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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 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Advanced Brine Processing to Enable U.S. Lithium Independence (CRADA Report)

Current production of LiOH, which is needed to make Li-ion battery cathode active materials, utilizes a multistep process including solar evaporation, precipitation with Na 2 CO 3 and then conversion to LiOH using Ca(OH) 2 . This process requires a large amount of land area for solar evaporation, the right weather conditions, and chemicals for the conversion process that result in NaCl and CaCO 3 waste products. The production of Ca(OH) 2 is very energy intensive and evolves significant quantities of CO 2 . An alternative process flow utilizing direct lithium extraction techniques, followed by a chemical free conversion process can have benefits in reducing the needed land requirements and chemicals for traditional brine processing. There are many potential direct lithium extraction technologies that are currently being developed. The direct lithium extraction process from typical brine sources will produce a LiCl solution with some impurities including typically high concentrations of Na. This brine then needs to be converted to LiOH for use in battery cathode production. Ideally this conversion could occur without the use of additional chemicals. Electrochemistry can do this conversion either via electrolysis or bipolar membrane electrodialysis (BPED) to produce LiOH and HCl in solution. BPED utilized bipolar membranes to split water, which has a reduced potential as compared to splitting water at electrodes into hydrogen and oxygen gas. This reduced potential required results in a significant energy savings for BPED over electrolysis methods. This CRADA project aimed to develop such an integrated process using direct lithium extraction followed by BPED to produce a LiOH solution. That solution can then be crystallized into battery grade LiOH. In particular, Albemarle utilized a direct lithium extraction process to produce a concentrated LiCl solution that could be used for the BPED process. The BPED process was first tested using various LiCl solutions with impurity ions added at bench scale to understand the effects of impurities and determine processing parameters. Then testing was performed using the direct lithium extracted brine at the bench scale before scaling the process up. After the process was scaled up a long duration test was carried out to estimate the lifetime of the membranes, which is key to the economics of the BPED process.

25 ENERGY STORAGE↗
DOE OSTI2023

Analysis of Deformation and Fracture Mechanisms in the Harvested Low-Dose Baffle Former Bolt via Advanced Mechanical Tests

This report details the production of tensile specimens from in-service irradiated baffle former bolts (BFBs) and presents the results of a pilot in-situ SEM/EBSD test conducted at Oak Ridge National Laboratory’s Low Activation Materials Development and Analysis (LAMDA) facility. The SEM/EDS results confirmed that the material is AISI 316L steel, not AISI 347, and that no Nb addition was detected in several analyzed locations. EBSD analysis of the microstructure revealed in-grain misorientation gradients indicative of cold work, likely caused by material processing, and no retained ferrite was identified. During straining, dislocation channel formation was the primary deformation mechanism, with twinning also observed in favorably oriented grains at local strains as small as ~1.5%. No strain-induced phase instability was observed, likely due to the fact that the Ni and Cr content reached the upper limits for the 316L steel specification. Multiple microfracture events were observed during the tensile test. Fine strain-induced pores formed at the channel-grain boundary intersection points, while coarser microcracks were associated with non-metallic inclusions. Data analysis is ongoing, and additional tests are planned in the near future to provide more statistics and details.

36 MATERIALS SCIENCE↗
DOE OSTI2026

ICL Commercial Production of Lithium Iron Phosphate Cathode Powder for the Global Lithium Battery Industry Final Technical Report

ICL was investing in producing cathode active material, Lithium Iron Phosphate (LFP), used in the production of batteries for both electric vehicles and stationary storage. The demand for LFP was increasing with the global focus on sustainable energy, and there was no current manufacturer of this material in the United States. As such, imported LFP is subject to the uncertainties around supply chain and control of a foreign supplier. This investment would have allowed ICL to be a United States leader in LFP production. To gain a position in this market, ICL licensed the technology from a firm that has the process technology and has reliably supplied LFP into the battery market and currently has customers purchasing their product.

25 ENERGY STORAGE↗
DOE OSTI2026

Singlet Fission

This report summarizes key findings from DOE Award DE‑SC0007004 – Singlet Fission, documenting more than a decade of research led by Professor Josef Michl. The project advanced foundational understanding of singlet fission (SF) through integrated synthetic, spectroscopic, crystallographic, and computational studies. Across a diverse set of chromophores—including tetracenes, cibalackrot derivatives, BODIPY dimers, TDPPs, and fluorinated isobenzofurans—the team identified structural and packing features that enable or inhibit SF, clarified the roles of charge‑transfer intermediates and excimer formation, and developed simplified theoretical models and computational screening tools for predicting optimal geometries and excited‑state-energetics. The work significantly broadened design principles for SF‑active materials and provided insights relevant to next‑generation solar energy conversion and molecular photophysics.

14 SOLAR ENERGY↗
DOE OSTI2025

High Throughput Solvent-free Manufacturing of Battery Electrodes

The project goal is to develop and demonstrate an advanced solvent-free lithium-ion battery electrode process through proposed Advanced Dry Electrode Process (ADEP) equipment, which is expected to exhibit a better binder fibrillization and high throughput and suitable for high performance electrode manufacturing, and commonize the anode and cathode dry processing equipment, supply chain and operation for lithium-ion battery OEMs for replacing the solvent-based slurry casting. Our proposed approach will facilitate low-cost battery production by addressing the following gaps in present dry electrode processing: • Extend the dry electrode fabrication process to lithium-ion battery anode manufacturing • Increase the active material content for anodes and cathodes • Intensify the process through improved mixing, powder rheology and surface modifications • Enable processing of next-generation electrode materials that are not stable to solvent or ambient air exposure. The project objectives include the development of anode-compatible binder and binder fibrillization promoter for low irreversible capacity loss, low electrode binder content yet higher film mechanical strength, and the optimization of solvent-free anode and cathode process for low cost (>60% electrode cost reduction), high performance (10% increase in energy density without sacrificing cycle life) and high throughput to enable next generation lithium-ion battery electrode production. Solvent-free electrode manufacturing will also enable next-generation cell designs based on prelithiated anodes or solid-state electrolytes.

25 ENERGY STORAGE↗
DOE OSTI2026

Multiscale Cryo Electron Microscopy Reveals Interfacial Degradation and Stabilization in Battery Electrodes

Electrochemical interfaces are dynamic systems, evolving based on their local environment and reactant surface structures. The electrode-electrolyte interface in Li-ion batteries can be protective, limiting parasitic reactions with the electrolyte to passivate the surface [1]. Additionally, this interphase has an impact on the Li-ion transport through that layer based on its composition, bonding environment, and thickness. These parameters are challenging to collect and may vary depending on the electrode surface site investigated relative to its spatial position in a coin cell. This study will detail a multiscale cryogenic electron microscopy approach where millimeter-scale cross-sections through the coin cell batteries were made using a cryogenic stage within a fs-laser plasma focused ion beam (laser PFIB) with complementary energy dispersive X-ray spectroscopy able to detect variations in the composition at electrode interfaces [2]. Microscale cross-sectioning and lamella sample preparation of battery electrodes was conducted at the Center for Integrated Nanotechnologies using a Ga-ion focused ion beam (FIB) with air-free and cryo-transfer [3], followed by nanoscale mapping of composition and bonding within the CEI through cryo-scanning transmission electron microscopy (cryo-STEM) electron energy loss spectroscopy [4]. This multiscale approach enabled identification of millimeter-scale features of a battery stack with visualization of degradation in electrodes such as cracks in cathode particles, gas evolution, and SEI evolution; microscale interfacial characteristics, such as heterogeneity in the SEI or barrier layer and identification of electrolyte networks to the electrode surfaces; and nanoscale measurement of the CEI thickness, mapping of transition metal bonding within the cathode particles to identify loss of active materials, and identification of beneficial electrolyte additives incorporated into the CEI structure. This multiscale approach allows for a statistical understanding of the primary mechanisms and parasitic degradation pathways that impact performance by limiting the ion transport pathways within Li+ batteries.

36 MATERIALS SCIENCE↗
DOE OSTI2020

A Micelle Electrolyte Enabled by Fluorinated Ether Additives for Polysulfide Suppression and Li Metal Stabilization in Li-S Battery

The Li-S battery is a promising next-generation technology due to its high theoretical energy density (2600 Wh kg -1 ) and low active material cost. However, poor cycling stability and coulombic efficiency caused by polysulfide dissolution have proven to be major obstacles for a practical Li-S battery implementation. In this work, we develop a novel strategy to suppress polysulfide dissolution using hydrofluoroethers (HFEs) with bi-functional, amphiphlic surfactant-like design: a polar lithiophilic "head" attached to a fluorinated lithiophobic "tail." A unique solvation mechanism is proposed for these solvents whereby dissociated lithium ions are readily coordinated with lithiophilic "head" to induce self-assembly into micelle-like complex structures. Complex formation is verified experimentally by changing the additive structure and concentration using small angle X-ray scattering (SAXS). These HFE-based electrolytes are found to prevent polysulfide dissolution and to have excellent chemical compatibility with lithium metal: Li||Cu stripping/plating tests reveal high coulombic efficiency (>99.5%), modest polarization, and smooth surface morphology of the uniformly deposited lithium. Li-S cells are demonstrated with 1395 mAh g-1 initial capacity and 71.9% retention over 100 cycles at >99.5% efficiency-evidence that the micelle structure of the amphiphilic additives in HFEs can prohibit polysulfide dissolution while enabling facile Li + transport and anode passivation.

25 ENERGY STORAGE↗
DOE OSTI2023

Non-reactive facet specific adsorption as a route to remediation of chlorinated organic contaminants

The present work quantifies metal-contaminant interactions between palladium substrates and three salient chlorinated organic contaminants, namely trichloroethylene 1,3,5-trichlorobenzene (TCB), and 3,3′,4,4′-tetrachlorobiphenyl (PCB77). Given that Pd is one of the conventional catalytically active materials known for contaminant removal, maximizing catalytic efficiency through optimal adsorption dynamics reduces the cost of remediation of contaminants that are persistent water pollutants chronically affecting public health. Adsorption efficiency analyses from all-atom molecular dynamics (MD) simulations advance the understanding of reaction mechanisms available from density functional theory (DFT) calculations to an extractable feature scale that can fit the parametric design of supported metal catalytic systems and feed into high throughput catalyst selection. Data on residence time, site-specific adsorption, binding energies, packing geometries, orientation profiles, and the effect of adsorbate size show the anomalous behaviour of organic contaminant adsorption on the undercoordinated {110} surface as compared to the {111} and {100} surfaces. The intermolecular interaction within contaminants from molecular dynamics simulation exhibits refreshing results than ordinary single molecule density functional theory calculation. Since complete adsorption and dechlorination is an essential step for chlorinated organic contaminant remediation pathways, the presented profiles provide essential information for designing efficient remediation systems through facet-controlled palladium nanoparticles.

Guo, Hao↗
DOE OSTI2025

REDOTHERM: a thermodynamic modeling framework for redox-based thermochemical processes

Two-step thermochemical redox cycles are being developed as a potential pathway for the production of hydrogen and syngas. While there are many possible reactor and system configurations, moving oxide systems are considered promising in terms of the redox thermodynamics, due to the potential implementation of a countercurrent system that can achieve higher performance compared to other configurations. There is a lack of a robust thermodynamic modeling framework in the field, with multiple models incorporating incorrect thermodynamic assumptions that violate the second law of thermodynamics. We present in this work REDOTHERM, an open-source system model for moving oxides that incorporates the correct thermodynamic limits, as well as various options for the system auxiliary units including product separation, heat recovery, and oxygen removal. The model is agnostic to the energy source, and could be used for solar thermal or other configurations. We highlight the uses of this model, presenting some of the tradeoffs and challenges in redox-active material selection and how they affect the entire thermochemical hydrogen production process. This model could be easily adapted and used for material exploration, system/reactor design, and technoeconomic analysis.

08 HYDROGEN↗
DOE OSTI2024

Li-Ion Battery Thermal Characterization for Thermal Management Design

Battery design efforts often prioritize enhancing the energy density of the active materials and their utilization. However, optimizing thermal management systems at both the cell and pack levels is also key to achieving mission-relevant battery design. Battery thermal management systems, responsible for managing the thermal profile of battery cells, are crucial for balancing the trade-offs between battery performance and lifetime. Designing such systems requires accounting for the multitude of heat sources within battery cells and packs. This paper provides a summary of heat generation characterizations observed in several commercial Li-ion battery cells using isothermal battery calorimetry. The primary focus is on assessing the impact of temperatures, C-rates, and formation cycles. Moreover, a module-level characterization demonstrated the significant additional heat generated by module interconnects. Characterizing heat signatures at each level helps inform manufacturing at the design, production, and characterization phases that might otherwise go unaccounted for at the full pack level. Further testing of a 5 kWh battery pack revealed that a considerable temperature non-uniformity may arise due to inefficient cooling arrangements. To mitigate this type of challenge, a combined thermal characterization and multi-domain modeling approach is proposed, offering a solution without the need for constructing a costly module prototype.

25 ENERGY STORAGE↗
DOE OSTI2024

Impacts of Curing-Induced Phase Segregation in Silicon Nanoparticle-Based Electrodes

We report the investigation of silicon nanoparticle composite anodes for Li-ion batteries, using a combination of two nm-scale atomic force microscopy-based techniques: scanning spreading resistance microscopy for electrical conduction mapping and contact resonance and force volume for elastic modulus mapping, along with scanning electron microscopy-based energy dispersion spectroscopy, nanoindentation, and electrochemical analysis. Thermally curing the composite anode—made of polyethylene oxide-treated Si nanoparticles, carbon black, and polyimide binder—reportedly improves the anode electrochemical performance significantly. This work demonstrates phase segregation resulting from thermal curing, where alternating bands of carbon and silicon active material are observed. This electrode morphology is retained after extensive cycling, where the electrical conduction of the carbon-rich bands remains relatively unchanged, but the mechanical modulus of the bands decreases distinctly. These electrical and mechanical factors may contribute to performance improvement, with carbon bands serving as a mechanical buffer for Si deformation and providing electrical conduction pathways. This work motivates future efforts to engineer similar morphologies for mitigating capacity loss in silicon electrodes.

25 ENERGY STORAGE↗
DOE OSTI2026

Strategies for Enhancing Battery Life Under Fast Charging: Insights from NMC-Based Cell Cycling

Fast charging improves the usability of consumer electronics and electric vehicles (EVs) by reducing range anxiety and downtime but accelerates battery degradation and raises safety concerns. Optimizing operational conditions during fast-charging is critical to mitigating aging and ensuring safety. This study evaluated multilayer Gr/NMC811 cells under various conditions, including depths of discharge (DODs of 68%, 84%, and 100%), upper charge cutoff voltages (4.1–4.2 V), and post-charge rest periods (2–30 min), using a 20 min fast charging protocol for up to 500 cycles (up to 150,000 miles of EV use assuming 3.3 mi/kWh vehicle level energy efficiency). Surprisingly, higher DODs under fast charging improved battery life and performance compared to lower DODs. Reducing the upper charge cut-off voltage helped mitigate degradation. A brief 2 min rest period after charging further reduced aging effects. The primary aging modes were loss of lithium inventory and cathode active material. Although minor lithium plating was observed within 500 cycles, it did not affect performance significantly. These findings suggest that, with optimized conditions, cells can sustain hundreds of fast charge cycles—equivalent to over 100,000 miles of EV use—without significant adverse effects on performance or longevity.

25 - ENERGY STORAGE↗
DOE OSTI2021

Organic Solvent Free Process to Fabricate High Performance Silicon/Graphite Composite Anode

Cycling stability is a key challenge for application of silicon (Si)-based composite anodes as the severe volume fluctuation of Si readily leads to fast capacity fading. The binder is a crucial component of the composite electrodes. Although only occupying a small amount of the total composite mass, the binder has major impact on the long-term electrochemical performance of Si-based anodes. In recent years, water-based binders including styrene-butadiene rubber (SBR) and carboxymethyl cellulose (CMC) have attracted wide research interest as eco-friendly and low-cost alternatives for the conventional poly(vinylidene difluoride) (PVDF) binder in Si anodes. In this study, Si-based composite anodes are fabricated by simple solid mixing of the active materials with subsequent addition of SBR and CMC binders. This approach bypasses the use of toxic and expansive organic solvents. The factors of binder, silicon, and graphite materials have been systematically investigated. It is found that the retained capacities of the anodes are more than 440 mAh/g after 400 cycles. These results indicate that organic solvent free process is a facile strategy for producing high performance silicon/graphite composite anodes.

Fang, Chen (ORCID:0000000321011991)↗
DOE OSTI2021

Viscosity Analysis of Battery Electrode Slurry

We report the effects of component ratios and mixing time on electrode slurry viscosity. Three component quantities were varied: active material (graphite), conductive material (carbon black), and polymer binder (carboxymethyl cellulose, CMC). The slurries demonstrated shear-thinning behavior, and suspension properties stabilized after a relatively short mixing duration. However, micrographs of the slurries suggested their internal structures did not stabilize after the same mixing time. Increasing the content of polymer binder CMC caused the greatest viscosity increase compared to that of carbon black and graphite.

25 ENERGY STORAGE↗
DOE OSTI2026

All-organic self-separating three-dimensionally nanoarchitected electrochemical energy storage devices

This work realizes a three-dimensionally (3D) nanoarchitected, all organic, "self-separating" lithium-ion electrochemical energy storage (EES) device that is cycled as a solid-state full cell. The device is enabled by a monolithic carbon anode with a co-continuous pore network, derived from the structure direction of resols by an ultra-large molar mass block copolymer (BCP), poly(styrene-block-2-dimethylaminoethyl methacrylate) (SA). Electropolymerization of a single-phase conductive and redox-active material, poly((2,3-dihydrothieno[3,4-b][1,4]dioxin-2-yl)methyl 9,10-dioxo-9,10-dihydroanthracene-2-carboxylate) (PAQEDOT), into the pore space provides the cathode of the cell. The device is electronically contacted to the relevant electrode network enabled by the co-continuous nature of each electrode. Electrochemical processing via cycling against external lithium in an electrolyte generates a solid electrolyte interphase (SEI) as a separator and lithiates the cell electrodes, after which the EES device is cycled in the solid state. While the full cell does not demonstrate high cyclability, the best full cell demonstrates a discharge capacity of 267 milliamp hours per gram (mAh/g). This work marks, to the best of knowledge of the authors, the first example of an all-organic materials derived 3D nanoarchitected EES device, as well as the first design of "self-separating" cell fabrication. Furthermore, generalization of the design to another co-continuous carbon form factor is demonstrated.

FOS: Physical sciences↗
DOE OSTI2020

Battery cell engineering and design to reach high energy

Improved high energy capacity designs for lithium ion batteries are described that take advantage of the properties of high specific capacity anode active compositions and high specific capacity cathode active compositions. In particular, specific electrode designs provide for achieving very high energy densities. Furthermore, the complex behavior of the active materials is used advantageously in a radical electrode balancing design that significantly reduced wasted electrode capacity in either electrode when cycling under realistic conditions of moderate to high discharge rates and/or over a reduced depth of discharge.

25 ENERGY STORAGE↗
DOE OSTI2020

Hybrid anodes for energy storage devices

Energy storage devices having hybrid anodes can address at least the problems of active material consumption and anode passivation that can be characteristic of traditional batteries. The energy storage devices each have a cathode separated from the hybrid anode by a separator. The hybrid anode includes a carbon electrode connected to a metal electrode, thereby resulting in an equipotential between the carbon and metal electrodes.

25 ENERGY STORAGE↗