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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Advancements in nanocomposites for enhancing the performance of rechargeable lithium-ion batteries

The benefits of nanotechnology have been realized in almost every component of lithium-ion batteries. From electrodes to electrolytes, the incorporation of nanoparticles as dopants and coatings has shown marked improvements in cell cycle life, efficiency, mechanical and thermal stabilities, and lithium-ion transport. The improvements realized depends on several factors, from processing methods, nanoparticle type, structure, and concentration, to the material into which the nanoparticulate will be incorporated. Regardless of these many factors, nanotechnology has vastly improved the performance of secondary lithium-ion batteries. Here we will highlight some of the works that demonstrate these improvements and the quantitative benefits of nanotechnology.

25 ENERGY STORAGE↗
DOE OSTI2020

Electrolyte Oxidation Pathways in Lithium-Ion Batteries

The mitigation of decomposition reactions of lithium-ion battery electrolyte solutions is of critical importance in controlling device lifetime and performance. However, due to the complexity of the system, exacerbated by the diverse set of electrolyte compositions, electrode materials, and operating parameters, a clear understanding of the key chemical mechanisms remains elusive. In this work, operando pressure measurements, solution NMR, and electrochemical methods were combined to study electrolyte oxidation and reduction at multiple cell voltages. Two-compartment LiCoO 2 /Li cells were cycled with a lithium-ion conducting glass–ceramic separator so that the species formed at each electrode could be identified separately and further reactions of these species at the opposite electrode prevented. One principal finding is that chemical oxidation (with an onset voltage of ~4.7 V vs Li/Li + for LiCoO 2 ), rather than electrochemical reaction, is the dominant decomposition process at the positive electrode surface in this system. This is ascribed to the well-known release of reactive oxygen at higher states-of-charge, indicating that reactions of the electrolyte at the positive electrode are intrinsically linked to surface reactivity of the active material. Soluble electrolyte decomposition products formed at both electrodes are characterized, and a detailed reaction scheme is constructed to rationalize the formation of the observed species. The insights on electrolyte decomposition through reactions with reactive oxygen species identified through this work have a direct impact on understanding and mitigating degradation in high-voltage/higher-energy-density LiCoO 2 -based cells, and more generally for cells containing nickel-containing cathode materials (e.g., LiNi x Mn y Co z O 2 ; NMCs), as they lose oxygen at lower operating voltages.

25 ENERGY STORAGE↗
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↗
NASA NTRS2017

Assessment of lnternational Space Station (ISS) Lithium-ion Battery Thermal Runaway (TR)

This task was developed in the wake of the Boeing 787 Dreamliner lithium-ion battery TR incidents of January 2013 and January 2014. The Electrical Power Technical Discipline Team supported the Dreamliner investigations and has followed up by applying lessons learned to conduct an introspective evaluation of NASA's risk of similar incidents in its own lithium-ion battery deployments. This activity has demonstrated that historically NASA, like Boeing and others in the aerospace industry, has emphasized the prevention of TR in a single cell within the battery (e.g., cell screening) but has not considered TR severity-reducing measures in the event of a single-cell TR event. center dotIn the recent update of the battery safety standard (JSC 20793) to address this paradigm shift, the NASA community included requirements for assessing TR severity and identifying simple, low-cost severity reduction measures. This task will serve as a pathfinder for meeting those requirements and will specifically look at a number of different lithium-ion batteries currently in the design pipeline within the ISS Program batteries that, should they fail in a Dreamliner-like incident, could result in catastrophic consequences. This test is an abuse test to understand the heat transfer properties of the cell and ORU in thermal runaway, with radiant barriers in place in a flight like test in on orbit conditions. This includes studying the heat flow and distribution in the ORU. This data will be used to validate the thermal runaway analysis. This test does not cover the ambient pressure case. center dotThere is no pass/ fail criteria for this test.

Graika, Jason↗
DOE OSTI2023

Removal of impurity Metals as Phosphates from Lithium-ion Battery leachates

Recovery of critical materials from end-of life (EOL) lithium-ion batteries (LIB) is gaining interest as demands for materials grows. Hydrometallurgical processes start with an intermediate product known as black mass which contains critical materials of interest (Co, Ni, Li, and graphite) as well as impurities such as Cu, Al, and Fe. These impurities are deleterious to downstream separation processes, as well as impact functionality of the final products. Here, these impurities effectively compete with most solvent extraction (SX) and metal recovery processes to diminish the overall yields of the desired materials. In this work, a process flowsheet is presented where a previously reported electrochemical leaching (ECL) process is followed by selective precipitation using diammonium hydrogen phosphate (DAP) to remove Cu, Al, and Fe from LIB leachate solutions. The electrochemical leach process removes Cu and produces a pH-adjusted leachate, ca. pH 2, without requiring an extra Cu extraction step. The addition of the precipitant DAP to leachate by slightly adjusting the pH to 3–4 at 45 °C, precipitates 95–99% of Al and Fe as their phosphates and the leachate retains >95% of Co, Ni and Li. After the filtration of phosphate impurities, the solution is ready for further processing, such as SX. As an unexpected result from the leachate processing, 20–30% of the Ni and Co co-crystalize as the double salt after cooling to room temperature, which could provide a shorter route to their recovery.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Cost‐Effective Layered Oxide – Olivine Blend Cathodes for High‐Rate Pulse Power Lithium‐Ion Batteries

Abstract Sustainability and supply‐chain concerns require lithium‐ion batteries (LIBs) free from critical minerals, such as nickel and cobalt. While recent advances provide encouraging signs that cobalt can be removed, the question remains how much Ni can be removed from Co‐free layered oxide cathodes before sacrificing critical performance metrics. This study highlights the effect of reducing Ni by benchmarking several Co‐free cathodes with decreasing Ni content. Keeping the energy density the same by increasing the charge voltage, cathodes below 80% Ni content exhibit worsened capacity fade due to increasing oxygen release and electrolyte decomposition. Charge transfer and diffusion kinetics are also hindered with increasing Mn content and exacerbated by resistive surface phases formed at high voltages, rendering lower‐Ni, Co‐free cathodes less competitive than high‐Ni cathodes for high energy and power applications. It is demonstrated blending layered oxide with olivine as an effective alternative to deliver energy density and cycling stability comparable to lower‐Ni cathodes with moderate charging voltages. Blending with 30 wt% olivine LiMn 0.5 Fe 0.5 PO 4 (LMFP) virtually eliminates the diffusion limitation of layered oxides at low state‐of‐charge, with enhanced pulse power characteristics rivaling the high‐Ni counterparts. Cathode blending can further reduce the overall Ni content and cost without the performance limitations of lower‐Ni, Co‐free cathodes.

Lee, Steven↗
DOE OSTI2021

Intelligence-assisted predesign for the sustainable recycling of lithium-ion batteries and beyond

The unprecedented consumption of lithium-ion batteries (LIBs) is occurring to meet the needs of modern transportation electrification. Recycling-friendly designs intrinsically facilitate the long-term sustainable utilization of natural resources, reducing the detrimental impacts of spent LIBs on the environment, and improving the economic viability of recycling. For this, we propose the incorporation of an intelligence-assisted predesign strategy into the battery-management system and battery chemistry, including ameliorating the traceability of battery structure and operation status, promoting cost-effective material sorting and separation, and adopting sustainable battery materials. The purposeful predesign of intelligent “Reuse–Refurbish–Recover” (3R) LIBs could be realized in an economically and environmentally sustainable (EES) manner. We report the intelligence-assisted predesign strategy will promote multi-disciplinary cooperation in a systematic and synergetic way; in addition, it will empower governments to establish and implement a series of regulations and standards for addressing the environmental pollution issues from spent batteries, thus avoiding the ever-increasing consumption of natural resources.

25 ENERGY STORAGE↗
DOE OSTI2020

Real-time Nonlinear Model Predictive Control (NMPC) Strategies using Physics-Based Models for Advanced Lithium-ion Battery Management System (BMS)

Optimal operation of lithium-ion batteries requires robust battery models for advanced battery management systems (ABMS). A nonlinear model predictive control strategy is proposed that directly employs the pseudo-two-dimensional (P2D) model for making predictions. Using robust and efficient model simulation algorithms developed previously, the computational time of the nonlinear model predictive control algorithm is quantified, and the ability to use such models for nonlinear model predictive control for ABMS is established.

25 ENERGY STORAGE↗
NASA NTRS2018

GOES-R Lithium-Ion Battery Life Test & Workhorse Battery Performance

The GOES R series lithium-ion battery life test results are presented for the next-generation GOES R series weather satellites. Lockheed Martin is under contract to NASA Goddard to build and deliver four GOES-R series satellites which are operated by NOAA. In addition, Lockheed Martin is required to build a GOES R series flight battery to flight drawings and processes and perform an accelerated geosynchronous earth-orbiting (GEO) life test consisting of 30 real-time eclipse seasons and 30 accelerated solstice seasons. The GOES R series batteries are designed and built by Saft America, Inc. Space and Defense Division in Cockeysville, MD with Saft VL48E cells. The GOES R series life test battery which has been built to flight drawings and processes has undergone 21 seasons of accelerated GEO testing (which is equivalent to over 10 years on-orbit). This presentation includes a description of the life test and latest test results through season 20. The life test battery capacity measurements prior to cycling and after seasons 4, 10, and 20 which have shown little or no change are summarized. In addition, the performance of the GOES R series workhorse batteries performance are presented. These GOES R series workhorse batteries are used during spacecraft testing and have shown no discernable capacity loss after 7 years of mostly ambient operation and cold storage since activation. An overview of the electrical power subsystem and battery charge is, also, addressed.

Tucker, Jon↗
DOE OSTI2025

The Origin of Improved Performance in Boron‐Alloyed Silicon Nanoparticle‐Based Anodes for Lithium‐Ion Batteries

Stabilizing the solid electrolyte interphase (SEI) remains a key challenge for silicon‐based lithium‐ion battery anodes. Alloying silicon with secondary elements like boron has emerged as a promising strategy to improve the cycle life of silicon anodes, yet the underlying mechanism remains unclear. To address this knowledge gap, how boron concentration influences battery performance is systematically investigated. These results show a near‐monotonic increase in cycle lifetime with higher boron content, with boron‐rich electrodes significantly outperforming pure silicon. Additionally, silicon‐boron alloy anodes exhibit nearly three times longer calendar life than pure silicon. Through detailed mechanistic analysis, alternative contributing factors are systematically ruled out, and it is proposed that improved passivation arises from a strong permanent dipole at the nanoparticle surface. This dipole, formed by undercoordinated and highly Lewis acidic boron, creates a static, ion‐dense layer that stabilizes the electrochemical interface, reducing parasitic electrolyte decomposition and enhancing long‐term stability. These findings suggest that, within the SEI framework, the electric double layer is an important consideration in surface passivation. This insight provides an underexplored parameter space for optimizing silicon anodes in next‐generation lithium‐ion batteries.

25 ENERGY STORAGE↗
DOE OSTI2025

Customizable Technical Specifications for Lithium-Ion Battery Storage Projects

Learn how to navigate the FEMP Lithium-ion Battery Storage Technical Specifications, a key resource for federal agencies developing onsite energy storage projects. This webinar, led by technical experts, will provide a step-by-step walkthrough of the specifications, supplemented with a real-world case study. Gain practical insights to support successful battery storage project development and implementation.

25 ENERGY STORAGE↗
DOE OSTI2021

Layered Heterostructure Ionogel Electrolytes for High‐Performance Solid‐State Lithium‐Ion Batteries

Abstract Ionogel electrolytes based on ionic liquids and gelling matrices offer several advantages for solid‐state lithium‐ion batteries, including nonflammability, wide processing compatibility, and favorable electrochemical and thermal properties. However, the absence of ionic liquids that are concurrently stable at low and high potentials constrains the electrochemical windows of ionogel electrolytes and thus their high‐energy‐density applications. Here, ionogel electrolytes with a layered heterostructure are introduced, combining high‐potential (anodic stability: >5 V vs Li/Li + ) and low‐potential (cathodic stability: <0 V vs Li/Li + ) imidazolium ionic liquids in a hexagonal boron nitride nanoplatelet matrix. These layered heterostructure ionogel electrolytes lead to extended electrochemical windows, while preserving high ionic conductivity (>1 mS cm −1 at room temperature). Using the layered heterostructure ionogel electrolytes, full‐cell solid‐state lithium‐ion batteries with a nickel manganese cobalt oxide cathode and a graphite anode are demonstrated, exhibiting voltages that are unachievable with either the high‐potential or low‐potential ionic liquid alone. Compared to ionogel electrolytes based on mixed ionic liquids, the layered heterostructure ionogel electrolytes enable higher stability operation of full‐cell lithium‐ion batteries, resulting in significantly enhanced cycling performance.

Hyun, Woo Jin↗
DOE OSTI2022

Insight into the Fast-Rechargeability of a Novel Mo 1.5 W 1.5 Nb 14 O 44 Anode Material for High-Performance Lithium-Ion Batteries

Wadsley–Roth phased niobates are promising anode materials for lithium-ion batteries, while their inherently low electrical conductivity still limits their rate-capability. Herein, a novel doped Mo 1.5 W 1.5 Nb 14 O 44 (MWNO) material is facilely prepared via an ionothermal-synthesis-assisted doping strategy. The detailed crystal structure of MWNO is characterized by neutron powder diffraction and aberration corrected scanning transmission electron microscope, unveiling the full occupation of Mo 6+ -dopant at the t1 tetrahedral site. In half-cells, MWNO exhibits enhanced fast-rechargeability. In this work, the origin of the improved performance is investigated by ultraviolet–visible diffuse reflectance spectroscopy, density functional theory (DFT) computation, and electrochemical impedance spectroscopy, revealing that bandgap narrowing improves the electrical conductivity of MWNO. Furthermore, operando X-ray diffraction elucidates that MWNO exhibits a typical solid-solution phase conversion-based lithium-ion insertion/extraction mechanism with reversible structural evolution during the electrochemical reaction. The boosted lithium-ion diffusivity of MWNO, due to the Mo 6+ /W 6+ doping effect, is confirmed by a galvanostatic intermittent titration technique and DFT. With the simultaneously enhanced electrical conductivity and lithium-ion diffusivity, MWNO successfully demonstrates its fast-rechargeability and practicality in the LiNi 0.5 Mn 1.5 O 4 -coupled full-cells. Therefore, this work illustrates the potential of ionothermal synthesis in energy storage materials and provides a mechanistic understanding of the doping effect on improving material's electrochemical performance.

25 ENERGY STORAGE↗
DOE OSTI2025

Systematic feature design for cycle life prediction of lithium-ion batteries during formation

Optimization of the formation step in lithium-ion battery manufacturing is challenging due to limited physical understanding of solid-electrolyte interphase formation and the long testing time (∼100 days) for cells to reach the end of life. We propose a systematic feature-design framework that requires minimal domain knowledge for accurate cycle life prediction during formation. By only using two simple Q (V) features designed from our framework, extracted from formation data without any additional diagnostic cycles, we achieved an average of 9.87% error for cycle life prediction. Here, the physics-based investigation guided by the two designed features shows that the voltage ranges identified by our framework capture the effects of formation temperature and microscopic-particle resistance heterogeneity. By designing highly predictive, robust, and interpretable features, our approach can accelerate industrial battery formation research, leveraging the interplay between data-driven feature design and mechanistic understanding.

25 ENERGY STORAGE↗
DOE OSTI2023

Rational Design of Fluorinated Electrolytes for Low Temperature Lithium‐Ion Batteries

Abstract Nonaqueous carbonate electrolytes are commonly used in commercial lithium‐ion battery (LIB). However, the sluggish Li + diffusivity and high interfacial charge transfer resistance at low temperature (LT) limit their wide adoption among geographical areas with high latitudes and altitudes. Herein, a rational design of new electrolytes is demonstrated, which can significantly improve the low temperature performance below −20 °C. This electrolyte is achieved by tailoring the chemical structure, i.e., altering the fluorination position and the degree of fluorination, of ethyl acetate solvent. It is found that fluorination adjacent to the carbonyl group or high degree of fluorination leads to a stronger electron‐withdrawing effect, resulting in low atomic charge on the carbonyl oxygen solvating sites, and thus low binding energies with Li + ions at LT. The optimal electrolyte 2,2,2‐trifluoroethyl acetate (EA‐f) shows significantly improved cycle life and C‐rate of a NMC622/graphite cell when cycled at −20 °C and −40 °C, respectively. In addition to superior LT performance, the electrolyte is nonflammable and tolerant for high voltage charging all owing to its fluorine content. This work provides guidance in designing next‐generation electrolytes to address the critical challenge at subzero temperatures.

25 ENERGY STORAGE↗
DOE OSTI2025

Polyethylene Glycol Surface Modification and Polythiophene Side-Chain Chemistry: A Combined Strategy toward High-Capacity Lithium-Ion Battery Anodes

In the development of high-capacity lithium-ion batteries (LIBs), the combined optimization of active material interfaces and polymer binder chemistry plays a critical role in improving electrode performance and longevity. This work explores a dual design strategy incorporating polyethylene glycol (PEG) surface modification and carboxylated polythiophene side-chain tailoring to enhance the electrochemical behavior of magnetite (Fe 3 O 4 )-based anodes. PEG is employed to improve interfacial stability, while carboxylated polythiophene binders with varying alkyl side-chain lengths─poly[3-(potassium-4-butanoate)thiophene-2,5-diyl] (P3KBT), poly[3-(potassium-5-pentanoate)thiophene-2,5-diyl] (P3KPT), and poly[3-(potassium-6-hexanoate)thiophene-2,5-diyl] (P3KHT)─are used to modulate molecular interactions and ion transport. Among these three analogs, the PEG–Fe 3 O 4 –P3KHT electrode exhibits superior ion-transfer kinetics, the highest capacity retention, and the lowest charge-transfer resistance after extended cycling. Compared to their non-PEG analogs, PEG-coated electrodes demonstrate enhanced structural integrity and electrochemical behavior, emphasizing the synergistic effects of surface modification and side-chain chemistry. These findings highlight the importance of interfacial interactions and molecular design in achieving robust and high-performance composite anodes for next-generation LIBs.

Fe3O4↗
DOE OSTI2025

Concavity-based local erosion and sphere-size-based local dilation applied to lithium-ion battery electrode microstructures for particle identification

Performance metrics of lithium-ion batteries can be extracted from the analysis of electrode microstructures nanoscale imaging. The characterization workflow can involve a challenging particle identification, or instance segmentation, step. In this work, we propose a new identification method based on an original transformation: a sphere-size-based local dilation followed by a concavity-based local erosion, that is local morphology closing. The new transformation is much more efficient than the global morphology closing, with correct identification achieved with only 1.7 % dilation volume and 2.6 % erosion volume on a test geometry, compared to 39.2 % and more than 50 %, respectively, with its global counterpart. The new method has been then benchmarked versus other identification algorithms (watershed and pseudo coulomb repulsive field) on a real electrode microstructure with equal or better segmentation achieved.

25 ENERGY STORAGE↗
DOE OSTI2022

Coal-derived graphene foam and micron-sized silicon composite anodes for lithium-ion batteries

Silicon-based materials demonstrate significant potential as lithium-ion batteries (LIBs) anode, but their expansion and degradation present engineering design challenges for commercial application. In this study, a porous three-dimensional (3D) graphene and micron-sized silicon composite anode (Si@G foam) was synthesized using humic acid (HA) derived from coal as a graphene precursor. In-situ formation of graphene structure through reducing HA was confirmed by Raman spectra. The reduced HA (rHA) shows similar electrical conductivity compared to the commercial conductive carbon. SEM images depict a 3D skeleton of coal-derived graphene, with silicon particles distributed on the 3D graphene foam's internal surface. The Si@G composite-anode displays a good reversible capacity of ~656 mAh/g at a current density of 50 mA/g, as well as a high-rate capability of ~433 mAh/g at a current density of 800 mA/g, and outstanding cycling stability –89.8% capacity retention after 300 cycles, which is significantly higher than that of other foam structures. During lithiation and de-lithiation, the graphene foam serves as a matrix of electrical conductors and a volume expansion support for silicon. This 3D graphene network will be beneficial for developing advanced silicon-based anodes for high-performance LIBs.

25 ENERGY STORAGE↗