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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 1,171 records · Page 65
All sourcesNASA NTRSDOE OSTI
NASA NTRS2021

A Critical Look at Coulomb Counting Approach for State of Charge Estimation in Batteries

In this paper, we consider the problem of state-of-charge estimation for rechargeable batteries. Coulomb counting is a well-known method for estimating the state of charge, and it is regarded as accurate as long as the battery capacity and the beginning state of charge are known. The Coulomb counting approach, on the other hand, is prone to inaccuracies from a variety of sources, and the magnitude of these errors has not been explored in the literature. We formally construct and quantify the state-of-charge estimate error during Coulomb counting due to four types of error sources: (1) current measurement error; (2) current integration approximation error; (3) battery capacity uncertainty; and (4) timing oscillator error/drift. It is demonstrated that the state-of-charge error produced can be either time-cumulative or state-of-charge-proportional. Time-cumulative errors accumulate over time and have the potential to render the state-of-charge estimation utterly invalid in the long term. The proportional errors of the state of charge rise with the accumulated state of charge and reach their worst value within one charge/discharge cycle. The study presents methods for reducing time-cumulative and state-of-charge-proportional mistakes through simulation analysis.

Battery management system↗
DOE OSTI2022

Ion Transport in Batteries with Polymer Electrolytes

We discuss polymer electrolytes for use in rechargeable lithium batteries. Polymer electrolytes have the potential to enable batteries with lithium metal anodes. These batteries have significantly higher theoretical energy densities than current lithium-ion batteries. We consider binary mixtures of polymers and salts. We also cover more complex systems such as polymer electrolytes swollen with a solvent (gel polymer electrolytes) and microphase separated polymer electrolytes. By covalently attaching the anions to the chains in a polymer solid, one obtains a single-ion conductor. We mainly focus on experiments wherein the polymer electrolyte is placed between two lithium metal electrodes. These experiments enable the determination of three transport parameters, ionic conductivity, salt diffusion coefficient, and transference number, and the thermodynamic factor. The properties of dry polymer electrolytes are contrasted with those of gel polymer electrolytes. The gel systems exhibit higher conductivity while the dry systems exhibit superior mechanical properties. We discuss interfacial impedance when lithium metal is contacted with polymer electrolytes and the importance of coulombic efficiency.

Yu, Xiaopeng↗
DOE OSTI2022

Ultra-Stretchable, Ionic Conducting, Pressure-Sensitive Adhesive with Dual Role for Stable Li-Metal Batteries

The practical application of lithium (Li) metal battery is impeded by the Li dendrite growth and unstable solid electrolyte interphase (SEI) layer. Herein, an ultra-stretchable and ionic conducting chemically crosslinked pressure-sensitive adhesive (cPSA) synthesized via the copolymerization of 2-ethylhexyl acrylate and acrylic acid with poly(ethyleneglycol)dimethacrylate as crosslinker (short for 70cPSA), is developed as both artificial SEI layer and solid polymer electrolyte (SPE) for stable Li-metal electrode, enabling all-solid-state Li metal batteries with excellent cycling performance. As an artificial SEI layer, the 70cPSA-modified electrodes exhibit excellent electrochemical performance in Li|70cPSA@Cu half cells and 70cPSA@Li|70cPSA@Li symmetric cells. In full cells with LiFePO 4 (LFP) as cathode, the 70cPSA@Li|LFP cell exhibits stable cycling performance over 250 cycles. Utilized as SPE, the all-solid-state Li|SPE|LFP cell delivers excellent cycling stability with a capacity retention of 86% over 500 cycles. With high-voltage LiNi 0.8 Mn 0.1 Co 0.1 O 2 (NMC811) as cathode, the Li|SPE|NMC811 cell exhibits a discharge capacity of 124.3 mAh g -1 with a capacity retention of 71% after 200 cycles. Furthermore, the rational design of PSAs and investigation of their dual role for stable and safe Li-metal batteries may shed a light on adhesive polymers for battery applications.

25 ENERGY STORAGE↗
DOE OSTI2024

Cationic and Anionic Redox of Battery Cathodes Investigated by Advanced Synchrotron‐Based Mapping of Resonant Inelastic X‐ray Scattering

Abstract Redox reaction builds the foundation stone for the energy density of rechargeable battery cathodes. Probing and understanding the redox reaction behavior is crucial, but also extremely formidable, which requires individual and reliable detection of cationic and anionic redox states. Fortunately, the recently developed ultra‐high‐efficiency mapping of resonant inelastic X‐ray scattering (mRIXS) has emerged as a powerful tool to probe the battery chemistry states. Here, the latest advances of employing advanced mRIXS is summarized to investigate the cationic and anionic redox mechanism of battery cathodes during electrochemical operation. Owing to the new dimension of information along the emission energy and high sensitivity to valence 3d states, 3d transition‐metal L ‐edge (TM‐ L ) mRIXS can eliminate the lineshape distortion in conventional 3d TM‐ L fluorescence X‐ray absorption spectra and investigate the cationic redox quantitatively. Moreover, O‐ K mRIXS could fingerprint the intrinsic oxidized lattice oxygen states and quantify the oxygen redox (OR) reversibility, thus demystifying the controversy in traditional wisdom. In addition, different modification strategies coupled with underlying mechanisms for regulating the activity and reversibility of OR utilizing mRIXS are also summarized. This review provides valuable guidance for further exploration of underlying reaction mechanisms of battery cathodes by mRIXS, along with both technological and scientific improvements.

Cheng, Chen↗
DOE OSTI2020

A Single‐Ion Conducting Borate Network Polymer as a Viable Quasi‐Solid Electrolyte for Lithium Metal Batteries

Abstract Lithium‐ion batteries have remained a state‐of‐the‐art electrochemical energy storage technology for decades now, but their energy densities are limited by electrode materials and conventional liquid electrolytes can pose significant safety concerns. Lithium metal batteries featuring Li metal anodes, solid polymer electrolytes, and high‐voltage cathodes represent promising candidates for next‐generation devices exhibiting improved power and safety, but such solid polymer electrolytes generally do not exhibit the required excellent electrochemical properties and thermal stability in tandem. Here, an interpenetrating network polymer with weakly coordinating anion nodes that functions as a high‐performing single‐ion conducting electrolyte in the presence of minimal plasticizer, with a wide electrochemical stability window, a high room‐temperature conductivity of 1.5 × 10 −4 S cm −1 , and exceptional selectivity for Li‐ion conduction ( t Li+ = 0.95) is reported. Importantly, this material is also flame retardant and highly stable in contact with lithium metal. Significantly, a lithium metal battery prototype containing this quasi‐solid electrolyte is shown to outperform a conventional battery featuring a polymer electrolyte.

Shin, Dong‐Myeong↗
DOE OSTI2021

The Quest for Stable Potassium‐Ion Battery Chemistry

Abstract Potassium‐ion batteries (KIBs) have attracted wide interest for energy storage because of the abundance of the electrode materials involved; however, their electrochemical performances are far behind what can be achieved from lithium‐ion batteries (LIBs) or sodium‐ion batteries (SIBs). Herein, key promising electrode and electrolyte materials for potassium‐ion batteries are identified, the coupled electrochemical reactions in the cell are investigated, and the compatibility between different materials is demonstrated to play the most important role. K 2 Mn[Fe(CN) 6 ] cathode can deliver a high capacity of ≈125 mAh g −1 and exceptional cycling stability over 61 000 cycles (≈9 months) if the side reactions from the anode can be prevented. Graphite is a good anode material but is subjected to degradation in traditional carbonate electrolytes. New concentrated electrolytes are developed and evaluated. A stable KIB system is demonstrated by coupling a stable K 2 Mn[Fe(CN) 6 ] cathode, a prepotassiated graphite anode with a concentrated electrolyte to achieve a high energy density of ≈260 Wh kg −1 (based on the active mass of cathode and anode) and good cycling of over 1000 cycles.

Wu, Xianyong↗
DOE OSTI2024

Fast Kinetics Design for Solid‐State Battery Device

Abstract Fast kinetics of solid‐state batteries at the device level is not adequately explored to achieve fast charging and discharging. In this work, a leap forward is achieved for fast kinetics in full cells with high cathode loading and areal capacity. This kinetic improvement is achieved by designing a hierarchical structure of electrode composites. In the cathode, the authors’ design enables high areal capacities above 3 mAh cm −2 to be stably cycled at high current densities of ≈13–40 mA cm −2 , yielding a C‐rate from 5 to 10 C. In the anode, the authors’ design breaks the common rule of the negative correlation between critical C‐rate and the discharge voltage that is observed in most other anodes. The overall design enables the fast cycling of such batteries for over 4000 cycles at room temperature and 5 C charge‐rate. The design principles unveiled by this work help to understand critical kinetic processes in battery devices that limit the fast cycling at high cathode loading and speed up the design of high‐performance solid‐state batteries.

Wang, Yichao↗
DOE OSTI2019

An Effective Relithiation Process for Recycling Lithium‐Ion Battery Cathode Materials

Abstract Rapid adoption of lithium‐ion batteries for electronics and electric vehicles requires cost‐effective and efficient recycling of battery components especially the valuable cathode active materials. The direct recycling method transforms end‐of‐life (EOL) cathode materials into battery grade materials with minimal energy consumption and least environmental disruption. In direct recycling, the relithiation step to restore the lithium stoichiometry of the cathode materials is critical. In this work, a novel electrochemical relithiation approach in an aqueous electrolyte followed by a heat treatment for recycling cathode materials in EOL lithium‐ion batteries is demonstrated and analyzed. Using LiCoO 2 as an example, it is shown that the recycled LiCoO 2 materials show equivalent crystal structure, morphology, and electrochemical performance to the commercial LiCoO 2 .

Yang, Tairan↗
DOE OSTI2022

Machine Learning Modeling for Accelerated Battery Materials Design in the Small Data Regime

Abstract Machine learning (ML)‐based approaches to battery design are relatively new but demonstrate significant promise for accelerating the timeline for new materials discovery, process optimization, and cell lifetime prediction. Battery modeling represents an interesting and unconventional application area for ML, as datasets are often small but some degree of physical understanding of the underlying processes may exist. This review article provides discussion and analysis of several important and increasingly common questions: how ML‐based battery modeling works, how much data are required, how to judge model performance, and recommendations for building models in the small data regime. This article begins with an introduction to ML in general, highlighting several important concepts for small data applications. Previous ionic conductivity modeling efforts are discussed in depth as a case study to illustrate these modeling concepts. Finally, an overview of modeling efforts in major areas of battery design is provided and several areas for promising future efforts are identified, within the context of typical small data constraints.

Sendek, Austin D.↗
DOE OSTI2022

Recent Advances in Conduction Mechanisms, Synthesis Methods, and Improvement Strategies for Li 1+ x Al x Ti 2-x (PO 4 ) 3 Solid Electrolyte for All-Solid-State Lithium Batteries

With the increasing use of Li batteries for storage, their safety issues and energy densities are attracting considerable attention. Recently, replacing liquid organic electrolytes with solid-state electrolytes (SSE) has been hailed as the key to developing safe and high-energy-density Li batteries. In particular, Li 1+ x Al x Ti 2- x (PO4) 3 (LATP) has been identified as a very attractive SSE for Li batteries due to its excellent electrochemical stability, low production costs, and good chemical compatibility. However, interfacial reactions with electrodes and poor thermal stability at high temperatures severely restrict the practical use of LATP in solid-state batteries (SSB). Herein, a systematic review of recent advances in LATP for SSBs is provided. Here, this review starts with a brief introduction to the development history of LATP and then summarizes its structure, ion transport mechanism, and synthesis methods. Challenges (e.g., intrinsic brittleness, interfacial resistance, and compatibility) and corresponding solutions (ionic substitution, additives, protective layers, composite electrolytes, etc.) that are critical for practical applications are then discussed. Last, an outlook on the future research direction of LATP-based SSB is provided.

25 ENERGY STORAGE↗
DOE OSTI2023

Interface Coating Design for Dynamic Voltage Stability of Solid‐State Batteries

Abstract Intrinsic or interface thermodynamic voltage windows of solid electrolytes are often narrower than the operational voltage range needed by a full battery, thus various interface decomposition reactions can happen in a practical solid‐state battery. Experimentally, it is found that a proper battery design utilizing the reactions can lead to a dynamic evolution from interface instability to stability, giving the so‐called dynamic voltage stability for advanced battery performance. Here, first the state‐of‐the‐art understanding is articulated about how the dynamic voltage stability should be interpreted in physical picture and treated in computation, emphasizing the potential importance of nonequilibrium reaction pathways. The constrained ensemble computational approach is further applied across most types of solid‐state electrolytes to systematically evaluate and compare their dynamic stability voltage windows in response to the mechanical constriction effect. High‐throughput calculations are used to search for coating materials for different interfaces between sulfide, halide, and oxide electrolytes and typical cathode materials with enhanced dynamic voltage stability. A comparison with experiment is given to highlight the value of these computational predictions.

Wang, Yichao↗
DOE OSTI2025

Enhancing Cycle Life in Superoxide‐Based Na–O 2 Batteries by Reducing Interface Reactivity

Abstract Sodium–oxygen (Na–O 2 ) batteries are considered a promising energy storage alternative to current state‐of‐the‐art technologies owing to their high theoretical energy density, along with the natural abundance and low price of Na metal. The chemistry of these batteries depends on sodium superoxide (NaO 2 ) or peroxide (Na 2 O 2 ) being formed/decomposed. Most Na–O 2 batteries form NaO 2 , but reversibility is usually quite limited due to side reactions at interfaces. By using new materials, including a highly active catalyst based on vanadium phosphide (VP) nanoparticles, an ether/ionic liquid‐based electrolyte, and an effective sodium bromide (NaBr) anode protection layer, the sources of interface reactivity can be reduced to achieve a Na–O 2 battery cell that is rechargeable for 1070 cycles with a high energy efficiency of more than 83%. Density functional theory calculations, along with experimental characterization confirm the three factors leading to the long cycle life, including the effectiveness of the NaBr protective layer on the anode, a tetraglyme/EMIM‐BF 4 based electrolyte that prevents oxidation of the VP cathode catalyst surface, and the EMIM‐BF 4 ionic liquid aiding in avoiding electrolyte decomposition on NaO 2 .

Azaribeni, Adel [Department of Chemical and Biolog↗
DOE OSTI2020

Cation Additive Enabled Rechargeable LiOH‐Based Lithium–Oxygen Batteries

Abstract Lithium–oxygen (Li–O 2 ) batteries have attracted extensive research interest due to their high energy density. Other than Li 2 O 2 (a typical discharge product in Li–O 2 batteries), LiOH has proved to be electrochemically active as an alternative product. Here we report a simple strategy to achieve a reversible LiOH‐based Li–O 2 battery by using a cation additive, sodium ions, to the lithium electrolyte. Without redox mediators in the cell, LiOH is detected as the sole discharge product and it charges at a low charge potential of 3.4 V. A solution‐based reaction route is proposed, showing that the competing solvation environment of the catalyst and Li + leads to LiOH precipitation at the cathode. It is critical to tune the cell chemistry of Li–O 2 batteries by designing a simple system to promote LiOH formation/decomposition.

Bi, Xuanxuan↗
DOE OSTI2022

Bromine Assisted MnO 2 Dissolution Chemistry: Toward a Hybrid Flow Battery with Energy Density of over 300 Wh L −1

Abstract Mn 2+ /Mn 3+ redox pair has been considered as a promising cathode for high energy density batteries, due to its attractive features of high redox potential, solubility and outstanding kinetics. However, the disproportionation side reaction of Mn 3+ , which results in accumulation of “dead” MnO 2 limits its reversibility and further energy density. Herein, a novel catholyte based on mixture of Mn 2+ and Br − was proposed for flow batteries with high energy density and long cycle life. In the design, the “dead” MnO 2 can be fully discharged via Br − by a chemical‐electrochemical reaction. Coupled with Cd/Cd 2+ as anode, the assembled Bromine‐Manganese flow battery (BMFB) demonstrates a high energy efficiency of 76 % at 80 mA cm −2 with energy density of 360 Wh L −1 . The battery assembled with silicotungstic acid as anode could continuously run for over 2000 cycles at 80 mA cm −2 . With high power density, energy density and durability, the BMFB shows great potential for large‐scale energy storage.

Chemistry↗
DOE OSTI2023

Phosphate‐functionalized Zirconium Metal–Organic Frameworks for Enhancing Lithium–Sulfur Battery Cycling

Abstract Lithium–sulfur batteries are promising candidates for next‐generation energy storage devices due to their outstanding theoretical energy density. However, they suffer from low sulfur utilization and poor cyclability, greatly limiting their practical implementation. Herein, we adopted a phosphate‐functionalized zirconium metal–organic framework (Zr‐MOF) as a sulfur host. With their porous structure, remarkable electrochemical stability, and synthetic versatility, Zr‐MOFs present great potential in preventing soluble polysulfides from leaching. Phosphate groups were introduced to the framework post‐synthetically since they have shown a strong affinity towards lithium polysulfides and an ability to facilitate Li ion transport. The successful incorporation of phosphate in MOF‐808 was demonstrated by a series of techniques including infrared spectroscopy, solid‐state nuclear magnetic resonance spectroscopy, and X‐ray pair distribution function analysis. When employed in batteries, phosphate‐functionalized Zr‐MOF (MOF‐808‐PO4) exhibits significantly enhanced sulfur utilization and ion diffusion compared to the parent framework, leading to higher capacity and rate capability. The improved capacity retention and inhibited self‐discharge rate also demonstrate effective polysulfide encapsulation utilizing MOF‐808‐PO4. Furthermore, we explored their potential towards high‐density batteries by examining the cycling performance at various sulfur loadings. Our approach to correlate structure with function using hybrid inorganic–organic materials offers new chemical design strategies for advancing battery materials.

Liu, Bingqian↗
DOE OSTI2025

Liquid Metals for Advanced Batteries: Recent Progress and Future Perspective

ABSTRACT The shift toward sustainable energy has increased the demand for efficient energy storage systems to complement renewable sources like solar and wind. While lithium‐ion batteries dominate the market, challenges such as safety concerns and limited energy density drive the search for new solutions. Liquid metals (LMs) have emerged as promising materials for advanced batteries due to their unique properties, including low melting points, high electrical conductivity, tunable surface tension, and strong alloying tendency. Enabled by the unique properties of LMs, four key scientific functions of LMs in batteries are highlighted: active materials, self‐healing, interface stabilization, and conductivity enhancement. These applications can improve battery performance, safety, and lifespan. This review also discusses current challenges and future opportunities for using LMs in next‐generation energy storage systems. image

Zheng, Tianrui [Materials Science and Engineering ↗
DOE OSTI2021

Polypeptide-based batteries toward sustainable and cyclic manufacturing

Mass demand for lithium-ion batteries (LIBs) consumes enormous resources, thus having a great impact on the battery supply chain. Here, it is essential to create a sustainable manufacturing cycle for LIBs. Recently in Nature, Wooley and collaborators reported an all-polypeptide organic radical battery, demonstrating the potential of sustainable, recyclable metal-free batteries.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Membrane design for non-aqueous redox flow batteries: Current status and path forward

Redox flow batteries are promising technologies for large-scale, long-duration energy storage applications. Among them, non-aqueous redox flow batteries (NARFB) represent a transformative flow battery system since NARFBs potentially offer a higher energy density than aqueous flow batteries. However, many technical challenges remain for NARFBs, including the lack of high-performance membranes, low solubility of redox materials, and poor cycling efficiencies. Membranes serve a vital function in NARFBs, as they allow for selective ion transport while providing separation between the anolyte and catholyte. NARFB membrane development is an emerging research area, and this article reviews their design and critical factors that influence membrane properties, including solvent uptake, ion transport, and redox species permeability. A greater understanding of membrane behavior in non-aqueous solutions provides design principles for developing next-generation membranes for NARFB. In conclusion, we summarize the challenges, target metrics, and future perspectives for NARFBs.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗