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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 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Process for making manganese dioxide and its polymorphs reversible

A method of forming a layered manganese dioxide for use in a cathode of a battery comprises disposing a cathode into a housing of an electrochemical cell, disposing an anode into the housing, disposing a polymeric separator between the anode and the cathode such that the anode and the cathode are electrically separated, adding an alkaline electrolyte to the housing, cycling the electrochemical cell into the 2nd electron capacity of the manganese dioxide, and forming a layered manganese dioxide having a layered manganese dioxide structure with the one or more additives incorporated into the layered manganese dioxide structure. The cathode comprising a cathode material comprising: a manganese dioxide compound, one or more additives selected from the group consisting of bismuth, copper, tin, lead, silver, cobalt, nickel, magnesium, aluminum, potassium, lithium, calcium, gold, antimony, iron, zinc, and combinations thereof, and a conductive carbon.

Yadav, Gautam G.↗
DOE OSTI2023

ϵ-VOPO 4 cathode for lithium ion batteries

The epsilon polymorph of vanadyl phosphate, ε-VOPO 4 , made from the solvothermally synthesized H 2 VOPO 4 , is a high density cathode material for lithium-ion batteries optimized to reversibly intercalate two Li-ions to reach the full theoretical capacity at least 50 cycles with a coulombic efficiency of 98%. This material adopts a stable 3D tunnel structure and can extract two Li-ions per vanadium ion, giving a theoretical capacity of 305 mAh/g, with an upper charge/discharge plateau at around 4.0 V, and one lower at around 2.5 V.

25 ENERGY STORAGE↗
DOE OSTI2024

ε-VOPO 4 cathode for lithium ion batteries

The epsilon polymorph of vanadyl phosphate, ε-VOPO 4 , made from the solvothermally synthesized H 2 VOPO 4 , is a high density cathode material for lithium-ion batteries optimized to reversibly intercalate two Li-ions to reach the full theoretical capacity at least 50 cycles with a coulombic efficiency of 98%. This material adopts a stable 3D tunnel structure and can extract two Li-ions per vanadium ion, giving a theoretical capacity of 305 mAh/g, with an upper charge/discharge plateau at around 4.0 V, and one lower at around 2.5 V.

Siu, Carrie↗
DOE OSTI2025

Hybrid polymer network for soluble-polysulfide-free lithium-sulfur battery

The present disclosure relates to a sulfur-based cathode material for lithium–sulfur (Li–S) batteries, and more particularly to a sulfurized hybrid polymer network. This invention addresses challenges associated with the dissolution of intermediate polysulfides during electrochemical cycling, which commonly result in rapid capacity fading and poor long-term stability in Li–S batteries.

Wang, Donghai [Pennsylvania State Univ., Universit↗
DOE OSTI2023

Development & Validation of Low-Cost, Highly-Durable, Spinel-Based Materials for SOFC Cathode-Side Contact (Final Report)

A cathode-side contact layer is required to provide and maintain stable electrical conduction paths between the interconnect and cathode in a solid oxide fuel cell (SOFC) stack assembly and thus minimize the ohmic resistance and stack power loss. Current cathode-interconnect contact materials are based on noble metals, electrically-conductive perovskites, their composite materials, etc. These materials are either too expensive or do not possess the overall balanced performance required for the cathode-side contact application. To achieve the DOE SOFC system cost and performance stability goals, a new generation of low-cost, high-performance contact materials needs to be developed. In this project, spinel-based materials thermally converted from the Fe-Ni and Co-Mn based alloy precursors were developed and validated for the cathode-side contact application. The precursor alloy compositions were optimized via a combination of composition screening in the (Ni,Fe) 3 O 4 and (Mn,Co) 3 O 4 spinel system, alloy design using physical metallurgy principles, and cost considerations. The alloy powders with the desired composition and particle size were manufactured via gas atomization. The optimal process parameters for thermal conversion of these alloy precursor layers to a spinel-based layer were identified, i.e., 900°C x 2h in air, which is close to the initial stack firing condition. The area-specific resistances (ASRs) of the interconnect/contact/cathode test assemblies with the developed contact layer were determined for various durations (up to 5000 h) under simulated cathodic operation conditions. Some of the alloy-derived spinel contacts exhibited the lowest ASR and ASR degradation rate. The in-stack performance of the most promising alloy-derived contact layer is currently being evaluated via stack testing. To reduce the stack cost, the Co-Mn based alloy powders were utilized as the precursor for synthesis of dense spinel-based interconnect coating. By optimizing both the initial powder size/distribution and the alloy powder composition, a dense (Mn,Co) 3 O 4 -based spinel coating was achieved. Furthermore, co-sintering of the coating/contact dual-layer structure under the initial stack firing condition was realized by utilizing the tailored Co-Mn alloy precursors. Cost analysis of the developed technology indicated a total stack cost reduction of around 10.6% with the implementation of co-sintering of the interconnect coating and the contact layer during initial stack firing. Since low-cost processes such as screen printing is utilized in the precursor application and no reduction heat treatment is needed for the coating formation, the developed technology can be readily implemented at the industrial partner’s manufacturing facilities with no additional capital investment needed.

08 HYDROGEN↗
DOE OSTI2023

Life-cycle analysis of battery metal recycling with lithium recovery from a spent lithium-ion battery

Demand for critical materials (nickel, cobalt, manganese [NCM], and lithium) for use in batteries is increasing rapidly due to the expansion of the battery-electric vehicles market. Battery metal recycling (BMR) is an important technology that can potentially realize environmental and economic benefits in cathode active material (LiNi x Mn y Co z O 2 ) production using recycled materials. While current major battery recycling technologies recover cathode materials (NCM) and other metals (steel, aluminum, copper, etc.) from the spent battery, the lithium (Li) recovery rate is less than 1% in the world. In this study, we analyze the environmental benefits of a BMR process that recovers lithium in the form of lithium hydroxide monohydrate (LiOH∙H 2 O) along with other cathode materials. Using life-cycle analysis (LCA), we evaluate the life-cycle greenhouse gas (GHG) emissions, criteria air pollutant emissions, and water consumption of the new BMR technology in terms of lithium hydroxide production and cathode active material production. The LCA results show that the life-cycle GHG emissions recycled LiOH are 37–72% lower than those of virgin LiOH production from Chilean brine and Australian ore, respectively. In addition, the life-cycle GHG emissions of NCM811 produced using the recycled materials are 40–48% lower compared to virgin cathode active material production. Furthermore, recovering lithium from the spent batteries reduces associated air pollutant emissions and water consumption relative to using the virgin materials or materials from other recycling technologies without LiOH recovery.

25 ENERGY STORAGE↗
DOE OSTI2025

Primary material supply configurations and domestic recycling for cost-effective battery material production in the US

Battery cathode active material costs hinge on regionally concentrated, price-volatile metal supply. Here. we construct a regional facility-level cost model based on over 80 global lithium, cobalt, and nickel mines, refineries, and battery-grade material plants. Our model yields aggregated lithium, nickel, manganese, and cobalt production material costs from 392 region-based supply configurations for five different cathode active materials. Focusing on the United States, all-domestic supply is 9–34% costlier than global average, increasing by cobalt content, while these shortfalls can be overcome by selective low-cost material imports. Furthermore, we analyze costs of two U.S.-based recycling facilities from primary data and techno-economic modelling and compare resulting cathode active material-level costs to primary supply. Although it is still significantly higher on cathode active material cost-level, rising end-of-life flows and lowered black-mass prices will, however, make secondary supply cost-competitive to domestic and foreign primary supply cost floors. Facility-level benchmarks reveal targeted import, scaling, and production cost optimization as levers for a resilient, cost-effective U.S. battery-material supply chain.

Energy↗
DOE OSTI2024

Eliminating chemo-mechanical degradation of lithium solid-state battery cathodes during >4.5 V cycling using amorphous Nb2O5 coatings

Abstract Lithium solid-state batteries offer improved safety and energy density. However, the limited stability of solid electrolytes (SEs), as well as irreversible structural and chemical changes in the cathode active material, can result in inferior electrochemical performance, particularly during high-voltage cycling (>4.3 V vs Li/Li + ). Therefore, new materials and strategies are needed to stabilize the cathode/SE interface and preserve the cathode material structure during high-voltage cycling. Here, we introduce a thin (~5 nm) conformal coating of amorphous Nb 2 O 5 on single-crystal LiNi 0.5 Mn 0.3 Co 0.2 O 2 cathode particles using rotary-bed atomic layer deposition (ALD). Full cells with Li 4 Ti 5 O 12 anodes and Nb 2 O 5 -coated cathodes demonstrate a higher initial Coulombic efficiency of 91.6% ± 0.5% compared to 82.2% ± 0.3% for the uncoated samples, along with improved rate capability (10x higher accessible capacity at 2C rate) and remarkable capacity retention during extended cycling (99.4% after 500 cycles at 4.7 V vs Li/Li + ). These improvements are associated with reduced cell polarization and interfacial impedance for the coated samples. Post-cycling electron microscopy analysis reveals that the Nb 2 O 5 coating remains intact and prevents the formation of spinel and rock-salt phases, which eliminates intra-particle cracking of the single-crystal cathode material. These findings demonstrate a potential pathway towards stable and high-performance solid-state batteries during high-voltage operation.

Science & Technology - Other Topics↗
DOE OSTI2022

Battery materials scale-up and processes

A cathode active material precursor for a lithium metal oxide is provided. The cathode active material precursor comprises a metal-containing oxyhydroxide. The metal-containing oxyhydroxide comprises nickel and an additional metal. At least 50 mol. % of the nickel of the metal-containing oxyhydroxide has an oxidation state of +3. A method of forming a cathode active material precursor is also provided. The method comprises combining a nickel-containing compound, an additional metal-containing compound, an oxidizing agent, and a solvent to form a solution. The method further comprises exposing the solution to heat at a temperature of from about 30° C. to about 90° C. to form a precipitate comprising the metal-containing oxyhydroxide.

Belharouak, Ilias↗
DOE OSTI2025

Reciprocal Ternary Molten Salts Enable the Direct Upcycling of Spent Lithium‐Nickel‐Manganese‐Cobalt Oxide (NMC) Mixtures to Make NMC 622

Cathode active material is the most valuable component of spent lithium‐ion batteries, accounting for ≈30% of their overall value. Direct recycling of cathode materials involves recovering, regenerating, and reusing them without breaking down their chemical structure. This approach maximizes the added value of the cathode compound and reduces manufacturing costs by avoiding the need for virgin material production. However, one key challenge in scaling direct recycling from lab to industry is the requirement for highly purified cathode materials, contrasting with the low purity of black mass generated from battery shredding. No efficient separation process currently exists to isolate different lithium‐nickel‐manganese‐cobalt oxides (NMCs) from each other. Thus, direct recycling technologies that can operate with mixtures of multiple NMC stoichiometries will be best‐suited for industrial adoption. This study explores the direct recycling of NMC mixtures into NMC 622 using a “reciprocal ternary molten salts (RTMS)” system. Ionothermal relithiation and upcycling within the RTMS system successfully restore the layered structure, lithium content, and electrochemical performance of degraded NMCs, yielding results comparable to pristine NMC 622 (P‐NMC 622).

25 ENERGY STORAGE↗
DOE OSTI2025

Mitigating Cyclable Li‐Ion Inventory Loss in Full Cells with Mn‐Rich Disordered Rocksalt Cathodes

Lithium (Li)- and manganese (Mn)-rich disordered rock salt (DRX) materials are promising cathode materials for next-generation Li-ion batteries. Although these cathode materials are Li-ions rich in their pristine state, their incorporation into full cells results in challenges with maintaining Li-ion inventory during cycling. Herein, the degradation mechanisms of DRX materials in different DRX||Graphite full cells are reported. It is found that DRX electrodes contain Li impurities, primarily due to the environmental sensitivity of mechanochemically synthesized DRX materials during sample transfer and storage. In addition, the structural instability of DRX triggers Mn dissolution. Dissolved Mn ions react with exposed Li x C y compounds and induce electrolyte decomposition on the anode, further depleting Li-ion inventory. Control experiments involving the pre-addition of Mn 2+ provide clear evidence of the impact of Mn dissolution on Li-ion inventory. The electrochemical activation process can stabilize DRX, alleviate Mn dissolution and thus mitigate the loss of Li-ion inventory. These mechanistic insights inform the development of chemical pre-lithiation and electrolyte additive strategies to collectively passivate interfaces, mitigate the effects of trace dissolved Mn ions, and preserve Li-ion inventory. Ultimately, the DRX||Graphite full cell achieves highly reversible electrochemical reactions with a high capacity retention. This study fills a research gap in DRX-based full cells and provides insights into degradation mechanisms and optimization strategies for their practical use.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Pressure Heterogeneity and Material Utilization in Thin-Film Solid-State Cathodes

Intimate interfacial contact between the solid electrolyte and the cathode active material is critical for maximizing cathode utilization in solid-state batteries. However, volume changes during electrochemical cycling induce internal stresses that drive interfacial degradation, particularly under nonuniform stack pressure. In this study, we employ in situ energy-dispersive X-ray diffraction tomography to visualize and quantify reaction heterogeneities across a 3 mm-diameter solid-state cathode with a well-defined interface. Our results reveal that regions under a lower stack pressure exhibit reduced material utilization and reversibility, which negatively affect the high-pressure regions. Interfacial degradation further impedes lithium-ion transport and amplifies microscale reaction heterogeneity. These findings highlight the critical role of stack pressure distribution in governing interfacial stability and electrochemical performance, offering important design insights into practical solid-state battery systems.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Tangent gradient concentration material for battery, digital gradient concentration material for battery

The invention provides a cathode active material having a discrete change in concentrations of a first base region and a second pulse region. Also provided is a method for preparing a cathode active material, the method having the steps: supplying chelating agent, aqueous basic solution and a first aqueous metal salt solution to a reactor to create a base region; supplying a second aqueous metal-salt solution to a reactor to form a pulse region, wherein the second aqueous metal-salt solution is intermittently or continuously added during or after the creation of the base region; thermally treating the base region and the pulse region to create active metal precursors; mixing the precursors with lithium salt to produce a mixture; and thermally treating the mixture.

Shin, YoungHo↗
DOE OSTI2020

Estimating the cost and energy demand of producing lithium manganese oxide for Li-ion batteries

Lithium Manganese Oxide (LMO) is one of the important cathode active materials used in lithium ion batteries of several electric vehicles. In this paper, the production of LMO cathode material for use in lithium-ion batteries is studied. Spreadsheet-based process models have been set up to estimate and analyze the factors affecting the cost of manufacturing, the energy demand, and the environmental impact. Two processes based on the solid-state synthesis method and a sol-gel method have been explored. Results show that the solid-state process is more cost-effective because of its lower cost of raw materials. The production cost for a solid-state process is $7 kg -1 and requires 6 kWh·kg -1 of energy. The pack level cost of electric vehicle battery using LMO as a primary active material is studied as a function of LMO production cost and other parameters. The potential for reducing the cost of automotive batteries to $100 per kWh is explored in terms of LMO price and plant production volume (economy of scale), using Argonne’s BatPaC spreadsheet tool.

25 ENERGY STORAGE↗
DOE OSTI2025

Examples of X-Ray Characterization Techniques in Energy Storage Research

Lithium-ion batteries have revolutionized the portable electronics and transportation sectors. Their performance is often critically dependent on the crystal structures of the anode and cathode electrode materials, which must enable the transport and reversible storage of lithium ions into and out of the lattice. Because lithium is a low-Z element, characterization of materials for lithium-ion batteries can be particularly challenging. Regardless, X-ray techniques enable analysis of material structures to better understand how battery materials perform and degrade, particularly when combined with other materials characterization and electrochemical characterization techniques. While X-ray techniques are most often used in battery research for phase identification of crystal structures, X-ray characterization techniques are also used for a wide variety of other purposes. I will discuss several examples from my research with various collaborators on several projects that highlight the impact that X-ray characterization techniques can have on battery research. The first example will focus on low-temperature microwave-assisted solvothermal synthesis of vanadium-doped LiFePO4 cathode materials for lithium-ion batteries. (1,2) Through a combination of electrochemical and materials characterization, we determined that low temperature synthesis resulted in metastable phases that enabled incorporation of higher dopant levels than resulting from high-temperature synthesis of thermodynamically stable phases. Rietveld refinement of X-ray diffraction data enabled understanding of how lattice parameters changed with doping levels and synthesis temperature. X-ray absorption near edge spectroscopy enabled understanding of the vanadium and iron oxidation states to confirm how vacancies in the structure caused by doping were charge compensated. This was important to understand because the literature suggests doping can improve LiFePO4 electrical conductivity, which improves battery charge and discharge rates. The second example will focus on understanding residual strain in lithium metal anodes. Lithium-ion batteries typically use graphite anodes, but the charge-storage capacity can be theoretically improved ~10x by using lithium metal as the anode material instead. However, lithium anodes suffer from growth of high-aspect-ratio features, such as dendrites, that can pierce nanoporous polymer separators and lead to short circuits and fires. External pressure is commonly applied to cells to enable better morphological control. We hypothesized that applied pressure may promote strain and possibly work hardening during electrochemical cycling, which motivated us to look for evidence of residual strain in lithium metal cycled under applied pressure using X-ray diffraction and sin2(..psi..) analysis. We found that lithium electrodeposited under high pressure exhibited in-plane compressive strain and that that lithium electrodeposited under low pressure did not. (3) The residual strain that accompanies electrodeposition under high pressure may lead to work hardening, which may explain how a soft metal like lithium can puncture separators and why higher pressure does not always decrease short circuits. (4-6) References: 1) Harrison, K. L.; Manthiram, A. Microwave-Assisted Solvothermal Synthesis and Characterization of Metastable LiFe1- x (VO) x PO4 Cathodes. Inorganic chemistry 2011, 50(8), 3613-3620. 2) Harrison, K. L.; Bridges, C. A.; Paranthaman, M. P.; Segre, C. U.; Katsoudas, J.; Maroni, V. A.; Idrobo, J. C.; Goodenough, J. B.; Manthiram, A. Temperature Dependence of Aliovalent-Vanadium Doping in LiFePO4 Cathodes. Chemistry of Materials 2013, 25(5), 768-781. 3) Rodriguez, M. A.; Harrison, K. L.; Goriparti, S.; Griego, J. J.; Boyce, B. L.; Perdue, B. R. Use of a Be-Dome Holder for Texture and Strain Characterization of Li Metal Thin Films via Sin2 (..psi..) Methodology. Powder Diffraction 2020, 35(2), 89-97. 4) Jungjohann, K. L.; Gannon, R. N.; Goriparti, S.; Randolph, S. J.; Merrill, L. C.; Johnson, D. C.; Zavadil, K. R.; Harris, S. J.; Harrison, K. L. Cryogenic Laser Ablation Reveals Short-Circuit Mechanism in Lithium Metal Batteries. ACS Energy Letters 2021, 6(6), 2138-2144. 5) Harrison, K. L.; Merrill, L. C.; Long, D. M.; Randolph, S. J.; Goriparti, S.; Christian, J.; Warren, B.; Roberts, S. A.; Harris, S. J.; Perry, D. L. Cryogenic Electron Microscopy Reveals That Applied Pressure Promotes Short Circuits in Li Batteries. Iscience 2021, 24(12). 6) Harrison, K. L.; Goriparti, S.; Merrill, L. C.; Long, D. M.; Warren, B.; Roberts, S. A.; Perdue, B. R.; Casias, Z.; Cuillier, P.; Boyce, B. L. Effects of Applied Interfacial Pressure on Li-Metal Cycling Performance and Morphology in 4 M LiFSI in DME. ACS Applied Materials & Interfaces 2021, 13(27), 31668-31679.

batteries↗
DOE OSTI2026

Ionic liquid-enhanced recycling of lithium-ion battery black mass via heavy liquid centrifugal separation

Direct recycling of lithium-ion batteries (LIBs) is of great significance to supply chain security and environmental protection by restoring spent battery materials to their original purpose without destroying their chemical structure. One of the key processes for direct recycling is to separate valuable anode and cathode active materials from black mass. This study evaluates ionic liquid-enhanced Heavy Liquid Centrifugal Separation (HLCS) as an efficient method for separating LIB black mass into its constituent anode and cathode materials. The optimized HLCS process achieved a separation efficiency of over 95%, yielding a graphite-rich upper layer and an NMC-rich lower layer. Characterization by thermogravimetric analysis (TGA), X-ray diffraction (XRD), and inductively coupled plasma-optical emission spectroscopy (ICP-OES) confirmed the purity and structural integrity of the recovered fractions. The addition of N-methyl-2-pyrrolidone and ionic liquid 1-ethyl-3-methylimidazolium bromide decoupled entangled particles, while subsequent treatment of the anode layer with 1-(2,3-dihydroxypropyl)-3-methylimidazolium chloride further enhanced separation purity. The recycled graphite exhibited comparable battery performance to pristine graphite. These results demonstrate HLCS as a promising LIB recycling strategy, advancing sustainable battery manufacturing.

Adigun, Babafemi [Univ. of Tennessee, Knoxville, T↗
DOE OSTI2023

Review—Earth-Abundant, Mn-Rich Cathodes for Vehicle Applications and Beyond: Overview of Critical Barriers

Broadening the portfolio of cathode active materials for Li-ion battery applications is now more important than ever. Recent focus on enabling diversity and security in supply chains, as well as concerns over sustainability of a massively growing energy storage market, have put emphasis on enabling more Earth-abundant cathode materials as an attractive strategy. With respect to relatively near-term options, manganese-based cathodes are particularly interesting. In this work, we discuss some of the challenges associated with advancing the development of manganese-based oxides and, in particular, those that take advantage of complex local structures and/or over-lithiated compositions. Discussion centers on the representative, lithium- and manganese-rich class of cathodes and considerations to future development are given that range from the atomic-scale to the electrode level.

25 ENERGY STORAGE↗