathode structures in spiral configurations. The present approach includes not only making cathodes relatively thin [.2 mils (.0.051 mm)] but also using sub-fluorinated CFx cathode materials (x < 1) in conjunction with electrolytes formulated for use at low temperatures. The reason for choosing sub-fluorinated CFx cathode materials is that their electronic conductivities are high, relative to those for which x > 1. It was known from recent prior research that cells containing sub-fluorinated CFx cathodes (x between 0.33 and 0.66) are capable of retaining substantial portions of their nominal low-current specific energies when discharged at rates as high as 5C at room temperature. However, until experimental cells were fabricated following the present approach and tested, it was not known whether or to what extent low-temperature performance would be improved.

Whitacre, Jay↗
NASA NTRS2014

Method of Forming Textured Silicon Substrate by Maskless Cryogenic Etching

Disclosed herein is a textured substrate comprising a base comprising silicon, the base having a plurality of needle like structures depending away from the base, wherein at least one of the needle like structures has a depth of greater than or equal to about 50 micrometers determined perpendicular to the base, and wherein at least one of the needle like structures has a width of less than or equal to about 50 micrometers determined parallel to the base. An anode and a lithium ion battery comprising the textured substrate, and a method of producing the textured substrate are also disclosed.

Yee, Karl Y.↗
DOE OSTI2021

Lithium metal synthesis

System and methods for producing lithium metal from an anodic half-cell and a cathodic half-cell with a lithium permeable membrane therebetween.

Hryn, John N.↗
DOE OSTI2022

Characterizing Dynamic Structure in Battery Electrodes by Time-Resolved Cryo-TEM

In recent years, cryogenic transmission electron microscopy (cryo-TEM) has enabled high-resolution characterization of sensitive battery materials by minimizing electron beam-induced artifacts and damage. Success of this technique relies on the preparation of thin, rapidly frozen samples, generally by disassembling batteries under inert atmosphere, transferring materials of interest to a TEM grid, and finally plunge freezing into a cryogen. In material degradation studies, this extensive time between electrochemical cycling and cryo-TEM characterization leaves room for structural relaxation, diffusion, and other dynamic processes that make it difficult to precisely correlate the imaged structure with the native structure that evolves during battery cycling or aging. Here, we present a method to integrate battery cycling with fast preparation of electrode samples for cryo-TEM. This enables higher fidelity between the structures characterized and the electrochemical state of interest, which we use to study deformation in silicon nanoparticle anodes for lithium-ion batteries.

CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS↗
DOE OSTI2023

Characterization of Annealing-Induced Phase Segregation in Composite Silicon Anodes for Li-ion Batteries

Silicon (Si) anodes present a promising alternative to graphite anodes for lithium-ion batteries (LIBs), as Si has a greater specific capacity. However, one major constraint is the volumetric change of Si during lithiation that results in an unstable solid-electrolyte interphase (SEI), so Si-containing electrodes require the use of various strategies to mitigate these effects and improve performance. One such solution is the use of Si nanoparticles (NPs) that maximize the surface area to volume ratio. Here, we discuss electrodes made with Si NPs treated with polyethylene oxide (PEO) (for improving dispersion during processing), conductive carbon NPs, and P84 polyimide binder which shows significant impacts of annealing treatment on improvements of active material utilization, first cycle efficiency, and capacity retention with extensive cycling . We used air-free argon ion polishing to create electrode cross sections and imaged through the electrode thickness using atomic force microscopy (AFM)-based nano-electrical characterization of scanning spreading resistance microscopy (SSRM), nano-mechanical characterizations of contact resonance and force volume (CR-FV), and scanning electron microscopy-based energy dispersive x-ray spectroscopy (SEM-EDS). Results show that the Si and conductive carbon segregate into phases with a distinctive carbon-rich banded morphology that surrounds the Si-rich phase during annealing. In pristine electrodes, the carbon- and SEI-rich bands exhibit a higher electronic conductivity and a lower elastic modulus than the Si active material phase. These structures, as well as distinct electronic and mechanical properties, remain during cycling, suggesting an improvement of electrical conduction pathways and a mechanical strain buffer for active Si material expansion during cycling. This phase separation may be a major factor in the improvement seen in electrochemical performance due to annealing. Additionally, our nm-scale and multi-mode characterizations provide a novel route for understanding and improving energy storage devices, which is advantageous due to the highly inhomogeneous of composite electrodes in nm-mm scales.

ENERGY STORAGE↗
DOE OSTI2024

Sucrose‐Based Dense, Pure, and Highly‐Crystalline Graphitic Materials for Lithium‐Ion Batteries

At present, most synthetic graphite materials commonly used as anode active ingredients in lithium-ion cells are produced by graphitization of petroleum cokes. The carbon footprint associated with synthetic graphite production is significant. Thus, bio-derived and cheap precursors, such as saccharides, would be an attractive alternative for the sustainable production of graphitic carbons. However, they are non-graphitizing at temperatures as high as 3000 °C, preserving the curved, fullerene-like structure of graphene layers and microporosity. Consequently, many lithium ions are consumed during the formation of solid electrolyte interphase films and passivated in the nanovoids. Here, a method for the production of pure, crystalline, graphitic materials based on sucrose disposed of microporosity is presented, which also works with a variety of saccharides and other organic precursors of hard carbons—generally considered incapable of such transformation. This process employs catalytic graphitization by Si particles at high temperatures. Finally, the electrochemical response of such derived sucrose-based graphite in Li-ion half-cells demonstrated its feasibility to serve as an anode active material for rechargeable Li-ion batteries.

Si particles↗
DOE OSTI2024

Low-cost iron trichloride cathode for all-solid-state lithium-ion batteries

The dominant chemistries of lithium-ion batteries on the market today still rely on flammable organic liquid electrolytes and cathodes containing scarce metals, such as cobalt or nickel, raising safety, cost and environmental concerns. Here we show a FeCl 3 cathode that costs as little as 1% of the cost of a LiCoO 2 cathode or 2% of a LiFePO 4 cathode. Once coupled with a solid halide electrolyte and a lithium-indium (Li–In) alloy anode, it enables all-solid-state lithium-ion batteries without any liquid components. Notably, FeCl 3 exhibits two flat voltage plateaux between 3.5 and 3.8 V versus Li + /Li, and the solid cell retains 83% of its initial capacity after 1,000 cycles with an average Coulombic efficiency of 99.95%. Combined neutron diffraction and X-ray absorption spectroscopy characterizations reveal a Li-ion (de)intercalation mechanism together with a Fe 2+ /Fe 3+ redox process. Further, our work provides a promising avenue for developing sustainable battery technologies with a favourable balance of performance, cost and safety.

25 ENERGY STORAGE↗
DOE OSTI2022

Analytical and Numerical Analysis of Lithium Plating Onset in Single and Bilayer Graphite Electrodes during Fast Charging

Lithium plating is commonly observed in anodes charged at fast rates, and can lead to capacity loss and battery safety issues. The increased risk of plating has been attributed to transport limitations, and architectured electrodes may reduce plating risk. However, while theoretical studies have shown that reaction non-uniformity arises due to interplay of transport limitations, anode open circuit voltage behavior and reaction kinetics, its effect on lithium plating has not been studied. We use analytic and numerical simulations to predict onset of plating in graphite anode half-cells at high C-rates and demonstrate how anodes with layered porosities can delay plating. Simplified analytical models identify trends for plating onset and predictions are calibrated against numerical models. A calibrated numerical model of graphite demonstrates qualitative agreement with analytical model predictions. This reaction inhomogeneity mechanism occurs in the absence of lithium ion depletion, indicating that these mechanisms may contribute to capacity loss independently or simultaneously. A bilayer model of graphite exhibits delayed plating onset, and an optimization procedure is presented. This theoretical work presents quantitative and mechanistic insight on how reaction inhomogenity affects lithium metal plating onset and can be used as a guide to engineer anodes resistant to lithium plating.

Mijailovic, Aleksandar S.↗
DOE OSTI2022

Interplay of Electrode Heterogeneity and Lithium Plating

Lateral microstructure heterogeneity in anodes is known to induce nonuniform current density, state of charge, and lithium plating. This means that such electrode heterogeneity can limit the fast charging of lithium-ion batteries. In this work, a combination of experiments and simulation is employed to understand the effect of mm scale lateral heterogeneity on cell aging. A previously developed model was extended to efficiently simulate SEI formation and Li plating for independent regions of an electrode. The model consists of three parallel regions each described under a P2D framework and with a distinct ionic resistance and possibly active material loading. The results suggest that during fast charge when the active material is uniformly distributed across the three regions, the region with the highest resistance reaches the end of life sooner than the other regions. There is also positive feedback from Li metal filling the pores near the separator interface that further accelerates lithium plating. Lastly, when there is a non-uniform active material distribution associated with the ionic resistance heterogeneity, tight competition between regions can occur, leading to less overall lithium plating and plating that is more uniform between regions.

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

Insights into lithium ion deposition on lithium metal surfaces

Lithium metal is among the most promising anodes for the next generation of batteries due to its high theoretical energy density and high capacity. Challenges such as extreme reactivity and lithium dendrite formation have kept lithium metal anodes away from practical applications. However, the underlying mechanisms of Li ion deposition from the electrolyte solution onto the anode surface are still poorly understood due to their inherent complexity. In this work, density functional theory calculations and thermodynamic integration via constrained molecular dynamics simulations are conducted to study the electron and ion transfer between lithium metal slab and the electrolyte in absence of an external field. Here, we explore the effect of the solvent chemistry and structure, distance of the solvated complex from the surface, anion–cation separation, and concentration of Li-salts on the deposition of lithium ions from the electrolyte phase onto the surface. Ethylene carbonate (EC), 1,2-dimethoxyethane (DME), 1,3-dioxolane (DOL), and mixtures of them are used as solvents. These species compete with the salt anion and the Li cation for electron transfer from the surface. It is found that the structure and properties of the solvation shell around the lithium cation has a great influence on the ability of the cation to diffuse as well as on its surrounding electron environment. DME molecules allow easier motion of the lithium ion compared with EC and DOL molecules. The slow growth approach allows the study of energy barriers for the ion diffusion and desolvation during the deposition pathway. This method helps elucidating the underlying mechanisms on lithium-ion deposition and provides a better understanding of the early stages of Li nucleation.

25 ENERGY STORAGE↗
NASA NTRS1995

New Anode Material for Rechargeable Li-ION Cells

Carbon materials, such as graphite, cokes, pitch and PAN fibers, are being evaluated in lithium batteries as alternate anode materials with some degree of success. There is an effort to look for other non-carbon anode materials which have larger Li capacity, higher rate capability, smaller first charge capacity loss and better mechanical stability during cycling. A Li-Mg-Si material is evaluated.

rechargeable batteries anode materials Li-ION cell↗
DOE OSTI2023

Dicarbonyl Electrolyte for High-Voltage Lithium Metal Batteries: Importance of the Entropy of Solvation in Bidentate Solvent

An electrolyte system based on dicarbonyl solvents has been proposed and implemented in lithium metal batteries (LMBs). Among several dicarbonyl solvents explored, dimethyl dicarbonate (DMDC) emerged as the most promising electrolyte candidate. Interestingly, despite the structural similarities between DMDC and its monocarbonyl counterpart DMC, the DMDC electrolyte exhibits higher solvent coordination, even at the same lithium-to-carbonyl ratio. Further, this leads to the formation of a more robust solid-electrolyte interphase and enhances the anodic stability of the electrolyte. Notably, in various electrolyte systems, the solvation energy is typically enthalpy-driven. However, the bidentate nature of DMDC introduces a significant role for the entropy of solvation because the Li + -DMDC complexes release fewer free molecules. With the addition of non-solvating co-solvent 1,1,2,2-tetrafluoro-ethyl 2,2,3,3-tetrafluoro-propyl ether (TTE), which reduces the viscosity of the electrolyte, the DMDC-TTE system enables remarkably stable cycling of the lithium anode by manipulating the entropy of solvation. This introduces a new strategy for tailoring functional electrolyte systems.

25 ENERGY STORAGE↗
NASA NTRS2022

The Promise of Alloy Anodes for Solid-State Batteries

Solid-state batteries are anext-generation technology that could featureimproved safety and energy density, but reliably integrating high-capacity electrode materials to enable high energy while retaining stablelong-termcycling remains a challenge. Anode materials that alloy with lithium, such as silicon, tin, and aluminum,offer high capacity that canyield high-energy battery cells. The use of alloy anodes in solid-state batteries potentially offers major mechanistic benefits compared to other anode contendersand battery systems, such as lithium metal in solid-state architectures or alloys in liquid-electrolyte batteries. This perspective discusseskey advantagesof alloy anode materials for solid-state batteries, including the avoidance of the short circuiting observed with lithium metal and the chemo-mechanical stabilization of the solid-electrolyte interphase (SEI). We further discuss open research questions and challenges in engineering alloy-anode-based solid-state batteries, with the goal of advancing our understanding and control of alloy anode materialswithin solid-state architectures toward commercial application.

John A Lewis↗
DOE OSTI2025

Comparative Analysis via CFD Simulation on the Impact of Graphite Anode Morphologies on the Discharge of a Lithium-Ion Battery

The morphology of electrode materials plays a crucial role in determining the performance of lithium-ion batteries. Traditional computational models often simplify graphite flakes as uniformly sized spheres, which limits their predictive accuracy. In this study, we present a computational workflow that overcomes these limitations by incorporating a more realistic representation of graphite morphologies. This workflow is designed to be flexible and reproducible, enabling efficient evaluation of electrochemical performance across diverse material structures. By exploring different graphite morphologies, our approach accelerates the optimization of material preparation techniques and processing conditions. Our findings reveal that incorporating greater morphological complexity leads to significant deviations from classical model predictions. Instead, our refined model offers a more accurate representation of battery discharge behavior, closely aligning with experimental data. This improvement underscores the importance of detailed morphological descriptions in advancing battery design and performance assessments. To promote accessibility and reproducibility, we provide the developed code for seamless integration with the COMSOL API, allowing researchers to implement and adapt it easily. This computational framework serves as a valuable tool for investigating the impact of graphite morphology on battery performance, bridging the gap between theoretical modeling and experimental validation to enhance lithium-ion battery technology.

25 ENERGY STORAGE↗