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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

A Perspective on Pathways Toward Commercial Sodium‐Ion Batteries

Lithium-ion batteries (LIBs) have been widely adopted in the automotive industry, with an annual global production exceeding 1000 GWh. Despite their success, the escalating demand for LIBs has created concerns on supply chain issues related to key elements, such as lithium, cobalt, and nickel. Sodium-ion batteries (SIBs) are emerging as a promising alternative due to the high abundance and low cost of sodium and other raw materials. Nevertheless, the commercialization of SIBs, particularly for grid storage and automotive applications, faces significant hurdles. This perspective article aims to identify the critical challenges in making SIBs viable from both chemical and techno-economic perspectives. First, a brief comparison of the materials chemistry, working mechanisms, and cost between mainstream LIB systems and prospective SIB systems is provided. The intrinsic challenges of SIBs regarding storage stability, capacity utilization, cycle stability, calendar life, and safe operation of cathode, electrolyte, and anode materials are discussed. Furthermore, issues related to the scalability of material production, materials engineering feasibility, and energy-dense electrode design and fabrication are illustrated. Finally, promising pathways are listed and discussed toward achieving high-energy-density, stable, cost-effective SIBs.

25 ENERGY STORAGE↗
DOE OSTI2026

Electrolyte Design for Fast‐Charging Lithium‐Based Batteries

Fast charging is essential for the widespread adoption of lithium (Li)-ion batteries, but it is fundamentally limited by sluggish interfacial kinetics, Li plating, and electrolyte instability at high current densities. Over the past decade, electrolyte engineering has emerged as a key strategy to address these challenges. This review summarizes the development of fast-charging electrolytes over the past ten years and outlines a design framework. Electrolyte formulations are first deconstructed into their main components—solvents, salts, and functional additives—and representative strategies for tuning solvation structure and interphase chemistry are discussed to suppress Li plating and improve interfacial kinetics. The discussion then extends to advanced electrolyte systems, particularly localized high-concentration electrolytes (LHCEs), and their compatibility with different anode chemistries. Advanced characterization techniques are also summarized and categorized based on destructiveness, spatial and temporal resolution, quantitative analysis, and the chemical species or processes probed across multiple length scales. Recent progress in AI-enabled electrolyte discovery and battery management system (BMS) strategies for optimized fast-charging protocols is further highlighted. Finally, perspectives are presented on translating electrolyte innovations from academic research to practical applications, with emphasis on cell format, realistic operating conditions, and manufacturability.

25 ENERGY STORAGE↗
DOE OSTI2025

Novel Zwitterionic Polyurethane-in-Salt Electrolytes with High Ion Conductivity, Elasticity, and Adhesion for High-Performance Solid-State Lithium Metal Batteries

This study presents a novel polymer-in-salt (PIS) zwitterionic polyurethane-based solid polymer electrolyte (zPU-SPE) that offers high ionic conductivity, strong interaction with electrodes, and excellent mechanical and electrochemical stabilities, making it promising for high-performance all solid-state lithium batteries (ASSLBs). The zPU-SPE exhibits remarkable lithium-ion (Li+) conductivity (3.7 × 10⁻⁴ S cm−1 at 25 °C), enabled by exceptionally high salt loading of up to 90 wt.% (12.6 molar ratio of Li salt to polymer unit) without phase separation. It addresses the limitations of conventional SPEs by combining high ionic conductivity with a Li+ transference number of 0.44, achieved through the incorporation of zwitterionic groups that enhance ion dissociation and transport. The high surface energy (338.4 J m−2) and elasticity ensure excellent adhesion to Li anodes, reducing interfacial resistance and ensuring uniform Li+ flux. When tested in Li||zPU||LiFePO₄ and Li||zPU||S/C cells, the zPU-SPE demonstrated remarkable cycling stability, retaining 76% capacity after 2000 cycles with the LiFePO4 cathode, and achieving 84% capacity retention after 300 cycles with the S/C cathode. Molecular simulations and a range of experimental characterizations confirm the superior structural organization of the zPU matrix, contributing to its outstanding electrochemical performance. The findings strongly suggest that zPU-SPE is a promising candidate for next-generation ASSLBs.

Wang, Kun↗
DOE OSTI2025

Distinct Dynamics of Lithium Intercalation and Plating on Graphite Anode for Li‐Ion Batteries in eVTOL Applications

In the absence of viable high-energy-density battery alternatives, lithium-ion (Li-ion) batteries remain essential for enabling electric vertical take-off and landing (eVTOL) platforms in advanced air mobility. Unlike Li-ion batteries used in electric vehicles and portable electronics, eVTOL battery systems operate under distinct high-power demands, which necessitate an independent assessment of material degradation mechanisms. This study presents a case analysis of graphite anode evolution under high-power cycling conditions. The findings reveal lithium entrapment within graphite particles, potentially resulting from incomplete Li-ion de-intercalation during a high-rate discharge event that is characteristic of eVTOL take-off and landing. This phenomenon leads to a progressive reduction in graphite-specific capacity and, over time, promotes lithium metal plating on the anode. Notably, the Li-metal plating observed in this study differs from that associated with fast-charging conditions, as it is primarily governed by concentration polarization-induced overpotential in the latter case. In conclusion, these findings highlight the inherent challenges of utilizing graphite in high-power Li-ion battery applications and elucidate the unique degradation mechanisms that arise due to the sluggish reaction kinetics of Li-ion intercalation and de-intercalation within graphite.

Li plating↗
DOE OSTI2024

Lithium Storage Mechanisms and Electrochemical Behavior of a Molybdenum Disulfide Nanoparticle Anode

This study investigates the electrochemical behavior of molybdenum disulfide (MoS 2 ) as an anode in Li-ion batteries, focusing on the extra capacity phenomenon. Employing advanced characterization methods such as in situ and ex situ X-ray diffraction, Raman spectroscopy, X-ray photoelectron spectroscopy, and transmission electron microscopy, the research unravels the complex structural and chemical evolution of MoS 2 throughout its cycling. A key discovery is the identification of a unique Li intercalation mechanism in MoS 2 , leading to the formation of reversible Li x MoS 2 phases that contribute to the extra capacity of the MoS 2 electrode. Density function theory calculations suggest the potential for overlithiation in MoS 2 , predicting Li 5 MoS 2 as the most energetically favorable phase within the lithiation–delithiation process. Additionally, the formation of a Li-rich phase on the surface of Li 4 MoS 2 is considered energetically advantageous. After the first discharge, the battery system engages in two main reactions. One involves operation as a Li-sulfur battery within the carbonate electrolyte, and the other is the reversible intercalation and deintercalation of Li in Li x MoS 2 . The latter reaction contributes to the extra capacity of the battery. The incorporation of reduced graphene oxide as a conductive additive in MoS 2 electrodes notably improves their rate capability and cycling stability.

Lithium Rich Phase↗
DOE OSTI2026

Extraction of lithium from battery recycling wastewater using synergistic D2EHPA and TBP

The recycling of spent lithium-ion batteries (LIBs) poses significant challenges, including the generation of large volumes of chemically complex wastewater. The composition of this wastewater is influenced by both the intrinsic chemistry of the batteries and the specific recycling processes employed. Notably, this wastewater contains economically valuable components, such as lithium, which can be recovered. Here, in this study, a solvent extraction (SX) process was investigated as a method to recover lithium from battery recycling wastewater, especially from anode-washing stage. Initially, various commercial extractants were evaluated, including di(2-ethylhexyl)phosphoric acid (D2EHPA), mono-2-ethylhexyl (2-ethylhexyl)phosphonate (PC88A), bis(2,4,4-trimethylpentyl)phosphinic acid (Cyanex 272), 2-hydroxy-5-nonylacetophenone oxime (LIX 84-I), tri-butyl phosphate (TBP), and their combinations. Among these, D2EHPA + TBP demonstrated a synergism to advance and maximize the lithium extraction. Subsequently, the effects of key parameters, including D2EHPA concentration, TBP concentration, contact time, initial pH, and aqueous-to-organic (A/O) phase ratio, were systematically investigated and optimized. A two-stage SX approach was employed to enhance lithium recovery. Under the optimized conditions of 30.0 vol% D2EHPA, 10.0 vol% TBP, 10 min of contact time, and a 1:1 A/O phase ratio, a lithium extraction efficiency of more than 88% in a two-stage solvent extraction was achieved. Lithium was subsequently stripped from the loaded organic solution using sulfuric acid (H 2 SO 4 ). Using 2.0 M H 2 SO 4 , lithium stripping was achieved after two counter-current stripping stages at an organic-to-aqueous (O/A) phase ratio of 6:1. This stripping process enriched the lithium concentration by a factor of four compared to the original lithium concentration in the anode-washing wastewater. The recyclability of the synergistic D2EHPA + TBP system was also evaluated over four extraction-stripping cycles. The results demonstrated that the system maintained high extraction and stripping efficiencies.

D2EHPA↗
DOE OSTI2025

A low-cost, fluorine-free electrolyte for improved sodium batteries

Sodium batteries are an attractive alternative to lithium-ion technologies due to sodium’s lower cost and natural abundance—over 1,000 times greater than lithium, comprising approximately 2.4% of the Earth’s crust. However, most current electrolytes rely on fluorine-containing components, which raise economic and environmental concerns. This study explores fluorine-free, borate-based electrolytes that offer improved cycling stability and significant cost and sustainability benefits. We demonstrate stable sodium metal stripping and plating on aluminum foil, enabling anode-free cell configurations with over 50% capacity retention after 700 cycles. Spectroscopic and electrochemical analyses reveal the effects of solvents and salt composition on solvation, ionic conductivity, and oxidative stability. In full-cell configurations, the fluorine-free electrolyte maintains more than 98% capacity retention after 400 cycles. Furthermore, these findings represent a critical step toward the development of cost-effective, environmentally friendly, and high-performance sodium battery systems suitable for future electrification.

anode-free sodium batteries↗
DOE OSTI2025

Laser ablation of high-loading Li-ion battery electrodes improves accessible capacity and cycle life for Behind-the-Meter Storage

Adoption of Behind-the-Meter Storage (BTMS) requires design of batteries that enable high safety, long cycle life, and low cost at the system level. Pairing Li 4 Ti 5 O 12 (LTO) with LiMn 2 O 4 (LMO) achieves targets related to safety and cycle life, but these materials' low energy densities contribute to higher cost at the system scale. Increasing electrode loading is a simple approach to improve energy density, but comes with a trade-off in electrode utilization due to long, tortuous Li + diffusion pathways. Here, laser ablation is used to microstructure (pattern) high-loading electrodes to enhance electrode performance through improved Li + diffusion pathways. Four cell types, comprising combinations of standard or patterned anode and cathode, were prepared to evaluate the effects of laser ablation at each electrode. A rate test shows that patterning electrodes enhances active material utilization at ≳1C rates. Patterning the cathode yields the most benefit, as cells with a patterned cathode demonstrate a ~20% higher accessible capacity than those without at 1.4C. Additionally, 1C capacity retention of cells with patterned cathode (91% through 3000 cycles) is significantly improved over cells with only the anode patterned (64%) and non-patterned electrodes (50%). Characterization of post-mortem cells before and after refreshing their electrolyte suggests that 1C capacity retention is improved by mitigation of electrode "dry-out". We hypothesize that the microstructure acts as a reservoir of additional electrolyte, or a path for gas to escape, so that active material remains wetted throughout long-term cycling, and/or the microstructure may reduce localized, gas-forming overpotentials in the high-loading electrode.

25 ENERGY STORAGE↗
DOE OSTI2026

Tetrahedral Zn 2+ doping LiNi 0.6 Mn 0.2 Co 0.2 O 2 improves discharge capacity retention by altering surface Ni valence during cycling and preventing oxygen evolution

5 mol-% Zn 2+ was added to the co-precipitation synthesis of LiNi 0.6 Mn 0.2 Co 0.2 O 2 (NMC622) to understand Zn's effect on the structural and electronic properties of NMC622. Zn is determined to successfully dope into the NMC crystal lattice as there is an increase in d-spacing along the [003], [104], and [110] directions and an increase in molar volume (100.75 cm 3 mol -1 for NMC622 and 101.00 cm 3 mol -1 for Zn-NMC). Through XPS, Zn is determined to dope on the tetrahedral 6c Wyckoff site in the NMC structure and TEM-EDS reveals that despite a slight ZnO impurity phase, 1.4 mol-% Zn successfully dopes into the crystal structure. Furthermore, cyclic voltammetry shows a suppressed anodic wave associated with oxygen evolution and EIS demonstrates that Zn-doped NMC decreases charge transfer resistance and increases Li diffusion by an order of magnitude. After the formation cycles, NMC has a higher 1 C accessible capacity, 141 mAh/g, over Zn-NMC (132 mAh/g), but after long term cycling Zn-NMC has a higher accessible capacity (117 mAh/g compared to 96 mAh/g for NMC) and increases discharge capacity retention by 18% leading to longer cycle life.

Electrochemistry↗
DOE OSTI2026

Zinc batteries for grid-scale energy storage: Challenges, opportunities, and future directions

The global electricity sector is undergoing rapid transformation, increasing demand for reliable stationary energy storage and intensifying the need for safe, cost-effective, and scalable technologies for grid-scale applications. While lithium-ion batteries currently dominate the market, concerns over cost, safety, and resource availability motivate the exploration of alternative chemistries. Zinc-based batteries have emerged as a promising option due to the abundance, low cost, and wide geographic distribution of zinc, combined with the inherent safety of aqueous electrolytes. This perspective examines the potential of zinc batteries for stationary energy storage, with particular focus on rechargeable zinc-air systems. We discuss the evolution of zinc battery technologies and compare zinc-air, zinc-bromine, nickel-zinc, and aqueous zinc-ion chemistries, highlighting their advantages for grid applications. Key challenges limiting rechargeable zinc battery performance are analyzed, including dendrite formation and corrosion at the zinc anode, electrolyte degradation from carbonation and evaporation, and sluggish oxygen electrocatalysis at the air cathode. Emerging strategies to address these limitations are reviewed, including advanced electrode architectures, electrolyte engineering, catalyst development, and system-level design improvements. Lastly, we outline future research directions and opportunities for developing durable, efficient, and economically viable zinc-based energy storage systems for grid-scale applications.

Aqueous electrolytes↗
DOE OSTI2025

Mechanistic Study of Functional Electrolyte Solvents for High-Voltage Lithium Batteries

The pervasive use of Ni-rich cathode active materials, e.g., LiNi 0.8 Mn 0.1 Co 0.1 O 2 (NMC811), for high-energy-density Li-ion batteries (LIBs) has been hindered by rapid battery capacity decay when cycled with high charge cutoff voltages due to electrolyte decomposition in the conventional carbonate solvent-based electrolytes, oxidative parasitic side reactions at the electrolyte/cathode interface, and irreversible phase changes in the cathode active materials leading to dissolution of transition metals into the electrolytes. Various functional electrolyte solvents have been studied to tackle the above technical challenges, yet the roles of individual solvents in the performance of LIBs remain poorly understood. Here, in this study, we systematically investigate electrochemical performance mechanisms of fluorinated and organosilicon single solvents and cosolvents, for the first time, in high-voltage Li/NMC811 batteries, using electrochemical and analytical characterizations and density functional theory modeling. We observe that some unique combinations of the functional solvents can lead to exceptionally stable high-voltage cycle performance in the Ni-rich cathode-based LIBs. Our mechanistic study reveals that the synergistic effect of solvents plays a vital role in enabling electrochemical stability at both the Ni-rich cathode and the Li metal anode. Understanding the electrochemical performance mechanisms of functional solvents can greatly help in designing and formulating advanced electrolytes that enable the development of high-voltage, high-energy-density, long-cycle-life lithium batteries.

density functional theory modeling↗
DOE OSTI2025

Asymmetric ether solvents for high-rate lithium metal batteries

Recent electrolyte solvent design based on weakening lithium-ion solvation have shown promise in enhancing cycling performance of Li-metal batteries. However, they often face slow redox kinetics and poor cycling reversibility at high rate. Here we report using asymmetric solvent molecules substantially accelerates Li redox kinetics. Asymmetric ethers (1-ethoxy-2-methoxyethane, 1-methoxy-2-propoxyethane) showed higher exchange current densities and enhanced high-rate Li 0 plating/stripping reversibility compared to symmetric ethers. Adjusting fluorination levels further improved oxidative stability and Li 0 reversibility. The asymmetric 1-(2,2,2-trifluoro)-ethoxy-2-methoxyethane, with 2 M lithium bis(fluorosulfonyl)imide, exhibited high exchange current density, oxidative stability, compact solid–electrolyte interphase (~10 nm). This electrolyte exhibited superior performance among state-of-the-art electrolytes, enabling over 220 cycles in high-rate Li (50 μm)||LiNi 0.8 Mn 0.1 Co 0.1 O 2 (NMC811, 4.9 mAh cm −2 ) cells and for the first time over 600 cycles in anode-free Cu | |Ni95 pouch cells (200 mAh) under electric vertical take-off and landing cycling protocols. Our findings on asymmetric molecular design strategy points to a new pathway towards achieving fast redox kinetics for high-power Li-metal batteries.

batteries↗
DOE OSTI2025

Addressing the Safety of Next-Generation Batteries

Owing to increasing demand for low-cost energy storage with secure material supply chains, the battery community is approaching a pivotal shift beyond conventional lithium-ion (Li-ion) towards next-generation cells. Technologies that include alkali-metal anodes, solid electrolytes and earth-abundant materials such as sodium (Na) and sulfur (S) are reaching commercialization in cells. The abuse tolerance and thermal runaway hazards of such technologies diverge from conventional Li-ion cells. Consequently, designing safe batteries with next-generation materials requires a holistic approach to characterize cells and to understand their responses to abuse conditions from the beginning to the end of life. Here we provide a Perspective on how the safety and abuse tolerance of cells are likely to change for up-and-coming technologies; challenges and opportunities for reimagining safe cell and battery designs; gaps in our knowledge; capabilities for understanding the hazards of thermal runaway and how to address them; how standard abuse tests may need to adapt to new challenges; and how research needs to support affected professionals, from pack designers to first responders, to manage hazards and ensure safe roll-out of next-generation cells into applications like electric vehicles (EVs). Finally, given the large number of next-generation technologies being explored, we encourage giving priority to safety-focused research in proportion to the rate of manufacturing scale-up of each specific technology.

25 ENERGY STORAGE↗
DOE OSTI2024

Electrochemical lithium extraction from hectorite ore

Electrochemical technologies add a unique dimension for ore refinement, representing tunable methods that can integrate with renewable energy sources and existing downstream process flows. However, the development of electrochemical extraction technologies has been impeded by the technological maturity of hydro- and pyro-metallurgy, as well as the electrical insulating properties of many metal oxide ores. The fabrication and use of carbon/insulating material composite electrodes has been a longstanding method to enable electrochemical activation. Here, using real hectorite ore, we employ this technical approach to fabricate hectorite-carbon black composite electrodes (HCCEs) and achieve electrochemical activation of hectorite. Anodic polarization results in lithium-ion release through a multi-step chemical and electrochemical mechanism that results in 50.7 ± 4.4% removal of lithium from HCCE, alongside other alkaline ions. This technical proof-of-concept study underscores that electrochemical activation of ores can facilitate lattice deterioration and ion removal from ores.

25 ENERGY STORAGE↗
DOE OSTI2026

Molecularly engineered Li compensation agent-integrated separator enabling regeneration of degraded LiFePO 4

Lithium replenishment separators (LRSs) integrating pre-lithiation agents can regenerate degraded lithium cathodes via facile reassembly with a fresh anode and the LRS. A persistent challenge is the formation of gas or solid residues during pre-lithiation. To address this, for the first time, we develop an LRS based on a molecularly engineered dilithium salt of tetrafluorohydroquinone, which compensates for lithium loss while generating decomposition products that dissolve in the electrolyte as a favorable additive, without forming gas or solid residues, thus offering a green route for lithium compensation. A pristine LiFePO 4 ‖graphite full cell with the LRS exhibits 9.3% higher overall capacity than a polypropylene separator (PPS) cell after 50 cycles at 0.5C, and the degraded LiFePO 4 ‖graphite full cell incorporating this LRS achieves a 44.9% higher capacity than the PPS-based cell after 200 cycles at 0.5C. Our LRS demonstrates strong potential for high-performance lithium-ion batteries and spent battery regeneration.

Tao, Fujun [Worcester Polytechnic Institute, MA (U↗
DOE OSTI2025

Microstructure Scale Lithium-Ion Battery Modeling: Part II. On In-Plane Heterogeneities and the Mechanisms that Regulate Them

Li-ion batteries performance and degradation are typically modeled at the macroscopic scale, that is neglecting in-plane heterogeneities that can arise from non-uniform electrode microstructures. Herein, a microstructure scale electrochemical model is used to quantify the impact of microstructure heterogeneity on cell performance during fast charging. The model predicts the electrolyte and solid concentration in-plane standard deviation can reach, respectively, ≈200 mol·m −3 and 6–7 kmol·m −3 locally. Further, the intercalation current density in-plane relative standard deviation can reach extremely high values, around 100% in the cathode and well above 100% in the anode graphite. These denote highly non-uniform lithiation rates and material utilization within each slice of the microstructure along the cell thickness. Non-uniform curvatures, at the particle scale (surface roughness) and between particles (size distribution), were found to initiate these in-plane heterogeneities, while an OCP-induced mechanism subsequently regulates them. The present model provides new insights into small length scale heterogeneity impact on battery performance not available with standard macro-scale/P2D modeling.

25 ENERGY STORAGE↗
DOE OSTI2026

Battery Performance and Cost Model (BatPaC) Version 6.0

SF-26-016 The Battery Performance and Cost model (BatPaC) is a calculation method based on Microsoft Excel spreadsheets that has been developed at Argonne for estimating the performance and manufacturing cost of lithium-ion batteries for electric-drive vehicles including hybrid-electrics (HEV), plug-in hybrids (PHEVs) and pure electrics. BatPaC was first developed in 2007, was subsequently peer reviewed, and it has served Argonne researchers and the greater battery community in studying the impact of material properties on performance at the pack level. BatPaC has been updated and re-released multiple times since its original public release in 2011. This current version is BatPaC 6.0, which contains additional functionality needed to handle advances in automotive batteries, like the use of lithium metal and silicon anodes and the need to accommodate cell expansion and apply high levels of pressure.

KNEHR, KEVIN [Argonne National Laboratory (ANL), A↗
DOE OSTI2024

CRADA Final Report: Ultralong Cycle Life and Ultrafast Charging Batteries to Electrify High Duty-Cycle, Mobile Platforms

As part of the Cyclotron Road program, Tyfast Energy Corp. aimed to investigate the Li 3 V 2 O 5 (LVO) anode material for next generation lithium batteries. State of the art and fast charging lithium-ion batteries are based on the lithium titanate or Li 4 Ti 5 O 12 (LTO) anode chemistry. LTO cells demonstrate fast charging times (<6 mins), long cycle life (>20,000 cycles), but at the expense of very low energy density (<200Wh/L, <80Wh/kg). Silicon anodes have the promise of achieving fast charging times, however, issues with cycling stability in combination with fast charging is unknown. LVO has unique properties that enable new performance window for lithium batteries. First, LVO operates at an average potential of 0.6V vs. Li/Li + , well above the Li-metal plating region allowing ultrafast charge capability without sacrificing safety. Second, the LVO has a high specific capacity of 250 mAh/g making battery pack energy density equivalent with current high-energy Li-ion chemistries.

25 ENERGY STORAGE↗