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Results for “Electrode Microstructure”

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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Defect formation and microstructure tuning via proton irradiation to control electrochemical and phase reversibility in layered battery materials

The reversibility of phase transformation influences the functionality of electrode materials in batteries. In many battery materials, nanosized grains favor phase reversibility but at the cost of cyclability due to aggravated side reactions with the electrolyte. Here, in this study, we present a novel approach to enhance the phase transformation reversibility of layered oxide cathodes, exemplified by Na 2/3 Fe 1/2 Mn 1/2 O 2 through proton irradiation. In addition to forming defects, proton irradiation at sufficiently high doses can subdivide single grains into multiple nanodomains without physically rupturing them. Hence, the single grains of the material assume a pseudo-secondary particle nature without reducing the overall grain size. Preserving the grain size is advantageous, as it reduces side reactions, which is not possible with conventional grain size reduction methods. While chemical transformations and defect formation induced through proton irradiation can influence the stability of battery materials, it is expected that structural reorganization due to cycling-induced phase transformation will be contained within these nanodomains. Such confinement of phase transformation is potentially responsible for enhancing the reversibility of layered oxide materials in our study. Thus, our study suggests that grain subdivision could become an effective microstructure tuning strategy for managing electrochemical cycling-induced phase changes in battery electrodes.

25 ENERGY STORAGE↗
DOE OSTI2024

Correlating aluminum layer deposition rates, Josephson junction microstructure, and superconducting qubits’ performance

An ultra-thin aluminum oxide layer is a key component for Josephson junctions (JJ) in superconducting quantum bits (qubits). This layer serves as a barrier layer for Cooper pairs tunneling between the superconducting electrodes and significantly influences the overall performance of the junction. In this study, we investigate the impact of aluminum deposition rates on the microstructure and chemical variation of the aluminum oxide layer, as well as the device's yields and qubits’ lifetimes. Surprisingly, although the oxide layer roughness and thickness variation improve noticeably with an increasing Al deposition rate from 0.5 Å/s to 5 Å/s, the qubit's coherence time is almost unchanged. We attribute this to the fact that Cooper pairs tunnel only through the thinnest region of the barrier. Additionally, we revealed a stress-induced grain boundary sliding short-circuit failure mechanism in the JJ. Our discovery provides a vital understanding of oxide microstructure and JJ functionality, which are critical for improving the coherence time of superconducting qubits.

Coherence time↗
DOE OSTI2025

Optimization of La 2 NiO 4+δ Electrolysis Cell Oxygen Electrode through Surfactant-Enabled LaCoO 3±δ Nanocatalyst Deposition

Lanthanum nickelate (LNO) has shown promise as a Cr-resistant air electrode material for SOECs but has suboptimal surface oxygen exchange properties. Nanocoating of the LNO surface with lanthanum cobaltite (LCO) was chosen to improve cell performance as a surface oxygen conductor. The work focused on the implementation of a two-step nano-LCO film deposition utilizing catechol molecules in a porous LNO electrode. The subgoals of the work were to maintain nanosized LCO particles/ grains to increase active surface area and to control the regularity/ homogeneity of the coating across the microstructure. To achieve these goals, a novel surfactant-enhanced liquid infiltration method was utilized, where nucleation sites were spread across the electrode structure to control the location and size of LCO particles. Various catechol surfactant compositions were evaluated for their ability to control the kinetics of nanoparticle deposition and the homogeneity of the coating. Chelated LCO was characterized by X-ray diffraction (XRD), which found a substantial improvement in LCO formation with surfactant addition and determined polymerized norepinephrine to be the best-performing surfactant, with 88.4% pure LCO formed at low temperature. X-ray photoelectron spectroscopy (XPS) confirmed LCO nanostructures formed by the two-step infiltration process, showing no impurities and a stable perovskite structure. Deposition kinetics were analyzed using atomic force microscopy (AFM), correlating infiltration times and solution molarity to nanoparticle size and distribution, the results of which were confirmed in symmetrical cell samples by scanning electron microscopy (SEM). Electrochemical impedance spectroscopy (EIS) testing demonstrated substantial improvements in polarization resistance, where the nanocoating reduced the resistance by ∼55% to 0.152 Ω·cm 2 at 700 °C and 0.039 Ω·cm 2 at 800 °C. Electrical conductivity relaxation (ECR) at this temperature confirmed an improved surface oxygen exchange coefficient of the LCO + LNO heterostructure predicted by the Bode data from EIS, alongside a reduction in activation energy by about 30%.

Deposition↗
NASA NTRS1995

Fabrication of advanced electrochemical energy materials using sol-gel processing techniques

Advanced materials play an important role in electrochemical energy devices such as batteries, fuel cells, and electrochemical capacitors. They are being used as both electrodes and electrolytes. Sol-gel processing is a versatile solution technique used in fabrication of ceramic materials with tailored stoichiometry, microstructure, and properties. The application of sol-gel processing in the fabrication of advanced electrochemical energy materials will be presented. The potentials of sol-gel derived materials for electrochemical energy applications will be discussed along with some examples of successful applications. Sol-gel derived metal oxide electrode materials such as V2O5 cathodes have been demonstrated in solid-slate thin film batteries; solid electrolytes materials such as beta-alumina for advanced secondary batteries had been prepared by the sol-gel technique long time ago; and high surface area transition metal compounds for capacitive energy storage applications can also be synthesized with this method.

Chu, C. T.↗
DOE OSTI2025

Advances and perspectives of hard carbon anode modulated by defect/hetero elemental engineering for sodium ion batteries

Sodium-ion batteries (SIBs) serve as a promising complement to lithium-ion batteries for large-scale energy storage, leveraging the abundance of sodium resources and notable safety advantages. The key advancement in SIB industrialization hinges on identifying a cost-effective and high-performance anode material, similar to the graphite anode in lithium-ion batteries. Hard carbon emerges as prime anode materials for SIBs, boasting high specific capacity, low sodium storage potential, and wide availability. However, practical applications of hard carbon encounters challenges such as low initial Coulombic efficiency (ICE), inadequate long-term cycling stability, and poor rate performance. Recent research has focused on the optimization of hard carbon electrodes through functional design. In this comprehensive review, we have meticulously examined the progress in enhancing sodium storage performance through microstructural modulation within hard carbon, encompassing four pivotal aspects: heteroatom doping, incorporation of oxygen functional groups, surface coating, and intrinsic defect engineering. Progress in implementing these strategies is scrutinized, while the merits and challenges of each defect engineering approach are discussed. In conclusion, this review also looks into forthcoming opportunities and challenges in the practical application process of hard carbon electrodes in SIBs.

25 ENERGY STORAGE↗
NASA NTRS1981

Electron reflection and secondary emission characteristics of sputter-textured pyrolytic graphite surfaces

Low secondary and reflected primary electron emission from the collector electrode surfaces is important for optimum collector efficiency and hence for high overall efficiency of microwave amplifier tubes used in communication satellites and in military systems. Ion sputter texturing of the surface effectively suppresses electron emission from pyrolytic graphite, which is a promising collector electrode material. Secondary and reflected primary electron emission characteristics of sputter textured pyrolytic graphite surfaces with microstructures of various sizes and densities are presented. The microstructure with the lowest electron emission levels, less than those of soot, consists of a dense array of tall, thin spires.

Wintucky, E. G.↗
NASA NTRS1982

Sintered plaque characteristics

The structural transformations occurring during sintering, the fabrication of a slurry produced sintered plaque, are detailed. Degradation of the positive electrode in performance in cycling in a nickel hydrogen battery were traced to the quality of the sintered plaque. Electrode degradation was found to be a limiting factor in the battery cycle life. Details of microstructural characterization and distribution of pores, examination of plastic flow during shrinkage, and observations of the rounding of nickel powder particles during the slurry process are presented.

Vaidyanathan, H.↗
NASA NTRS1988

Microstructures in rapidly solidified niobium aluminides

The microstructures of niobium aluminides produced by chill block melt spinning were compared to those of niobium aluminides produced by conventional casting. The rapidly solidified alloys were rapidly solidified by melt spinning in an argon atmosphere, and the melt-spun ribbons were examined by optical, X-ray, and TEM techniques. Microstructures were found to range from single-phase for Nb-75 at. pct Al (NbAl3) to two phase for Nb-46 at. pct Al (NbAl3 + Nb2Al). It was found that the melt spinning of Nb-aluminides produced finer grained microstructures than those produced in induction-melted ingots or in powders produced by the rotating electrode process. Ternary additions such as Cr, Ti, and Si tended to form intermetallic phases along the grain boundaries.

Hebsur, Mohan G.↗
DOE OSTI2025

Heterogeneity of the Dominant Causes of Performance Loss in End-of-Life Cathodes and Their Consequences for Direct Recycling

Recycling Li-ion batteries from electric vehicles is critical for reducing costs and supporting the development of a domestic battery supply chain. Direct recycling of cathodes, like LiNixMnyCozO2 (NMC), is attractive due to its low cost, energy use, and emissions compared to traditional recycling techniques. However, a comprehensive understanding of the active material properties at end-of-life is needed to guide direct recycling processes and the performance-dependent reuse applications. Here, NMC material from an end-of-life commercial pouch cell is characterized and bench-marked against pristine non-cycled counterparts with respect to capacity, impedance, crystallography, morphology, and microstructure to identify major degradation modes and understand variability in the end-of-life material. The spatial heterogeneity of each property throughout the cell is also quantified. While the degraded material demonstrated similar capacity as the pristine, its impedance and rate capability are severely diminished. Furthermore, samples from the periphery of the electrode layers showed more severe performance loss compared to samples extracted from central regions. The dominant culprit of performance loss is the material microstructure, where the magnitude of particle cracking showed the strongest correlation to the impedance components that are most unfavorably impacted. This work suggests severe cracks in cathode active materials are the primary challenge that direct recycling methods must overcome.

25 ENERGY STORAGE↗
DOE OSTI2025

Linking Pressure to Electrochemical Evolution in Solid-State Conversion Cathode Composites

Conversion-type cathodes, such as sulfur, FeS 2 , and FeF 3 , offer high theoretical capacities in solid-state lithium batteries but are hindered by substantial volume changes during cycling, leading to interfacial contact loss, crack formation, and microstructural degradation. Here, we investigate the relationships between electrochemical, mechanical, and structural evolution in solid-state electrode composites with these three active materials. Using real-time stack-pressure monitoring, synchrotron X-ray absorption spectroscopy, and electrokinetic modeling, we elucidate how stress evolution is linked to reversible and irreversible redox reactions. Nonlinear stack pressure evolution in cells with sulfur, FeS 2 , and FeF 3 electrode composites is found to arise from material-specific volume changes, the balance of volume change between the working and counter electrode, and the formation of distinct reaction intermediates. The three materials exhibit distinct stack pressure evolution, which is closely related to the different reaction processes in the materials, as demonstrated with X-ray absorption spectroscopy measurements. Through mesoscale modeling, we relate the experimental measurements to species evolution at the particle scale and track the dynamic coexistence of intermediate phases. Our findings highlight the importance of designing for volume changes of a given active material in solid-state battery systems.

batteries↗
DOE OSTI2025

Dusty Gas Model for Solid Oxide Fuel Cell Fuel Electrode

This model applies the Dusty Gas Model simulate multi-component species transport in SOFC (solid oxide fuel cell) anodes which considers the pressure gradient across the fuel electrode. This studyhas been verified with the analytical solution for different fuel electrode thicknesses and with literature values. The model was developed using the VoronoiFVM platform in Julia which is a built in implicit and semi implicit solver that integrates electrochemical behavior, microstructural effects, and transient analysis for accurate prediction of species transport under varying conditions.

dusty gas model (DGM)↗
NASA NTRS1992

Charge-Carrier-Scattering Spectroscopy With BEEM

Ballistic-electron-emission microscopy (BEEM) constitutes basis of new spectroscopy of scattering of electrons and holes. Pointed tip electrode scans near surface of metal about 100 angstrom thick on semiconductor. Principle similar to scanning tunneling microscope, except metal acts as third electrode. Used to investigate transport phenomena, scattering phenomena, and creation of hot charge carriers in Au/Si and Au/GaAs metal/semiconductor microstructures.

Hecht, Michael H.↗
DOE OSTI2026

Image processing workflow yielding high contrast synchrotron nanoscale computed tomography data from Ni-YSZ electrodes

The operating lifetime of Ni-YSZ fuel electrodes used in solid oxide electrolysis cells and fuel cells (SOECs and SOFCs) is limited by Ni redistribution, one of the primary degradation mechanisms that must be overcome to extend the longevity and maximize the performance of SOECs and SOFCs. To achieve this, 3D microstructural data is needed to relate both initial performance and performance loss over time to microstructural properties and their evolution throughout operation under various conditions. However, 3D microstructure data remains relatively scarce within the literature due to multiple challenges in acquiring and analyzing such data reliably. This work presents a workflow for acquiring and processing synchrotron X-ray nanoscale computed tomography (nano-CT) data from Ni-YSZ electrodes. Parameters for each step in the nano-CT workflow are described up to the final result (a 3D reconstruction), with particular emphasis on image alignment using freely available software. Following the results of a parametric sweep of the image alignment step, high contrast, low signal-to-noise 3D nano-CT data is obtained with relatively short compute times. While the exact methods best suited to samples with different microstructural qualities, or similar Ni-YSZ nano-CT data obtained from other sources may deviate from the solution found herein, this work also generalizes the decision points and evaluation of each step to provide a starting point to adapt this workflow to other datasets.

08 HYDROGEN↗
DOE OSTI2024

Shelf-life of ball-milled catalyst inks for the fabrication of fuel cell electrodes

A major factor driving fuel cell costs is the quantity of precious metal required. Therefore, it is important to understand a timeframe where inks can be reused. Here, in this work, we explore differences between a freshly prepared catalyst ink and one that has been stored for over a year – comparing ink properties, cathode catalyst layer microstructure, and their respective fuel cell performance. Ink studies revealed smaller agglomerate sizes and a decrease in shear viscosity for the aged ink. Longer storage time also results in fewer cracks and a more uniform ionomer distribution, as evidenced by microscopy characterization of rod-coated electrodes. Lastly, polarization curves show improved performance at higher current densities for the electrode prepared from the aged ink. We rationalize such effect in terms of enhanced ionomer adsorption onto the catalyst over time.

08 HYDROGEN↗
NASA NTRS1975

The effect of microstructure and strength on the fracture toughness of an 18 Ni, 300 grade maraging steel

A 300 grade maraging steel was chosen as a vehicle by which to understand the inverse relationship between strength and toughness in high strength alloys such as the 18 Ni maraging steels. The 18 Ni, 300 grade maraging material was a commercial grade consumable-electrode, vacuum arc remelted heat obtained in the form of forged and annealed plate. The matrix contained a population of second-phase impurity inclusions which was a product of the casting and hot working processes. These inclusions did not change with subsequent precipitation hardening. Changes in microstructure resulting in strength increases were brought about by variations in aging temperature and time. Maximum strength was attained in the 300 grade maraging steel by aging at 427 C (800 F) for 100 hours. Tensile, fatigue precracked Charpy impact, and plane-strain fracture toughness tests were performed at room temperature, 20 C (68 F). With increasing strength the fracture toughness decreases as smaller and smaller inclusions act as sites for void initiation.

Psioda, J. A.↗
DOE OSTI2024

Material Discovery and Design Principles of Perovskite Oxides for Reversible Solid Oxide Cells (R-SOC)

Reversible solid oxide cells (R-SOCs) are highly efficient devices for energy conversion and storage, capable of operating for both hydrogen utilization and production. In fuel cell mode, an R-SOC consumes hydrogen or natural gas to generate electricity, while in electrolysis mode, it produces hydrogen from steam. The discover of new materials with rapid oxygen surface exchange kinetics and enduring stability is crucial for the economically viable commercialization of R-SOCs. To facilitate this pursuit, we conducted extensive Density Functional Theory (DFT) calculations and developed Machine Learning (ML) models to predict critical catalytic properties essential for R-SOCs, such as oxygen surface exchange/diffusivity, and area-specific resistance (ASR). BaCoxFeyZrzO3-d(BFCZ)(x+y+z=1) emerged as a promising family of electrode materials with high activity and stability, validated through systematic experimental study. Moreover, a robust numerical multiphysics model was developed to optimize materials and microstructure parameters, providing the ability to predict the performance of functional R-SOCs.

Liu, Jian↗
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 OSTI2026

Modeling Single-Crystal Battery Materials: From Fundamental Understanding to Performance Evaluation

The performance of rechargeable batteries is fundamentally influenced by the physicochemical properties and microstructural features of their key material components. Recent experimental advancements have highlighted the potential of single-crystal (SC) morphologies to address inherent limitations of polycrystalline (PC) electrodes and solid-state electrolytes, offering tunable charge transport kinetics and improved cell cycling performance. Here, this review examines how state-of-the-art computational modeling, from atomistic and mesoscale to continuum-level approaches, including machine learning methodologies, has been utilized to investigate the critical factors governing the electrochemical behavior of SC battery materials. We explore how predictive modeling can elucidate the processing–structure–property–performance relationships of SC cathodes, anodes, and solid-state electrolytes, with a focus on unique SC characteristics such as crystallographic anisotropy, size effects, and facet-dependent properties. Additionally, we identify limitations in commonly used modeling techniques and discuss strategies to address these challenges. By integrating high-fidelity simulations with experimental insights, this review aims to outline a clear path for the rational design and optimization of SC battery components, paving the way for accelerated advancements in energy storage technologies.

Materials science↗