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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

High energy density secondary lithium batteries

A lithium ion battery includes a positive electrode comprising carbon fibers, a binder composition with conductive carbon, and a lithium rich composition. The lithium rich composition comprises at least one selected from the group consisting of Li 1+x (My Mz II Mw III )O 2 where x+y+z+w = 1, and where M, M II and M III are interchangeably manganese, nickel and cobalt, and LiM* 2-x M x * II O 4 , where M* and M* II are manganese and nickel, respectively, with x = 0.5. A negative electrode comprises carbon fibers having bound thereto silicon nanoparticles, and a mesophase pitch derived carbon binder between the silicon nanoparticles and the carbon fibers. An electrolyte is interposed between the positive electrode and the negative electrode. Methods of making positive and negative electrodes are also disclosed.

Nanda, Jagjit↗
DOE OSTI2021

Selective cobalt and nickel electrodeposition for lithium-ion battery recycling through integrated electrolyte and interface control

Abstract Molecularly-selective metal separations are key to sustainable recycling of Li-ion battery electrodes. However, metals with close reduction potentials present a fundamental challenge for selective electrodeposition, especially for critical elements such as cobalt and nickel. Here, we demonstrate the synergistic combination of electrolyte control and interfacial design to achieve molecular selectivity for cobalt and nickel during potential-dependent electrodeposition. Concentrated chloride allows for the speciation control via distinct formation of anionic cobalt chloride complex (CoCl 4 2- ), while maintaining nickel in the cationic form ([Ni(H 2 O) 5 Cl] + ). Furthermore, functionalizing electrodes with a positively charged polyelectrolyte (i.e., poly(diallyldimethylammonium) chloride) changes the mobility of CoCl 4 2- by electrostatic stabilization, which tunes cobalt selectivity depending on the polyelectrolyte loading. This strategy is applied for the multicomponent metal recovery from commercially-sourced lithium nickel manganese cobalt oxide electrodes. We report a final purity of 96.4 ± 3.1% and 94.1 ± 2.3% for cobalt and nickel, respectively. Based on a technoeconomic analysis, we identify the limiting costs arising from the background electrolyte, and provide a promising outlook of selective electrodeposition as an efficient separation approach for battery recycling.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Enhancing nanostructured nickel-rich lithium-ion battery cathodes via surface stabilization

Layered, nickel-rich lithium transition metal oxides have emerged as leading candidates for lithium-ion battery (LIB) cathode materials. High-performance applications for nickel-rich cathodes, such as electric vehicles and grid-level energy storage, demand electrodes that deliver high power without compromising cell lifetimes or impedance. Nanoparticle-based nickel-rich cathodes seemingly present a solution to this challenge due to shorter lithium-ion diffusion lengths compared to incumbent micrometer-scale active material particles. However, since smaller particle sizes imply that surface effects become increasingly important, particle surface chemistry must be well characterized and controlled to achieve robust electrochemical properties. Moreover, residual surface impurities can disrupt commonly used carbon coating schemes, which result in compromised cell performance. Using x-ray photoelectron spectroscopy, here we present a detailed characterization of the surface chemistry of LiNi0.8Al0.15Co0.05O2 (NCA) nanoparticles, ultimately identifying surface impurities that limit LIB performance. With this chemical insight, annealing procedures are developed that minimize these surface impurities, thus improving electrochemical properties and enabling conformal graphene coatings that reduce cell impedance, maximize electrode packing density, and enhance cell lifetime fourfold. Overall, this work demonstrates that controlling and stabilizing surface chemistry enables the full potential of nanostructured nickel-rich cathodes to be realized in high-performance LIB technology.

Lim, Jin-Myoung↗
DOE OSTI2023

Solid-state interphases design for high-safety, high-voltage and long-cyclability practical batteries via ethylene carbonate-free electrolytes

In this study, ethylene carbonate (EC) plays a crucial role in current electrolytes for batteries. However, EC reacts exothermically with the electrode to trigger thermal runaway and undergoes continuous oxidative decomposition at high voltages, hindering it application for next-generation batteries. Here we report a simple and effective strategy to design sulfolane(SL)-based electrolyte with reshaped anions-dominated solvation structure, forming highly stable inorganic-dominated electrode-electrolyte interphases that efficiently stabilize nickel-rich cathode and graphite anode. Compared with the conventional electrolyte, practical pouch-type LiNi 0.8 Co 0.1 Mn 0.1 O 2 |Graphite cell with SL-based electrolyte significantly improve self-generated heat T 1 and thermal runaway triggering T 2 by 9.6 and 42.0 °C, respectively. More surprisingly, the pouch cell with SL-based electrolyte exhibits outstanding capacity retention of 88 % after 1000 cycles charged up to 4.5 V. The study brings new insights for unlocking advanced electrolyte candidates to build next-generation practical safer high-energy batteries.

25 ENERGY STORAGE↗
DOE OSTI2021

Zinc-Doped High-Nickel, Low-Cobalt Layered Oxide Cathodes for High-Energy-Density Lithium-Ion Batteries

High-Ni layered oxides with Ni contents greater than 90% are promising cathode candidates for high-energy-density Li-ion batteries. However, drastic electrode-electrolyte reactions and mechanical degradation issues limit their cycle life and practical viability. We demonstrate here that LiNi 0.94 Co 0.04 Zn 0.02 O 1.99 (NCZ), obtained by incorporating 2 mol% Zn 2+ into an ultrahigh-Ni baseline cathode material LiNi 0.94 Co 0.06 O 2 (NC), delivers superior cell performance. NCZ retains 74% of the initial capacity after 500 cycles in full cell assembled with graphite anode, outperforming NC (62% retention). NCZ also possesses a higher average discharge voltage relative to NC with an outstanding average voltage retention of over 99% after 130 cycles in half cells. Bulk structural investigations unveil that Zn doping promotes a smoother phase transition, suppresses anisotropic lattice distortion, and maintains the mechanical integrity of cathode particles. Furthermore, NCZ shows an enhanced interphase stability after long-term cycling, in contrast to the seriously degraded surface chemistry in NC. Finally, this work provides a practically viable approach for designing higher-energy-density high-Ni layered oxide cathodes for lithium-ion batteries.

25 ENERGY STORAGE↗
DOE OSTI2025

Assessing the coating implications of slurry formulations in NCMA and LFMP blend cathodes for lithium-ion batteries

This paper investigates the implications of slurry formulations and electrode processing on the performance of lithium-ion battery (LIB) cathodes, focusing on Nickel Cobalt Manganese Aluminum (NCMA) and Lithium Ferro Manganese Phosphate (LFMP) blends. Through a comprehensive examination of electrode processing steps, from material selection to coating application, we elucidate the critical role of processing parameters in shaping electrode morphology and electrochemical behavior. Rheological studies reveal the influence of slurry composition on viscosity and flow behavior, highlighting the importance of achieving optimal rheological properties for uniform coating deposition. Electrochemical characterization, including cyclic voltammetry and rate capability tests, unveils the electrochemical behavior of NCMA, LFMP, and their blend, showcasing the synergistic effects of material blending on battery performance. In conclusion, our findings underscore the intricate relationship between slurry formulation, electrode processing, and LIB performance, offering valuable insights for the design and optimization of high-performance electrode materials for next-generation batteries.

25 ENERGY STORAGE↗
DOE OSTI2021

A Cobalt– and Manganese–Free High–Nickel Layered Oxide Cathode for Long–Life, Safer Lithium–Ion Batteries

High-nickel LiNi 1–x–y Mn x Co y O 2 and LiNi 1–x–y Co x Al y O 2 cathodes are receiving growing attention due to the burgeoning demands on high-energy-density lithium-ion batteries. The presence of both cobalt and manganese in them, however, triggers multiple issues, including high cost, high toxicity, rapid surface deterioration, and severe transition-metal dissolution. Herein, a Co- and Mn-free ultrahigh-nickel LiNi 0.93 Al 0.05 Ti 0.01 Mg 0.01 O 2 (NATM) cathode that exhibits 82% capacity retention over 800 deep cycles in full cells, outperforming two representative high-Ni cathodes LiNi 0.94 Co 0.06 O 2 (NC, 52%) and LiNi 0.90 Mn 0.05 Co 0.05 O 2 (NMC, 60%) is presented. It is demonstrated that a titanium-enriched surface along with aluminum and magnesium as the stabilizing ions in NATM not only ameliorates unwanted side reactions with the electrolyte and structural disintegrity, but also mitigates transition-metal dissolution and active lithium loss on the graphite anode. As a result, the graphite anode paired with NATM displays an ultrathin (≈8 nm), monolayer anode-electrolyte interphase architecture after extensive cycling. Furthermore, NATM displays considerably enhanced thermal stability with an elevated exothermic temperature (213 °C for NATM vs 180 and 190 °C for NC and NMC, respectively) and remarkably reduced heat release. This work sheds light on rational compositional design to adopt ultrahigh-Ni cathodes in lithium-based batteries with low cost, long service life, and improved thermal stability.

25 ENERGY STORAGE↗
DOE OSTI2025

Delineating the Factors Impacting the Electrochemical Behavior of Single-Crystal High-Nickel Layered Oxide Cathodes

High-nickel (Ni) (≥80%) single-crystal LiNi 1-x-y Mn x Co y O 2 (NMCs) have garnered recent interest as cathodes in lithium (Li)-ion batteries (LIBs). However, capacity fade at high voltages, particularly after the onset of the H2–H3 phase transition, hampers their viability. In this study, single-crystal LiNi 0.8 Mn x Co 0.2-x O 2 (x = 0.2, 0.1, 0) are synthesized and tested in LiPF 6 in ethyl methyl carbonate-based electrolytes, with and without monofluoroethylene carbonate and LiF 2 PO 2 additives, to clarify the effects of Co/Mn ratio and surface stabilization on high-voltage cycling degradation. By imposing a kinetic barrier to the accessible H2–H3 capacity, surface reconstruction is identified as the primary driver of high-voltage capacity loss, being greater in the Co-free cathode and in the absence of fluorinated electrolyte components. This is attributed to a synergy between increased mechanical stress due to worsened bulk and interfacial H2–H3 kinetics and decreased interfacial stability due to the poor passivating capability of the electrolyte. Here, the findings highlight the importance of limiting cathode impedance growth during high-voltage cycling, which can be achieved by tuning bulk dopants and electrolyte chemistry.

25 ENERGY STORAGE↗
DOE OSTI2021

Damage Modeling of Solid Oxide Fuel Cells Accounting for Redox Effects

This work applies a multiscale mechanistic damage model developed for brittle ceramics and implemented in commercial finite element (FE) packages via user subroutines to study progressive damage in solid oxide fuel cells (SOFC) subjected to thermomechanical loading under normal operating and shutdown conditions including redox effects. The damage model captures the micromechanics of stiffness reduction due to material porosity change and microcracking and integrates the as-obtained stiffness reduction law into a continuum damage mechanics (CDM) formulation for the evolution of microcracks up to fracture. The volumetric “swelling” that occurs during redox is treated in constitutive modeling similarly to thermal expansion, but swelling strains are irreversible. Furthermore, this damage model was first validated through predictions of strength and stress-strain response for the SOFC electrode materials. Next, it has been applied to predict the potential for degradation in a generic planar SOFC stack with large active area cells. Multicell stack models were simulated in both co-flow and counter-flow configurations. In addition, a constant temperature redox cycle was also simulated to capture overall cell electrode damage due to volumetric swelling of the nickel (Ni)-based anode in the anode-supported cells.

25 ENERGY STORAGE↗
DOE OSTI2022

Nickel Hydroxide Nanofluid Cathodes with High Solid Loadings and Low Viscosity for Energy Storage Applications

Nanofluid electrodes with high loading of active solid materials have significant potential as high energy density flow battery electrolytes; however, two key criteria need to be met: they must have a manageable viscosity for pumping and simultaneously exhibit good electrochemical activity. A typical dispersion of nickel hydroxide nanoparticles (~100 nm) is limited to 5–10 wt.% of solids, above which it has a paste-like consistency, incompatible with flow applications. We report on the successful formulation of stable dispersions of a nano-scale nickel hydroxide cathode (β-Ni(OH) 2 ) with up to 60 wt.% of solids and low viscosity (32 cP at 25 °C), utilizing a surface graft of small organic molecules. The fraction of grafting moiety is less than 3 wt.% of the nanoparticle weight, and its presence is crucial for the colloidal stability and low viscosity of suspensions. Electrochemical testing of the pristine and modified β-Ni(OH) 2 nanoparticles in the form of solid casted electrodes were found to be comparable with the latter exhibiting a maximum discharge capacity of ~237 mAh/g over 50 consecutive charge–discharge cycles, close to the theoretical capacity of 289 mAh/g.

25 ENERGY STORAGE↗
DOE OSTI2025

Nucleation-promoting and growth-limiting synthesis of disordered rock-salt Li-ion cathode materials

Disordered rock-salt oxides and oxyfluorides are promising positive electrode materials for high-performance lithium-ion batteries free of nickel and cobalt. However, conventional synthesis methods rely on post-synthesis pulverization to achieve cycling-appropriate particle sizes, offering limited control over particle microstructure and crystallinity. This accelerates degradation and complicates secondary particle processing. Here we present a synthesis strategy that enhances nucleation while suppressing particle growth and agglomeration across various disordered rock-salt compositions, including lithium–manganese–titanium oxide, lithium–manganese–niobium oxide, and lithium–nickel–titanium oxide systems. Applied to Li 1.2 Mn 0.4 Ti 0.4 O 2 , this method yields highly crystalline, well-dispersed sub-200 nm particles that form homogeneous electrode films with stable cycling behavior. Tested in cells with lithium metal as the counter electrode, these electrodes deliver ~200 mAh/g with 85% capacity retention relative to the first cycle after 100 cycles (20 mA/g, 1.5–4.8 V), and an average discharge voltage loss of 4.8 mV per cycle, compared to 38.6% retention and 7.5 mV loss per cycle for electrodes derived from pulverized solid-state particles. This approach suggests a route to enhance the performance and durability of disordered rock-salt electrodes for sustainable lithium-ion batteries.

Batteries↗
DOE OSTI2020

Transition-Metal Dissolution from NMC-Family Oxides: A Case Study

In this work we investigated the static reactions of highly delithiated Li(Ni 1/3 Mn 1/3 Co 1/3 )O 2 , Li(Ni 0.5 Mn 0.3 Co 0.2 )O 2 , Li(Ni 0.6 Mn 0.2 Co 0.2 )O 2 , and Li(Ni 0.8 Mn 0.1 Co 0.1 )O 2 positive electrodes with 2,3-butanedione and with tetrabutyl ammonium bifluoride as model leaching agents. In the bifluoride trials, it was found that [Ni] in the leachate was proportional to X Co ( X Ni ) 3 , where X M is the ideal stoichiometry in the bulk oxide, and inversely proportional to ( X Mn ) 2 ; [Mn] to X Co ( X Ni ); and [Co] to X Co . The relationships between metal concentrations and stoichiometry may indicate that nickel, as a next-nearest neighbor on the positive electrode surface, can make dissolution more favorable in some instances.

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

Infiltrated electrodes for metal supported solid oxide electrolysis cells

Metal-supported solid oxide cells (MSOCs) are an alternative to conventional solid oxide cells (SOCs) based on ceramic cermets, offering lower material costs and higher operational flexibility. In this study symmetric MSOCs with infiltrated electrodes are explored for steam electrolysis operation to understand the underlying operation and degradation principles and suggest a direction for future MSOCs development. Two different fuel electrode backbones are used: an electronically-conductive lanthanum strontium co-doped iron nickel titanate (LSFNT) infiltrated with cerium-gadolinium oxide (CGO), or an ionic conductive zirconia based backbone (10ScYSZ) infiltrated with Ni:CGO. At the oxygen side, the backbone is 10ScYSZ, which is infiltrated with lanthanum-strontium co-doped cobalt oxide (LSC), or praseodymium oxide as cobalt-free alternative for comparison. This study suggests that the backbone electronic conductivity is key for good electrochemical performance as well as for boosting cell durability. Highly electronically conductive nanoparticles, especially nickel, were observed to irreversibly agglomerate driven by thermal conditions, whereas CGO proved to be a very stable electrocatalyst. At the fuel side, CGO (LSFNT) electrode showed lower ASR and degradation rate than Ni:CGO(ScYSZ) configuration with measured values of 0.50 Ω cm2 and 11 %/1000 h (at 0.60 A/cm2), and 0.70 Ω cm2 and 26 %/1000 h (at 0.50 A/cm2) at 1.30 V, respectively (700 °C, 50 % steam in hydrogen at the fuel side and air at the oxygen electrode side, LSC(ScYSZ) oxygen electrode).

25 ENERGY STORAGE↗
DOE OSTI2024

High‐Energy LiNiO 2 Li Metal Batteries Enabled by Hybrid Electrolyte Consisting of Ionic Liquid and Weakly Solvating Fluorinated Ether

Abstract In pursuit of the highest possible energy density, researchers shift their focus to the ultimate anode material, lithium metal (Li 0 ), and high‐capacity cathode materials with high nickel content (Ni > 80%). The combination of these aggressive electrodes presents unprecedented challenges to the electrolyte. Here, we report a hybrid electrolyte consisting of a highly fluorinated ionic liquid and a weakly solvating fluorinated ether, whose hybridization structure enables the reversible operation of a battery chemistry based on Li 0 and LiNiO 2 (Ni = 100%), delivering nearly theoretical capacity of the latter (up to 249 mAh g −1 ) for >300 cycles with retention of 78.6% and in absence of unwanted morphological changes in both electrodes. Extensive characterization assisted by molecular dynamic simulation and density functional theory calculations reveals the function of the fluorinated ether to be far more profound than simple dilution and viscosity reduction. Instead, it induces drastic changes in Li + ‐solvation environment, the consequence of which engenders simultaneous stabilization of electrode/electrolyte and interfacing via formation of respective interfacial chemistries. This study further unlocks fundamental knowledge underneath the prevailing “diluent strategy” that is extensively applied by the electrolyte researchers and opens more design space for the next‐generation electrolytes and interphases for these coveted battery chemistries.

25 ENERGY STORAGE↗
DOE OSTI2021

Role of Pr-Vacancies and O-Interstitials on the Activity and Stability of (Pr 1−x Ln x ) 2 NiO 4 (Ln = La, Nd, Pm, Sm, Gd, Tb, Dy, and Ho) towards Oxygen Reduction Reactions: A DFT Study

Praseodymium nickelate, Pr 2 NiO 4 (PNO), is a promising electrode to promote oxygen reduction reaction (ORR) in a solid oxide fuel cell, but it exhibits phase transformation during electrochemical operation. The origin of the simultaneous phase transformation and high electrochemical performance remains obscure. We carried out a systematic density functional theory study to elucidate the mechanism for this conjugated phenomenon. Charge, electronic structure, and normal-mode analysis suggest the presence of peroxide. Our study shows that the formation of peroxide (O 2 2– ) is attributed to both oxygen interstitials and Pr vacancies. The peroxide species limits the oxygen ion migration due to the additional energy required to break its O–O bond, which leads to a decrease in ORR activity. Subsequently, we investigate the diffusion paths of Pr-ions while comparing them with those of other Ln 3+ ions (La, Nd, Pm, Sm, Gd, Tb, Dy, and Ho) in PNO. The formation energies for various Ln 3+ cation occupancies are calculated, as well as segregation energies in CeO 2 (111) surfaces. Lastly, criteria for effective Ln 3+ dopants are developed. La, Nd, and Pm are proposed as potential substituents in PNO to obtain a stable structure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Spatial Interactions in Hydrogenated Perovskite Nickelate Synaptic Networks

A key aspect of how the brain learns and enables decision-making processes is through synaptic interactions. Electrical transmission and communication in a network of synapses are modulated by extracellular fields generated by ionic chemical gradients. Emulating such spatial interactions in synthetic networks can be of potential use for neuromorphic learning and the hardware implementation of artificial intelligence. Here, in this work, we demonstrate that in a network of hydrogen-doped perovskite nickelate devices, electric bias across a single junction can tune the coupling strength between the neighboring cells. Electrical transport measurements and spatially resolved diffraction and nanoprobe X-ray and scanning microwave impedance spectroscopic studies suggest that graded proton distribution in the inhomogeneous medium of hydrogen-doped nickelate film enables this behavior. We further demonstrate signal integration through the coupling of various junctions.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Change of Electrical and Transport Properties of Nickel Oxide by Carrier Concentration and Temperature through First-Principle Calculations

Abstract Nickel is typically used as one of the main components in electrical contact devices or connectors. Nickel oxide (NiO) is usually formed on the surfaces of electrodes and can negatively impact system performance by introducing electrical contact resistance. The thermal, electrical, and transport properties of NiO, as a Mott insulator or a p-type semiconductor, can be altered by operating and environmental conditions such as temperature and stress/strain by contact. In this study, we investigate the fundamental material properties of NiO through the first-principle calculations. First, we obtain and compare the lattice parameter, magnetic moment, and electronic structure for NiO via the WIEN2K simulations with four different potentials (i.e., GGA, GGA + U, LSDA, and LSDA + U). Then, using the WIEN2K simulation results with LSDA + U potential that produces a highly accurate bandgap for NiO, we calculate the electrical conductivity and electrical part of the thermal conductivity of nickel and NiO as a function of temperature and carrier concentration through the BoltzTraP simulations. Systematic simulation results revealed that the electrical conductivity relative to the relaxation time for NiO increases with the carrier concentration, while it shows a slightly decreasing trend with temperature under a fixed carrier concentration. By contrast, the electrical part of the thermal conductivity shows an increasing trend considering carrier concentration and temperature.

Shah, Nayem Md. Reza↗
DOE OSTI2020

Challenges and Strategies to Advance High-Energy Nickel-Rich Layered Lithium Transition Metal Oxide Cathodes for Harsh Operation

Nickel-rich layered lithium transition metal oxides (LiNi 1–x–y Co x Mn y O 2 and LiNi 1–x–y Co x Al y O 2 , x + y ≤ 0.2) are the most attractive cathode materials for the next generation lithium-ion batteries for automotive application. However, they suffer from structural/interfacial instability during repeated charge/discharge, resulting in severe performance degradation and serious safety concerns. Here we provide a comprehensive review about challenges and strategies to advance nickel-rich layered cathodes specifically for harsh (high-voltage, high-temperature, and fast charging) operations. Firstly, the degradation pathways of nickel-rich cathodes including surface/interface degradation, undesired cathode–electrolytes parasitic reactions, gas evolution, inter/intragranular cracking, and electrical/ionic isolation are discussed. Then, recent achievements in stabilizing the structure/interface of nickel-rich cathodes via surface coating, cation/anion doping, composition tailoring, morphology engineering, and electrolytes optimization are summarized. Moreover, challenges and strategies to improve the performance of Ni-rich cathodes at the electrode level are discussed. Outlook and perspectives to promote the practical application of nickel-rich layered cathodes toward automotive application are provided as well.

25 ENERGY STORAGE↗