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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Low-Temperature Plasma-Based Metrology of Lithium-Ion Battery Electrode Materials (CRADA Final Report)

As part of the Cyclotron Road program, SirenOpt Inc. evaluated its low-temperature plasma-based metrology sensor prototype for measuring multiple critical properties of lithium-ion battery electrode materials in parallel and in real-time. Cost-effective, minimal-waste manufacturing of high-performance battery electrode materials will be vital for achieving society’s net-zero carbon emission goals. Because existing electrode metrology sensors cannot operate within most sections of manufacturing lines, manufacturers often complete hundreds of processing steps before they can test their products and detect problems. When manufacturers perform these offline tests, they typically only test a small portion of the manufactured products. Current electrode manufacturing thus often yields many low-quality products, or off-spec products that must be thrown away all together. For example, at least 6% of the total lithium-ion battery manufacturing cost (i.e., over $250 million/year for the average gigafactory) is devoted to processing defective electrodes that are not scrapped until performance tests are failed during late-stage quality control checks. Electrode variability also leads manufacturers to build extra cells into battery packs to reduce the risk of poor performance. For example, many electric vehicle (EV) manufacturers include up to 10% more cells than needed, which substantially increases the cost and weight of the final EV product. The SirenOpt sensor can potentially enable early detection of poorly manufactured electrodes and allow them to be removed earlier from manufacturing lines, which can save battery manufacturers (hundreds of) millions of dollars per year. The sensor can further be used to improve product quality by accelerating R&D and process optimization, improving quality control, and enabling real-time process control. Overall, a real-time, in-situ metrology strategy can create unprecedented opportunities for implementation of smart manufacturing practices and advanced quality and process control solutions to realize higher battery electrode throughput and performance.

25 ENERGY STORAGE↗
DOE OSTI2021

Numerical and experimental evaluation of mechanical performance of the multifunctional energy storage composites

This work presents numerical simulation methods to model the mechanical behavior of the multifunctional energy storage composites (MESCs), which consist of a stack of multiple thin battery layers reinforced with through-the-hole polymer rivets and embedded inside carbon fiber composite laminates. MESC has been demonstrated through earlier experiments on its exceptional behavior as a structural element as well as a battery. However, the inherent complex infrastructure of the MESC design has created significant challenges in simulation and modeling. A novel homogenization technique was adopted to characterize the multi-layer properties of battery material using physics-based constitutive equations combined with nonlinear deformation theories to handle the interface between the battery layers. Second, mechanical damage and failure modes among battery materials, polymer reinforcements, and carbon fiber-polymer interfaces were characterized through appropriate models and experiments. The model of MESCs has been implemented in a commercial finite element code in ABAQUS. A comparison of structural response and failure modes from numerical simulations and experimental tests are presented. The results of the study showed that the predictions of elastic and damage responses of MESCs at various loading conditions agreed well with the experimental data. © 2021

Materials Science↗
DOE OSTI2022

Improving the oxygen redox reversibility of Li-rich battery cathode materials via Coulombic repulsive interactions strategy

The oxygen redox reaction in lithium-rich layered oxide battery cathode materials generates extra capacity at high cell voltages (i.e., >4.5 V). However, the irreversible oxygen release causes transition metal (TM) dissolution, migration and cell voltage decay. To circumvent these issues, we introduce a strategy for tuning the Coulombic interactions in a model Li-rich positive electrode active material, i.e., Li 1.2 Mn 0.6 Ni 0.2 O 2 . In particular, we tune the Coulombic repulsive interactions to obtain an adaptable crystal structure that enables the reversible distortion of TMO 6 octahedron and mitigates TM dissolution and migration. Moreover, this strategy hinders the irreversible release of oxygen and other parasitic reactions (e.g., electrolyte decomposition) commonly occurring at high voltages. When tested in non-aqueous coin cell configuration, the modified Li-rich cathode material, combined with a Li metal anode, enables a stable cell discharge capacity of about 240 mAh g -1 for 120 cycles at 50 mA g -1 and a slower voltage decay compared to the unmodified Li 1.2 Mn 0.6 Ni 0.2 O 2 .

25 ENERGY STORAGE↗
DOE OSTI2022

Design and Performance of lithium-Ion Batteries for Achieving Electric Vehicle Takeoff, Flight, and Landing

Today, the burgeoning drive towards global urbanization with over half the earth’s population living in cities, has created major challenges with regards to intracity and intercity transit and mobility. This problem is compounded due to the fact that almost always urbanization and increase in standard of living drives individual automobile ownerships. Over 95% of automobiles are presently powered by some form of fossil fuel and as an unintended consequence, urban centers have also been centers for peak greenhouse gas emissions, a major contributor to global climate change. A revolutionary solution to this conundrum is flight capable electric automobiles or electric aerial vehicles that can tackle both urban mobility and climate change challenges. For such advanced electric platforms, energy storage and delivery component is the vital component towards achieving takeoff, flight, cruise, and landing. The requirements and duty cycle demands on the energy storage system is drastically different when compared to the performance metrics required for terrestrial electric vehicles. As the widely deployed lithium ion-based battery systems are often the primary go-to energy storage choice in electric vehicle related applications, it is imperative that performance metrics and specifications for such batteries towards areal electric vehicles need to be established. In this nascent field, there exists ample opportunities for battery material innovations, understanding degradation mechanism, battery design, development and deployment of battery control and management systems. Thus, this chapter comprehensively discusses battery requirements and identifies battery material chemistries suitable for handling aerial electric automobile duty cycles. The chapter also discusses the battery cell-level metrics pertaining to electrochemical, chemical, mechanical, and structural parameters. Furthermore, specific models for battery degradation, state of health (SOH), capacity and models for full cell performance and degradation are also discussed here. Finally, the chapter also discusses battery safety and future directions of batteries that would power these next generation urban electric aircrafts.

Amin, Ruhul↗
DOE OSTI2023

Aerosol Manufacturing Technology to Produce Low-Cobalt Li-ion Battery Cathodes

Although considerable progress has been made with battery materials over the last 10 years, the cathode remains a major performance-limiting material in Li-ion battery (LIB) technology. New materials and battery chemistries will overcome some of the remaining challenges, but cathode materials must also be manufactured at a lower cost and with a smaller environmental footprint using new processes that can also enable improved control over stoichiometry, morphology, and compositional homogeneity. Cabot, Argonne National Laboratory and SAFT research teams are combining their extensive expertise in particle synthesis, battery materials and cell design to develop a low-cost, flexible aerosol manufacturing technology for production of high-performance cathode active materials (CAM). This project will develop low-Co CAMs via Reactive Spray Technology (RST) and Flame Spray Pyrolysis (FSP) to reach performance targets of < 50 mg Cobalt/Wh.

25 ENERGY STORAGE↗
DOE OSTI2021

Design and Optimization of the Direct Recycling of Spent Li-Ion Battery Cathode Materials

Direct regeneration of spent Li-ion batteries based on the hydrothermal relithiation of cathode materials is a promising next-generation recycling technology. In order to demonstrate the feasibility of this approach at a large scale, we systematically design and optimize the process parameters to minimize both energy and raw material costs. Specifically, the effects of regenerative processing parameters on the composition, structure, and electrochemical performance of the regenerated cathode materials are investigated via systematic characterization and testing. From this analysis, it was found that the raw material costs can be substantially reduced by either replacing the typically employed 4 M LiOH solution by a cost-effective mixture of 0.1 M LiOH and 3.9 M KOH or recycling of the concentrated 4 M LiOH for continuous relithiation processes. Finally, life cycle analysis suggests that this strategy results in reduced energy consumption and greenhouse gas emissions, leading to an increased potential revenue, particularly when compared with hydro- and pyrometallurgical recycling methods.

25 ENERGY STORAGE↗
DOE OSTI2020

Future material demand for automotive lithium-based batteries

The world is shifting to electric vehicles to mitigate climate change. Here, we quantify the future demand for key battery materials, considering potential electric vehicle fleet and battery chemistry developments as well as second-use and recycling of electric vehicle batteries. We find that in a lithium nickel cobalt manganese oxide dominated battery scenario, demand is estimated to increase by factors of 18–20 for lithium, 17–19 for cobalt, 28–31 for nickel, and 15–20 for most other materials from 2020 to 2050, requiring a drastic expansion of lithium, cobalt, and nickel supply chains and likely additional resource discovery. However, uncertainties are large. Key factors are the development of the electric vehicles fleet and battery capacity requirements per vehicle. If other battery chemistries were used at large scale, e.g. lithium iron phosphate or novel lithium-sulphur or lithium-air batteries, the demand for cobalt and nickel would be substantially smaller. Closed-loop recycling plays a minor, but increasingly important role for reducing primary material demand until 2050, however, advances in recycling are necessary to economically recover battery-grade materials from end-of-life batteries. Second-use of electric vehicles batteries further delays recycling potentials.

25 ENERGY STORAGE↗
DOE OSTI2020

Cluster Expansion Analysis of Atomic Order in Li-Ion Battery Cathode Material LiCo y Ni 1-y O 2

A modified cluster-expansion treatment was developed recently to analyze atomic order in LiCo y Ni 1-y O 2 , a model cathode material for Li-ion batteries. In this treatment, referred to as a “spin-atom” cluster expansion, the occupant of a lattice site is identified by its spin state as well as its atomic species. Further, Effective Cluster Interaction (ECI) coefficients are derived from a large training data set (i.e., the set of atomic arrangements for which DFT calculations are performed) which is filtered by an anomaly detection algorithm to eliminate poorly converged DFT calculations. The cluster expansion incorporates Li-Ni (LN) exchange as well as intralayer Co-Ni (CN) exchange. Monte Carlo simulations based on the cluster expansion were applied to the Ni-rich part of the phase diagram. The simulations predict a miscibility gap between y = 0.05 and y = 0.65.

25 ENERGY STORAGE↗
DOE OSTI2023

Surface analysis insight note: X‐ray photoelectron spectroscopy analysis of battery electrodes—Challenges with nickel–manganese–cobalt and Li examples using an Al Kα x‐ray source

X‐ray photoelectron spectroscopy (XPS) has become a highly important tool for the analysis of battery materials and components. However, both anecdotal and detailed analysis of selected parts of the literature indicate that many reports of XPS on battery electrodes have significant analysis or data flaws. In this paper, we highlight several of the common challenges that analysts face when using XPS for battery materials, pointing to recent literature that addresses many of the critical issues associated with sample preparation as well as data collection and analysis. A common error for battery materials (and other materials) involves ignoring peak overlaps and interferences. Specifically, when a “minor” peak associated with a component in relatively high concentration overlaps or contributes to the primary peak (or one recommended for quantitative analysis) from a different element in the material. Overlap issues apply to many battery electrodes composed of many elements with complex photoelectron peak structures, as well as those involving peaks with seemingly simpler spectral envelopes such as Li and F. Examples of issues associated with battery systems are highlighted by a discussion of challenges associated with XPS analysis of Li and nickel–manganese–cobalt (NMC) electrodes in battery systems. Lithium analysis has challenges associated with the preparation and an often‐unrecognized peak overlap with F. In our laboratory and in the literature, NMC electrodes are often examined and new XPS users do not always recognize interference of the Auger signal from F KLL (in or on the electrode) with Ni 2p photoelectron spectrum when generated with Al Kα X‐rays. The use of simulated spectra involving both F and NiO demonstrates the extent of F Auger contributions to the Ni 2p signal strength as a function of the F/Ni atom ratio in the material and suggests spectra information that can be used to identify how significant effects will be on the resultant spectra. Our analysis demonstrates that in many cases overlap issues are significant for real electrode materials.

25 ENERGY STORAGE↗
DOE OSTI2023

Research on the mechanism of interactions between Li/Na/K atoms and electrode materials

As the demand for high-capacity battery materials continues to grow, the exploration of the interaction mechanisms between Li/Na/K atoms and electrode materials has gained tremendous attention. In this study, we introduce a descriptor (ɛɑ) aimed at efficiently identifying high-performance electrode materials, specifically from two-dimensional transition metal chalcogenides and C and N compounds (MXenes). Our density functional theory calculations disclose a robust linear relationship between this descriptor and the adsorption energy (Ead), represented as Ead = ɛɑ + b. The fitting parameters, ɛɑ and b, are individually linked to the inherent properties of the substrate and adsorbate. Explicitly, the descriptor ɛɑ represents the capacity of the electrode material to accommodate an extra electron, while the intercept b is determined by the ionization energy (EIP) of alkali atoms and the coupling energy (Ecp) between the cation to the negatively charged substrate. This finding serves as a practical guide for designing high-capacity battery materials and paves the way for future advancements in this field.

Physics↗
DOE OSTI2021

Machine Learning Screening of Metal-Ion Battery Electrode Materials

Here, in this work we present deep neural network regression machine learning models (ML) for predicting the average voltage and the percentage change in volume of battery electrodes upon charging and discharging with metal ions. Our models exhibit good performance as measured by the average mean absolute error obtained from a 10-fold cross-validation as well as on independent test sets. We further assess the robustness our ML models by investigating their screening potential beyond the training database. We produce novel Na-ion electrodes by systematically replacing Li-ions in the original database by Na-ions, and then selecting a set of 22 electrodes that exhibit a good performance in energy density as well as small volume variations upon charging and discharging, as predicted by the machine learning model. The ML predictions for these new materials are then compared to quantum-mechanics based calculations. Our results reaffirm the significant role of machine learning techniques in the exploration of materials for battery applications.

,electrode volume change↗
DOE OSTI2025

Impact of electric vehicle battery recycling on reducing raw material demand and battery life-cycle carbon emissions in China

The rapid growth of electric vehicles (EVs) in China challenges raw material demand. This study evaluates the impact of recycling and reusing EV batteries on reducing material demand and carbon emissions. Integrating a national-level vehicle stock turnover model with life-cycle carbon emission assessment, we found that replacing nickel-cobalt-manganese batteries with lithium iron phosphate batteries with battery recycling can reduce lithium, cobalt, and nickel demand between 2021 and 2060 by up to 7.8 million tons (Mt) (67%), 12.4 Mt (96%), and 37.2 Mt (93%), respectively, significantly decreasing reliance on import. Moreover, battery recycling coupled with reuse can reduce carbon emissions by up to 6,532-6,864 Mt (36.0-37.9%), depending on four recycling methods employed. However, this reuse strategy delays battery recycling and risks lithium supply shortage, necessitating trade-offs between carbon reduction and material supply. Future technologies, such as lithium-sulfur and all-solid-state batteries, despite their energy efficiency, might exacerbate lithium shortage, underscoring the crucial need for increased lithium supply.

25 ENERGY STORAGE↗
DOE OSTI2024

Custom-form iron trifluoride Li-batteries using material extrusion and electrolyte exchanged ionogels

Custom-form factor batteries fabricated in non-conventional shapes can maximize the overall energy density of the systems they power, particularly when used in conjunction with energy dense materials (e.g., Li metal anodes and conversion cathodes). Additive manufacturing (AM), and specifically material extrusion (ME), have been shown as effective methods for producing custom-form cell components, particularly electrodes. However, the AM of several promising energy dense materials (conversion electrodes such as iron trifluoride) have yet to be demonstrated or optimized. Furthermore, the integration of multiple AM produced cell components, such as electrodes and separators, along with a custom package remains largely unexplored. In this work, iron trifluoride (FeF 3 ) and ionogel (IG) separators are conformally printed using ME onto non-planar surfaces to enable the fabrication of custom-form Li-FeF 3 batteries. Further, to demonstrate printing on non-planar surfaces, cathodes and separators were deposited onto cylindrical rods using a 5-axis ME printer. ME printed FeF 3 was shown to have performance commensurate with FeF 3 cast using conventional means, both in coin cell and cylindrical rod formats, with capacities exceeding 700 mAh/g on the first cycle and ranging between 600 and 400 mAh/g over the next 50 cycles. Additionally, a ME process for printing polyvinylidene fluoride-co-hexafluoropropylene (PVDF-HFP) based IGs directly onto FeF 3 is developed and enabled using an electrolyte exchange process. In coin cells, this process is shown to produce cells with similar capacity to cells built with Celgard separators out to 50 cycles, with the exception that cycling instabilities are observed during cycles 8–20. When using printed and exchanged IGs in a custom cylindrical cell package, 6 stable high-capacity cycles are achieved. Overall, this work demonstrates approaches for producing high-energy-density Li-FeF 3 cells in coin and cylindrical rod formats, which are translatable to customized, arbitrary geometries compatible with ME printing and electrolyte exchange.

25 ENERGY STORAGE↗
DOE OSTI2023

High-Throughput Electrochemical Characterization of Aqueous Organic Redox Flow Battery Active Material

The development of redox-active organics for flow batteries providing long discharge duration energy storage requires an accurate understanding of molecular lifetimes. Herein we report the development of a high-throughput setup for the cycling of redox flow batteries. Using common negolyte redox-active aqueous organics, we benchmark capacity fade rates and compare variations in measured cycling behavior of nominally identical volumetrically unbalanced compositionally symmetric cells. We propose figures of merit for consideration when cycling sets of identical cells, and compare three common electrochemical cycling protocols typically used in battery cycling: constant current, constant current followed by constant voltage, and constant voltage. Redox-active organics exhibiting either high or low capacity fade rates are employed in the cell cycling protocol comparison, with results analyzed from over 50 flow cells.

Electrochemistry↗