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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

A New Cathode Material for a Li–O 2 Battery Based on Lithium Superoxide

Li–O 2 batteries suffer from large charge overpotentials due to the high charge transfer resistance of Li 2 O 2 discharge products. A potential solution to this problem is the development of LiO 2 -based batteries that possess low charge overpotentials due to the lower charge transfer resistance of LiO 2 . In this report, IrLi nanoparticles were synthesized and implemented for the first time as a LiO 2 battery cathode material. The IrLi nanoparticle synthesis was achieved by a temperature- and time-optimized thermal reaction between a precise ratio of iridium nanoparticles and lithium metal. Li–O 2 batteries employing the IrLi-rGO cathodes were cycled up to 100 cycles at moderate current densities with sustained low cell charge potentials (<3.5 V). Further, various characterization techniques, including SEM, DEMS, TEM, Raman, and titration, were used to demonstrate the LiO 2 discharge product and the absence of Li 2 O 2 . On the basis of first-principles calculations, it was concluded that the formation of crystalline LiO 2 can be stabilized by epitaxial growth on the (111) facets of IrLi nanoparticles present on the cathode surface. These findings demonstrate that, in addition to the previously studied Ir 3 Li intermetallic, the IrLi intermetallic also provides a means by which LiO 2 discharge products can be stabilized and confirms the importance of templating for the formation process.

25 ENERGY STORAGE↗
DOE OSTI2020

Fast Determination of Lithium Content in Spent Cathodes for Direct Battery Recycling

Determination of the lithium ion content in cathode materials, which is currently performed by inductively coupled plasma mass spectrometry (ICP-MS), involves tedious procedures and error-prone preparation. This work introduces a new methodology to quickly determine the lithium content in spent cathode materials (LiNix Mny Coz O2, x + y + z = 1, NMC) using a thermalgravimetric analysis, which bypasses the use of ICP-MS and significantly reduces the cost and time required for determining the lithium content. Based on this new method, a new approach is developed to identify spent cathode materials suitable for direct relithiation recycling. Finally, these new methods have been applied to investigate the effectiveness of direct electrochemical-relithiation on recycling the spent cathodes, and provide insights for future development of direct battery materials recycling.

cathode recycling↗
DOE OSTI2024

Image-Based Failure Assessment of Li-Ion Batteries

In energy storage materials, strong electrochemical-mechanical coupling and highly anisotropic material properties contribute to the formation and propagation of micro-cracking during charge/discharge cycling, resulting in reduced performance and service life. In this work, a digital twin is created to investigate the performance of a heterogeneous Li-ion battery cathode and simulate degradation accumulation. Pixel-based model construction is used to represent the complex material geometries from microstructural images supplied by the National Renewable Energy Laboratory (NREL). Because of the expected large deformation and crack opening, the reproducing kernel particle method (RKPM), a meshfree method with discretization at the image pixels, is used to approximate the field variables: electrostatic potential, concentration, and displacement. An interface modified reproducing kernel (IM-RK) is constructed by scaling a smooth kernel function with an interface-distance function to achieve strategic discontinuity types (i.e. weak discontinuities for strain discontinuities and strong discontinuities for cracks) and alleviate Gibbs oscillations near these transition zones. Applications to the heterogeneous microstructures of Li-ion battery cathodes will be presented to demonstrate the effectiveness of the proposed methods. IM-RK is additionally used to inform how crack evolution in turn affects the coupled electro-chemo-mechanical behavior of the Li-ion battery cathode.

image-based modeling↗
DOE OSTI2025

Cobalt–Nickel Exchange in Exfoliated Battery Layered Cathode Sheets with Application to Recycling

With the emerging dominance of electric vehicles (EV) in the transportation sector, recycling or upcycling spent battery materials will be required to reduce EV costs, lessen waste, and ease critical material supply chain issues for EV batteries. Here, motivated by work in the literature describing the exfoliation of layered oxides, first‐principles calculations are performed to show that Li x CoO 2 , if exfoliated into nanosheets, can readily undergo transition metal cation exchange in aqueous media. The substitution of Co 3+ or Co 4+ cations inside the sheet by Ni 2+ is associated with modest reaction barriers (Δ G* ≈ 0.3–0.7 eV) and is at most mildly endothermic (Δ G ≈ 0.2–0.3 eV). In contrast, previous battery degradation studies have shown that Co 3+ diffusion is strongly inhibited inside bulk layered oxides. This suggests that processing spent layered oxides as nanosheets can provide a potentially low‐energy‐cost pathway to altering the transition metal and/or dopant stoichiometry, which can be used toward developing new room‐temperature upcycling routes for cathodes from end‐of‐life batteries.

battery recycling↗
DOE OSTI2023

Cathode materials for secondary batteries

A cathode material comprising: a cathode active material of formula LiNi x Mn y Co z O 2 or NaNi x Mn y Co z O 2 and having a partial or whole particle concentration gradient, wherein at least two or three elements concentration gradually change in the part or whole particle from the center part to the surface part of the particle (i.e. along a vector radius); 0.5<x≤1, 0≤y≤0.33, 0≤z≤0.33.

Amine, Khalil↗
DOE OSTI2020

Insights into the Cathode–Electrolyte Interphases of High-Energy-Density Cathodes in Lithium-Ion Batteries

Here we present a comprehensive study of cycled high-Ni (LiNi 1–x M x O 2 , M = metals), Li-rich (Li 1+x Mn y M 1–x–y O 2 ), and high-voltage spinel (LiMn 1.5 Ni 0.5 O 4 ) electrodes with time-of-flight secondary ion mass spectrometry (TOF-SIMS) and X-ray photoelectron spectroscopy in conjunction with electrochemical techniques to better understand their evolving cathode–electrolyte interphase structure during cycling. TOF-SIMS provides fragment-specific information regarding the surface film content for each of the electrodes. High-Ni cathodes show thick surface films initially containing Li 2 CO 3 , later developing oxidized organic carbonates throughout cycling. Li-rich electrode surface films develop strong characteristics during their first activation cycles, where released O 2 oxidizes organic carbonates to form polymeric carbons and decomposes LiPF 6 . High-voltage spinel electrodes operate outside the standard electrolyte stability window, generating reactive oxidized electrolyte species that further decompose LiPF 6 . The distribution and concentration of these different chemical fragments measured by TOF-SIMS are finally summarized by color-coded high-resolution images of cycled high-Ni, Li-rich, and high-voltage spinel electrodes.

25 ENERGY STORAGE↗
DOE OSTI2023

Enhancing the Electrochemical Performance of Aqueous Processed Li-Ion Cathodes with Silicon Oxide Coatings

Lithium-ion battery cathode materials suffer from bulk and interfacial degradation issues, which negatively affect their electrochemical performance. Oxide coatings can mitigate some of these problems and improve electrochemical performance. However, current coating strategies have low throughput, are expensive, and have limited applicability. In this article, we describe a low-cost and scalable strategy for applying oxide coatings on cathode materials. Here, we report synergistic effects of these oxide coatings on the performance of aqueously processed cathodes in cells. The SiO 2 coating strategy developed herein improved mechanical, chemical, and electrochemical performance of aqueously processed Ni-, Mn- and Co-based cathodes. This strategy can be used on a variety of cathodes to improve the performance of aqueously processed Li-ion cells.

25 ENERGY STORAGE↗
DOE OSTI2022

Early transition metal stabilized high capacity cobalt free cathodes for lithium-ion batteries

A cathode for a lithium battery includes LiNi 0.5 -x/2Mn 0.5 -x/2M x O 2 where M is at least one selected from the group consisting of Mo, Ti, Cr, Zr and V, and x is between 0.005-0.02. The LiNi 0.5 -x/2Mn 0.5 -x/2M x O 2 can be coated with Mn 2 P 2 O 7 . The Mn 2 P 2 O 7 can be 1-3 wt. %, based on the total weight of the LiNi 0.5 -x/2Mn 0.5 -x/2M x O 2 and Mn 2 P 2 O 7 . A cathode composition, a lithium battery, and a method of making a lithium battery are also disclosed.

25 ENERGY STORAGE↗
DOE OSTI2022

Lithium-sulfur battery with high sulfur loading

A lithium-sulfur battery cathode including conductive porous carbon particles vacuum infused with sulfur and a conductive collector substrate to which the sulfur infused porous carbon particles are deposited. The sulfur infused carbon particles are encapsulated by an encapsulation polymer, the encapsulation polymer having ionic conductivity, electronic conductivity, polysulfide affinity, or combinations thereof. A lithium-sulfur battery including the lithium-sulfur battery cathode, a lithium anode and an electrolyte disposed between the sulfur cathode and the lithium anode is also provided. Methods of producing the sulfur cathode for use in a lithium-sulfur battery by a hybrid vacuum-and-melt method are also provided.

Henslee, Brian E.↗
DOE OSTI2021

Role of Electrolyte in Overcoming the Challenges of LiNiO 2 Cathode in Lithium Batteries

LiNiO 2 (LNO) is a high-capacity and model cathode first discovered in the 1980s that fell out of favor due to its intrinsic instabilities. However, research activities toward LNO are once again on the rise as the push for higher-energy-density cells marches on. Here we demonstrate here that with appropriate modern electrolytes, major performance improvements can be achieved with LNO with no additional modifications. Cells with a localized high concentration electrolyte (LHCE) deliver 92% capacity retention after 200 cycles compared with 56% capacity retention in a baseline carbonate electrolyte, maintain 94% capacity after high-voltage storage compared with 77% capacity, and display a higher onset temperature of thermal runaway of 244 °C compared with 188 °C. These improvements are attributed to the LHCE’s high oxidative stability and its formation of fluorine-rich interphases. Although further characterization of this new class of electrolyte is necessary, this work demonstrates that modern electrolytes can be drop-in enablers of high-capacity, long-cycle-life cells.

25 ENERGY STORAGE↗
DOE OSTI2020

Battery with aluminum-containing cathode

A battery includes an anode chamber configured to contain an anolyte and including an anode, a cathode chamber configured to contain a catholyte including a cathode, and a separator between the anode chamber and the cathode chamber. The anode includes sodium, and the cathode includes aluminum. The battery is configured to be operated above a melting point of the anolyte and the catholyte, such that the anolyte is a molten anolyte and the catholyte is a molten catholyte.

25 ENERGY STORAGE↗
DOE OSTI2024

Deciphering the morphology of transition metal carbonate cathode precursors

The performance and life of Li-ion battery cathode materials are determined by both the composition (crystal structure and transition metal ratio) and the morphology (particle size, size distribution, and surface area). Careful control of these two aspects is the key to long lasting, high-energy batteries that can undergo fast charge. Developing such cathodes requires manipulation of the synthesis conditions, namely the coprecipitation process to develop the precursor and a calcination step to lithiate and convert it to a transition metal oxide. In this paper, we utilize a combination of controlled synthesis, microscopic and spectroscopic characterization, and multi-scale mathematical modeling to shed light on the synthesis of cathode precursors. The complex interplay between the various chemical reactions in the co-precipitation process is studied to provide experimentalists with guidance on achieving composition control during synthesis. Further, the formation of a variety of morphologies of the primary particles and the driving force for agglomeration is mathematically described, for the first time, based on an energy minimization approach. Results suggest that the presence of Ni and/or Co significantly lowers the reaction rate constant compared to Mn, resulting in agglomerated growth in the former and single crystal growth in the latter. Modeling studies are used to provide a phase map describing the synthesis conditions needed to control the secondary particle size and corresponding size distribution. Finally, this paper represents an important step in developing a computationally guided approach to the synthesis of battery cathode materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Fluorinated Rocksalt‐Polyanion Cathode for Lithium‐Ion Batteries

Integrated rocksalt‐polyanion cathodes (DRXPS) are promising candidates for next‐generation lithium‐ion battery cathode materials that combine high energy density, stable cycling performance, and reduced reliance on Co and Ni. In this work, we investigated Li 3 Mn 1.6 P 0.4 O 5.4 F 0.6 , a new DRXPS cathode with fluoride incorporation. A pure spinel phase was formed and a discharge capacity retention of 84% was achieved after 200 cycles between 1.5 and 4.8 V versus Li/Li + . In comparison, the similarly synthesized Li 3 Mn 1.6 Nb 0.4 O 5.4 F 0.6 , in which all P 5+ was substituted by Nb 5+ while maintaining the same stoichiometry for all other elements, crystallized in a disordered rocksalt structure, and exhibited inferior capacity retention and rate capability than the P 5+ counterpart. Our findings expand the compositional space of DRXPS to include F − , justify the viability of integrating polyanion groups in rocksalt‐type cathodes, and highlight the superiority of P 5+ as a cation charge compensator compared to the commonly used Nb 5+ . This work thereby advances the design of robust, high‐performance cathode materials for sustainable batteries.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Image-Based Digital Twin for Assessing the Coupled Electro-Chemo-Mechanical Behavior of Li-Ion Batteries

In energy storage materials, strong electrochemical-mechanical coupling and highly anisotropic material properties contribute to the formation and propagation of micro-cracking during charge/discharge cycling, resulting in reduced performance and service life. In this work, a digital twin is created to investigate the performance of a Li-ion battery cathode and simulate degradation accumulation. Pixel-based model construction is used to represent the complex material geometries from microstructural images supplied by the National Renewable Energy Laboratory (NREL). Because of the expected large deformation and crack opening, the reproducing kernel particle method (RKPM), a meshfree method with discretization at the image pixels, is used to approximate the field variables: electrostatic potential, concentration, and displacement. An interface modified reproducing kernel (IM-RK) is constructed by scaling a smooth kernel function with an interface-distance function to achieve strategic discontinuity types (i.e. weak discontinuities for strain discontinuities and strong discontinuities for cracks) and alleviate Gibbs oscillations near these transition zones. The discrete nature of the images' pixel points is employed throughout the model and approximation construction. The mechanical model is verified using an image-based microstructure under tensile loading. A transient electro-chemo-mechanical coupled simulation is performed to evaluate the potential micro-cracking induced degradation of the battery cathode material subjected to charge/discharge cycling.

battery degradation↗
NASA NTRS2017

Sintered Cathodes for All-Solid-State Structural Lithium-Ion Batteries

All-solid-state structural lithium ion batteries serve as both structural load-bearing components and as electrical energy storage devices to achieve system level weight savings in aerospace and other transportation applications. This multifunctional design goal is critical for the realization of next generation hybrid or all-electric propulsion systems. Additionally, transitioning to solid state technology improves upon battery safety from previous volatile architectures. This research established baseline solid state processing conditions and performance benchmarks for intercalation-type layered oxide materials for multifunctional application. Under consideration were lithium cobalt oxide and lithium nickel manganese cobalt oxide. Pertinent characteristics such as electrical conductivity, strength, chemical stability, and microstructure were characterized for future application in all-solid-state structural battery cathodes. The study includes characterization by XRD, ICP, SEM, ring-on-ring mechanical testing, and electrical impedance spectroscopy to elucidate optimal processing parameters, material characteristics, and multifunctional performance benchmarks. These findings provide initial conditions for implementing existing cathode materials in load bearing applications.

Ceramics↗
DOE OSTI2025

Tetrahedral Lithium Stuffing in Disordered Rocksalt Cathodes for High-Power-Density and Energy-Density Batteries

Li-rich cation-disordered rocksalt (DRX) materials introduce new paradigms in the design of high-capacity Li-ion battery cathode materials. However, DRX materials show strikingly sluggish kinetics due to random Li percolation with poor rate performance. Here, in this study, we demonstrate that Li stuffing into the tetrahedral sites of the Mn-based rocksalt skeleton injects a novel tetrahedron-octahedron-tetrahedron diffusion path, which acts as a low-energy-barrier hub to facilitate high-speed Li transport. Moreover, the enhanced stability of lattice oxygen and the suppression of transition metal migration preserve the efficacy of the Li percolation network during cycling. Overall, the tetrahedral Li stuffing DRX material exhibits high energy density (311 mAh g -1 , 923 Wh kg -1 ) and high power density (251 mAh g -1 , 697 Wh kg -1 at 1000 mA g -1 ). Our results highlight the potential to develop high-performance and earth-abundant cathode materials within the extensive range of rocksalt compounds.

Disordered Rocksalt Cathodes↗